smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C#N ZINC001571393421 1086781274 /nfs/dbraw/zinc/78/12/74/1086781274.db2.gz PDYSXDBRIJYYSQ-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)c1 ZINC001646522925 1087833737 /nfs/dbraw/zinc/83/37/37/1087833737.db2.gz WEMADHMFUUUMSO-JOCHJYFZSA-N 2 2 349.478 2.716 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cc1Cl ZINC001580069510 1090761923 /nfs/dbraw/zinc/76/19/23/1090761923.db2.gz ALKYXYDUTXFISL-KBXCAEBGSA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cc1Cl ZINC001580069510 1090761925 /nfs/dbraw/zinc/76/19/25/1090761925.db2.gz ALKYXYDUTXFISL-KBXCAEBGSA-N 2 2 346.862 2.601 20 30 EFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104412946 1092807619 /nfs/dbraw/zinc/80/76/19/1092807619.db2.gz WATHPVTXXYPELG-UKRRQHHQSA-N 2 2 346.862 2.775 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588656911 1092978885 /nfs/dbraw/zinc/97/88/85/1092978885.db2.gz BRDNZRDFKXUPIB-QGZVFWFLSA-N 2 2 326.448 2.558 20 30 EFEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC001650154855 1092982368 /nfs/dbraw/zinc/98/23/68/1092982368.db2.gz VGWNTRWHMGHDRL-DLBZAZTESA-N 2 2 326.444 2.594 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181003 1095919123 /nfs/dbraw/zinc/91/91/23/1095919123.db2.gz LKRKQFROIPLNER-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181003 1095919135 /nfs/dbraw/zinc/91/91/35/1095919135.db2.gz LKRKQFROIPLNER-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181003 1095919144 /nfs/dbraw/zinc/91/91/44/1095919144.db2.gz LKRKQFROIPLNER-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181003 1095919154 /nfs/dbraw/zinc/91/91/54/1095919154.db2.gz LKRKQFROIPLNER-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001270228439 1098830542 /nfs/dbraw/zinc/83/05/42/1098830542.db2.gz LEYIHSICWCQBDO-ZWKOTPCHSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104911960 1098987352 /nfs/dbraw/zinc/98/73/52/1098987352.db2.gz JDQAUDGGBGYLDL-HZPDHXFCSA-N 2 2 332.492 2.728 20 30 EFEDLP CCCCCCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167741830 1099431062 /nfs/dbraw/zinc/43/10/62/1099431062.db2.gz BSUQSJHKWMJFBN-UHFFFAOYSA-N 2 2 334.508 2.809 20 30 EFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527729 1099895330 /nfs/dbraw/zinc/89/53/30/1099895330.db2.gz SWGZUKWRAVQIIV-YRNRMSPPSA-N 2 2 342.487 2.624 20 30 EFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112528186 1099932358 /nfs/dbraw/zinc/93/23/58/1099932358.db2.gz QGCOVIMUGYQBRP-YRNRMSPPSA-N 2 2 342.487 2.624 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001482389013 1099978762 /nfs/dbraw/zinc/97/87/62/1099978762.db2.gz HOCTWARQNRJDRR-AWEZNQCLSA-N 2 2 334.851 2.821 20 30 EFEDLP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001204755887 1100170647 /nfs/dbraw/zinc/17/06/47/1100170647.db2.gz JUMZMNYORVVFBM-QGZVFWFLSA-N 2 2 326.465 2.698 20 30 EFEDLP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001204755887 1100170650 /nfs/dbraw/zinc/17/06/50/1100170650.db2.gz JUMZMNYORVVFBM-QGZVFWFLSA-N 2 2 326.465 2.698 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001168041874 1101131161 /nfs/dbraw/zinc/13/11/61/1101131161.db2.gz XEIOHRFNHTVLJT-FPXQBCRKSA-N 2 2 347.503 2.938 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315548 1101638084 /nfs/dbraw/zinc/63/80/84/1101638084.db2.gz USILJBDJMQHIPU-QBPKDAKJSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315548 1101638090 /nfs/dbraw/zinc/63/80/90/1101638090.db2.gz USILJBDJMQHIPU-QBPKDAKJSA-N 2 2 330.476 2.554 20 30 EFEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327505 1101778437 /nfs/dbraw/zinc/77/84/37/1101778437.db2.gz QSDWXGVDHRQQJE-QRVBRYPASA-N 2 2 344.503 2.568 20 30 EFEDLP C=CCCCCCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209444345 1101900760 /nfs/dbraw/zinc/90/07/60/1101900760.db2.gz PKNFIUOCAQTWGC-UHFFFAOYSA-N 2 2 337.552 2.853 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345666 1101964677 /nfs/dbraw/zinc/96/46/77/1101964677.db2.gz NNJLJJVNVFYOSJ-IAGOWNOFSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001210116353 1102281276 /nfs/dbraw/zinc/28/12/76/1102281276.db2.gz FLAGKVIUNUNXTG-QGZVFWFLSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274253 1102430968 /nfs/dbraw/zinc/43/09/68/1102430968.db2.gz KHDJHPMANYZYDF-BRWVUGGUSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274253 1102430976 /nfs/dbraw/zinc/43/09/76/1102430976.db2.gz KHDJHPMANYZYDF-BRWVUGGUSA-N 2 2 332.492 2.771 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001088391746 1103390030 /nfs/dbraw/zinc/39/00/30/1103390030.db2.gz SGKJYULZWUUKIJ-HOTGVXAUSA-N 2 2 338.883 2.948 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105569923 1105949996 /nfs/dbraw/zinc/94/99/96/1105949996.db2.gz BQQCMMBQUHPDRY-INIZCTEOSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989634557 1106497899 /nfs/dbraw/zinc/49/78/99/1106497899.db2.gz FNCAHHLXRBKLTE-GDBMZVCRSA-N 2 2 344.846 2.817 20 30 EFEDLP C[NH+]=C(NCc1ccsc1)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000083804050 1106551961 /nfs/dbraw/zinc/55/19/61/1106551961.db2.gz UMXLVYLMSCCQFT-CYBMUJFWSA-N 2 2 348.541 2.921 20 30 EFEDLP C[NH+]=C(NCc1ccsc1)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000083804050 1106551967 /nfs/dbraw/zinc/55/19/67/1106551967.db2.gz UMXLVYLMSCCQFT-CYBMUJFWSA-N 2 2 348.541 2.921 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860518 1106750928 /nfs/dbraw/zinc/75/09/28/1106750928.db2.gz PCVKLGONLFRZFA-JKIFEVAISA-N 2 2 345.890 2.530 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860518 1106750941 /nfs/dbraw/zinc/75/09/41/1106750941.db2.gz PCVKLGONLFRZFA-JKIFEVAISA-N 2 2 345.890 2.530 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860518 1106750957 /nfs/dbraw/zinc/75/09/57/1106750957.db2.gz PCVKLGONLFRZFA-JKIFEVAISA-N 2 2 345.890 2.530 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860518 1106750969 /nfs/dbraw/zinc/75/09/69/1106750969.db2.gz PCVKLGONLFRZFA-JKIFEVAISA-N 2 2 345.890 2.530 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110311 1107625910 /nfs/dbraw/zinc/62/59/10/1107625910.db2.gz AUFXABKJKMBDFS-INIZCTEOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110311 1107625916 /nfs/dbraw/zinc/62/59/16/1107625916.db2.gz AUFXABKJKMBDFS-INIZCTEOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110311 1107625923 /nfs/dbraw/zinc/62/59/23/1107625923.db2.gz AUFXABKJKMBDFS-INIZCTEOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110311 1107625928 /nfs/dbraw/zinc/62/59/28/1107625928.db2.gz AUFXABKJKMBDFS-INIZCTEOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990642525 1108534840 /nfs/dbraw/zinc/53/48/40/1108534840.db2.gz ZXHYMLKFJGVPRY-LZLYRXPVSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990642525 1108534852 /nfs/dbraw/zinc/53/48/52/1108534852.db2.gz ZXHYMLKFJGVPRY-LZLYRXPVSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990642525 1108534860 /nfs/dbraw/zinc/53/48/60/1108534860.db2.gz ZXHYMLKFJGVPRY-LZLYRXPVSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990642525 1108534874 /nfs/dbraw/zinc/53/48/74/1108534874.db2.gz ZXHYMLKFJGVPRY-LZLYRXPVSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990642522 1108535481 /nfs/dbraw/zinc/53/54/81/1108535481.db2.gz ZXHYMLKFJGVPRY-JFIYKMOQSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990642522 1108535497 /nfs/dbraw/zinc/53/54/97/1108535497.db2.gz ZXHYMLKFJGVPRY-JFIYKMOQSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990642522 1108535503 /nfs/dbraw/zinc/53/55/03/1108535503.db2.gz ZXHYMLKFJGVPRY-JFIYKMOQSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990642522 1108535520 /nfs/dbraw/zinc/53/55/20/1108535520.db2.gz ZXHYMLKFJGVPRY-JFIYKMOQSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948060736 1111378602 /nfs/dbraw/zinc/37/86/02/1111378602.db2.gz IWBUJOKPZILSPR-WBVHZDCISA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948060736 1111378606 /nfs/dbraw/zinc/37/86/06/1111378606.db2.gz IWBUJOKPZILSPR-WBVHZDCISA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948060736 1111378610 /nfs/dbraw/zinc/37/86/10/1111378610.db2.gz IWBUJOKPZILSPR-WBVHZDCISA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948060736 1111378614 /nfs/dbraw/zinc/37/86/14/1111378614.db2.gz IWBUJOKPZILSPR-WBVHZDCISA-N 2 2 347.528 2.651 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874735 1111944398 /nfs/dbraw/zinc/94/43/98/1111944398.db2.gz RJYQYMYCBRAZGC-BZUAXINKSA-N 2 2 332.492 2.726 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412698 1112089360 /nfs/dbraw/zinc/08/93/60/1112089360.db2.gz RYWMVSHPAWLBAU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412698 1112089365 /nfs/dbraw/zinc/08/93/65/1112089365.db2.gz RYWMVSHPAWLBAU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412698 1112089369 /nfs/dbraw/zinc/08/93/69/1112089369.db2.gz RYWMVSHPAWLBAU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412698 1112089374 /nfs/dbraw/zinc/08/93/74/1112089374.db2.gz RYWMVSHPAWLBAU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416776 1112092837 /nfs/dbraw/zinc/09/28/37/1112092837.db2.gz PNFVRLXCUGDLCM-KRWDZBQOSA-N 2 2 344.503 2.557 20 30 EFEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416776 1112092842 /nfs/dbraw/zinc/09/28/42/1112092842.db2.gz PNFVRLXCUGDLCM-KRWDZBQOSA-N 2 2 344.503 2.557 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417258 1112093139 /nfs/dbraw/zinc/09/31/39/1112093139.db2.gz XGLGQFWRAFDVTM-MRXNPFEDSA-N 2 2 332.492 2.719 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417258 1112093143 /nfs/dbraw/zinc/09/31/43/1112093143.db2.gz XGLGQFWRAFDVTM-MRXNPFEDSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418769 1112098153 /nfs/dbraw/zinc/09/81/53/1112098153.db2.gz ALUHNNRTIXNWCS-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418769 1112098157 /nfs/dbraw/zinc/09/81/57/1112098157.db2.gz ALUHNNRTIXNWCS-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419402 1112099743 /nfs/dbraw/zinc/09/97/43/1112099743.db2.gz FTZYTDVHMKAAEQ-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419402 1112099746 /nfs/dbraw/zinc/09/97/46/1112099746.db2.gz FTZYTDVHMKAAEQ-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP 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C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089661925 1112602408 /nfs/dbraw/zinc/60/24/08/1112602408.db2.gz ZUWGDXLBCKBZLM-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089661925 1112602413 /nfs/dbraw/zinc/60/24/13/1112602413.db2.gz ZUWGDXLBCKBZLM-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661394 1112612699 /nfs/dbraw/zinc/61/26/99/1112612699.db2.gz WWDYHKMGFVHFKH-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661394 1112612702 /nfs/dbraw/zinc/61/27/02/1112612702.db2.gz WWDYHKMGFVHFKH-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922953 1118581704 /nfs/dbraw/zinc/58/17/04/1118581704.db2.gz UUUJTTAPKLORRS-NVXWUHKLSA-N 2 2 332.492 2.691 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537830 1118939303 /nfs/dbraw/zinc/93/93/03/1118939303.db2.gz GXDNERVYLYRMSU-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537830 1118939304 /nfs/dbraw/zinc/93/93/04/1118939304.db2.gz GXDNERVYLYRMSU-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538446 1118939979 /nfs/dbraw/zinc/93/99/79/1118939979.db2.gz PULABLBATWSBHN-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538446 1118939983 /nfs/dbraw/zinc/93/99/83/1118939983.db2.gz PULABLBATWSBHN-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286814 1119400357 /nfs/dbraw/zinc/40/03/57/1119400357.db2.gz GWFMKLWBUIWDRJ-UKRRQHHQSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286814 1119400359 /nfs/dbraw/zinc/40/03/59/1119400359.db2.gz GWFMKLWBUIWDRJ-UKRRQHHQSA-N 2 2 338.883 2.586 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090522 1120561190 /nfs/dbraw/zinc/56/11/90/1120561190.db2.gz KXNGDKFLXUDCSO-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090522 1120561195 /nfs/dbraw/zinc/56/11/95/1120561195.db2.gz KXNGDKFLXUDCSO-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090522 1120561198 /nfs/dbraw/zinc/56/11/98/1120561198.db2.gz KXNGDKFLXUDCSO-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090522 1120561200 /nfs/dbraw/zinc/56/12/00/1120561200.db2.gz KXNGDKFLXUDCSO-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)c3ccccc3)CC2)cc1 ZINC000181757360 234312734 /nfs/dbraw/zinc/31/27/34/234312734.db2.gz UQSLCUNEXIPSKS-OAQYLSRUSA-N 2 2 335.451 2.846 20 30 EFEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859745 234355707 /nfs/dbraw/zinc/35/57/07/234355707.db2.gz VSURJESLWGEGBG-LEWJYISDSA-N 3 2 340.515 2.985 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000271618363 201246761 /nfs/dbraw/zinc/24/67/61/201246761.db2.gz DLTMXGSDPHEUHC-MRXNPFEDSA-N 2 2 346.500 2.870 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271618363 201246764 /nfs/dbraw/zinc/24/67/64/201246764.db2.gz DLTMXGSDPHEUHC-MRXNPFEDSA-N 2 2 346.500 2.870 20 30 EFEDLP [NH2+]=C(NCCCn1cc[nH+]c1)Nc1ccccc1OC(F)(F)F ZINC000160591074 239052984 /nfs/dbraw/zinc/05/29/84/239052984.db2.gz HAATYMHODJQAEX-UHFFFAOYSA-N 2 2 327.310 2.599 20 30 EFEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000237674819 240246935 /nfs/dbraw/zinc/24/69/35/240246935.db2.gz YQKDGXMDXHFKGE-ROUUACIJSA-N 2 2 345.487 2.958 20 30 EFEDLP C[NH+]=C(NCC1(C2CC2)CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261948022 240333916 /nfs/dbraw/zinc/33/39/16/240333916.db2.gz GKXJTDHYWDASTR-RDJZCZTQSA-N 2 2 329.492 2.922 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000261993104 240337902 /nfs/dbraw/zinc/33/79/02/240337902.db2.gz MXIYYUQPRPKUQB-ZDUSSCGKSA-N 2 2 344.484 2.930 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000261993104 240337911 /nfs/dbraw/zinc/33/79/11/240337911.db2.gz MXIYYUQPRPKUQB-ZDUSSCGKSA-N 2 2 344.484 2.930 20 30 EFEDLP Cc1ccn2cc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)[nH+]c2c1 ZINC000328842764 241253065 /nfs/dbraw/zinc/25/30/65/241253065.db2.gz VXRXVXHLZXJNMK-KRWDZBQOSA-N 2 2 341.459 2.617 20 30 EFEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000329302487 241344575 /nfs/dbraw/zinc/34/45/75/241344575.db2.gz WKYVGCJGEFUVPE-MRXNPFEDSA-N 2 2 347.507 2.692 20 30 EFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000329304040 241344617 /nfs/dbraw/zinc/34/46/17/241344617.db2.gz AEAQSGPMSCAMNM-QGZVFWFLSA-N 2 2 325.416 2.659 20 30 EFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000329304040 241344622 /nfs/dbraw/zinc/34/46/22/241344622.db2.gz AEAQSGPMSCAMNM-QGZVFWFLSA-N 2 2 325.416 2.659 20 30 EFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000329304039 241345879 /nfs/dbraw/zinc/34/58/79/241345879.db2.gz AEAQSGPMSCAMNM-KRWDZBQOSA-N 2 2 325.416 2.659 20 30 EFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000329304039 241345883 /nfs/dbraw/zinc/34/58/83/241345883.db2.gz AEAQSGPMSCAMNM-KRWDZBQOSA-N 2 2 325.416 2.659 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061019 242214893 /nfs/dbraw/zinc/21/48/93/242214893.db2.gz YBKFRQRZOLXRQI-GOSISDBHSA-N 2 2 344.503 2.964 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227662 242219218 /nfs/dbraw/zinc/21/92/18/242219218.db2.gz HCRYOXUFHNHZRY-AZUAARDMSA-N 3 2 337.552 2.754 20 30 EFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(C)C ZINC000414301230 244081748 /nfs/dbraw/zinc/08/17/48/244081748.db2.gz SRTBLRPWXJLKDK-UXHICEINSA-N 2 2 329.488 2.908 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156565077 206084575 /nfs/dbraw/zinc/08/45/75/206084575.db2.gz WIYMBSCCCKEWDL-MPGHIAIKSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156565077 206084580 /nfs/dbraw/zinc/08/45/80/206084580.db2.gz WIYMBSCCCKEWDL-MPGHIAIKSA-N 2 2 337.427 2.665 20 30 EFEDLP Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C#N)c[nH+]1 ZINC000425214570 247002982 /nfs/dbraw/zinc/00/29/82/247002982.db2.gz JPRAHCIULCXLRM-MRXNPFEDSA-N 2 2 336.439 2.516 20 30 EFEDLP Cc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C#N)c[nH+]1 ZINC000425214570 247002987 /nfs/dbraw/zinc/00/29/87/247002987.db2.gz JPRAHCIULCXLRM-MRXNPFEDSA-N 2 2 336.439 2.516 20 30 EFEDLP C[N@H+](Cc1ccc(CC#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944340 247216914 /nfs/dbraw/zinc/21/69/14/247216914.db2.gz WKNMPINTOGDAJU-QFIPXVFZSA-N 2 2 349.478 2.821 20 30 EFEDLP C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944340 247216917 /nfs/dbraw/zinc/21/69/17/247216917.db2.gz WKNMPINTOGDAJU-QFIPXVFZSA-N 2 2 349.478 2.821 20 30 EFEDLP C[NH+](Cc1ccc(CC#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425944340 247216921 /nfs/dbraw/zinc/21/69/21/247216921.db2.gz WKNMPINTOGDAJU-QFIPXVFZSA-N 2 2 349.478 2.821 20 30 EFEDLP C[NH+](Cc1ccc(CC#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425944340 247216925 /nfs/dbraw/zinc/21/69/25/247216925.db2.gz WKNMPINTOGDAJU-QFIPXVFZSA-N 2 2 349.478 2.821 20 30 EFEDLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000443999858 250246943 /nfs/dbraw/zinc/24/69/43/250246943.db2.gz FDTKXYCIJYGGRQ-VXKWHMMOSA-N 2 2 349.478 2.839 20 30 EFEDLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000443999858 250246945 /nfs/dbraw/zinc/24/69/45/250246945.db2.gz FDTKXYCIJYGGRQ-VXKWHMMOSA-N 2 2 349.478 2.839 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958362 533339073 /nfs/dbraw/zinc/33/90/73/533339073.db2.gz HIICQWGODDMGKO-RDJZCZTQSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958362 533339081 /nfs/dbraw/zinc/33/90/81/533339081.db2.gz HIICQWGODDMGKO-RDJZCZTQSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173958362 533339083 /nfs/dbraw/zinc/33/90/83/533339083.db2.gz HIICQWGODDMGKO-RDJZCZTQSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173958362 533339091 /nfs/dbraw/zinc/33/90/91/533339091.db2.gz HIICQWGODDMGKO-RDJZCZTQSA-N 2 2 328.460 2.691 20 30 EFEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccc(C)s1 ZINC000262719651 533478520 /nfs/dbraw/zinc/47/85/20/533478520.db2.gz FISKGRKXOHRCGN-UHFFFAOYSA-N 2 2 348.541 2.841 20 30 EFEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccc(C)s1 ZINC000262719651 533478522 /nfs/dbraw/zinc/47/85/22/533478522.db2.gz FISKGRKXOHRCGN-UHFFFAOYSA-N 2 2 348.541 2.841 20 30 EFEDLP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000344106934 145369311 /nfs/dbraw/zinc/36/93/11/145369311.db2.gz QUPNGTSXYPUAMO-RBUKOAKNSA-N 2 2 327.472 2.926 20 30 EFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143986 145378456 /nfs/dbraw/zinc/37/84/56/145378456.db2.gz SKLOJIIALNHMMT-UWJYYQICSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143986 145378458 /nfs/dbraw/zinc/37/84/58/145378458.db2.gz SKLOJIIALNHMMT-UWJYYQICSA-N 2 2 335.451 2.846 20 30 EFEDLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272531135 266295903 /nfs/dbraw/zinc/29/59/03/266295903.db2.gz JEWZJDDVYHXIID-LJQANCHMSA-N 2 2 340.471 2.518 20 30 EFEDLP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000285416441 266684910 /nfs/dbraw/zinc/68/49/10/266684910.db2.gz GFWHZJRRXVSVHD-KRWDZBQOSA-N 2 2 345.487 2.678 20 30 EFEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000271872519 267181492 /nfs/dbraw/zinc/18/14/92/267181492.db2.gz NDRGLNBYUPIJJM-SFHVURJKSA-N 3 2 349.482 2.816 20 30 EFEDLP N#Cc1ccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC000285509147 268107224 /nfs/dbraw/zinc/10/72/24/268107224.db2.gz DFLXEDXSOQERLE-UHFFFAOYSA-N 2 2 326.488 2.993 20 30 EFEDLP C[NH+](C)[C@@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCSC1 ZINC000286075844 274128505 /nfs/dbraw/zinc/12/85/05/274128505.db2.gz MCORECSNBBMFRU-LJQANCHMSA-N 2 2 344.528 2.554 20 30 EFEDLP C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354743166 274361145 /nfs/dbraw/zinc/36/11/45/274361145.db2.gz GDMUYWCQRIOBBL-MRXNPFEDSA-N 2 2 349.482 2.711 20 30 EFEDLP C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354743166 274361146 /nfs/dbraw/zinc/36/11/46/274361146.db2.gz GDMUYWCQRIOBBL-MRXNPFEDSA-N 2 2 349.482 2.711 20 30 EFEDLP C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411419628 288156400 /nfs/dbraw/zinc/15/64/00/288156400.db2.gz TXOMTHLJZSPHGP-RTBURBONSA-N 2 2 332.536 2.808 20 30 EFEDLP C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411419628 288156402 /nfs/dbraw/zinc/15/64/02/288156402.db2.gz TXOMTHLJZSPHGP-RTBURBONSA-N 2 2 332.536 2.808 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331243941 301183272 /nfs/dbraw/zinc/18/32/72/301183272.db2.gz SISZHOACBRCUPH-INIZCTEOSA-N 2 2 334.464 2.690 20 30 EFEDLP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000578450781 320207594 /nfs/dbraw/zinc/20/75/94/320207594.db2.gz LHTULQOCYIPGIY-UHFFFAOYSA-N 2 2 342.418 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000582666757 324644024 /nfs/dbraw/zinc/64/40/24/324644024.db2.gz BFVIEXSNABZARR-UHFFFAOYSA-N 3 2 334.467 2.771 20 30 EFEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305377 /nfs/dbraw/zinc/30/53/77/473305377.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 2 326.488 2.550 20 30 EFEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305380 /nfs/dbraw/zinc/30/53/80/473305380.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 2 326.488 2.550 20 30 EFEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305389 /nfs/dbraw/zinc/30/53/89/473305389.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 2 326.488 2.550 20 30 EFEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305393 /nfs/dbraw/zinc/30/53/93/473305393.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 2 326.488 2.550 20 30 EFEDLP [NH2+]=C(NCCCc1[nH]c2ccccc2[nH+]1)N[C@@H]1CCOc2ccccc21 ZINC000083032066 473316282 /nfs/dbraw/zinc/31/62/82/473316282.db2.gz SDNCZBNWFWFATI-OAHLLOKOSA-N 2 2 349.438 2.924 20 30 EFEDLP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000097034818 472416285 /nfs/dbraw/zinc/41/62/85/472416285.db2.gz YVZKSRQQUGCBRF-DQLDELGASA-N 2 2 335.451 2.844 20 30 EFEDLP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000097034818 472416296 /nfs/dbraw/zinc/41/62/96/472416296.db2.gz YVZKSRQQUGCBRF-DQLDELGASA-N 2 2 335.451 2.844 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000119402155 472552936 /nfs/dbraw/zinc/55/29/36/472552936.db2.gz QDVZHVMKPUNTDE-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000119402155 472552943 /nfs/dbraw/zinc/55/29/43/472552943.db2.gz QDVZHVMKPUNTDE-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965731 472748659 /nfs/dbraw/zinc/74/86/59/472748659.db2.gz OPBGTAMIRFMAOI-RBUKOAKNSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965731 472748661 /nfs/dbraw/zinc/74/86/61/472748661.db2.gz OPBGTAMIRFMAOI-RBUKOAKNSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965731 472748665 /nfs/dbraw/zinc/74/86/65/472748665.db2.gz OPBGTAMIRFMAOI-RBUKOAKNSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965731 472748667 /nfs/dbraw/zinc/74/86/67/472748667.db2.gz OPBGTAMIRFMAOI-RBUKOAKNSA-N 2 2 333.520 2.773 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000106036303 472819181 /nfs/dbraw/zinc/81/91/81/472819181.db2.gz BMLBSCUEGVSGAJ-UHFFFAOYSA-N 2 2 338.455 2.702 20 30 EFEDLP C=CCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092078697 472854735 /nfs/dbraw/zinc/85/47/35/472854735.db2.gz KWNFCNLCZIFTIV-QGZVFWFLSA-N 2 2 330.472 2.937 20 30 EFEDLP C=CCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092078697 472854742 /nfs/dbraw/zinc/85/47/42/472854742.db2.gz KWNFCNLCZIFTIV-QGZVFWFLSA-N 2 2 330.472 2.937 20 30 EFEDLP C=CCOc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092079333 472855555 /nfs/dbraw/zinc/85/55/55/472855555.db2.gz QQCZLQFIFPJNIC-QGZVFWFLSA-N 2 2 330.472 2.937 20 30 EFEDLP C=CCOc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092079333 472855563 /nfs/dbraw/zinc/85/55/63/472855563.db2.gz QQCZLQFIFPJNIC-QGZVFWFLSA-N 2 2 330.472 2.937 20 30 EFEDLP C=CC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000121521592 472865747 /nfs/dbraw/zinc/86/57/47/472865747.db2.gz XYGULAHEFUIGFE-QGZVFWFLSA-N 2 2 335.879 2.711 20 30 EFEDLP C=CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000121521592 472865754 /nfs/dbraw/zinc/86/57/54/472865754.db2.gz XYGULAHEFUIGFE-QGZVFWFLSA-N 2 2 335.879 2.711 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092746968 472979361 /nfs/dbraw/zinc/97/93/61/472979361.db2.gz DKSLTLAZIAKDQP-MRXNPFEDSA-N 2 2 329.488 2.666 20 30 EFEDLP CC[NH+]=C(NCc1c(C)noc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159971997 473077405 /nfs/dbraw/zinc/07/74/05/473077405.db2.gz RWSXKCFSJLIISZ-GUYCJALGSA-N 2 2 344.463 2.537 20 30 EFEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccs1 ZINC000114453966 473468160 /nfs/dbraw/zinc/46/81/60/473468160.db2.gz FGELFVMTGCHOJZ-UHFFFAOYSA-N 2 2 335.517 2.725 20 30 EFEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccs1 ZINC000114453966 473468165 /nfs/dbraw/zinc/46/81/65/473468165.db2.gz FGELFVMTGCHOJZ-UHFFFAOYSA-N 2 2 335.517 2.725 20 30 EFEDLP C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728331 473499357 /nfs/dbraw/zinc/49/93/57/473499357.db2.gz DBUOUNXCRQAKSH-ZFWWWQNUSA-N 2 2 346.500 2.801 20 30 EFEDLP C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728331 473499359 /nfs/dbraw/zinc/49/93/59/473499359.db2.gz DBUOUNXCRQAKSH-ZFWWWQNUSA-N 2 2 346.500 2.801 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152479623 473566965 /nfs/dbraw/zinc/56/69/65/473566965.db2.gz IWPLKGROXRDDNF-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152479623 473566971 /nfs/dbraw/zinc/56/69/71/473566971.db2.gz IWPLKGROXRDDNF-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152479623 473566973 /nfs/dbraw/zinc/56/69/73/473566973.db2.gz IWPLKGROXRDDNF-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152479623 473566978 /nfs/dbraw/zinc/56/69/78/473566978.db2.gz IWPLKGROXRDDNF-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP C[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000153901609 473648522 /nfs/dbraw/zinc/64/85/22/473648522.db2.gz MBXRKKRDFYVTKQ-OAHLLOKOSA-N 2 2 326.362 2.820 20 30 EFEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000153901609 473648527 /nfs/dbraw/zinc/64/85/27/473648527.db2.gz MBXRKKRDFYVTKQ-OAHLLOKOSA-N 2 2 326.362 2.820 20 30 EFEDLP C[C@H](NC(=[NH2+])NCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000263242436 473746519 /nfs/dbraw/zinc/74/65/19/473746519.db2.gz LQZMHRKAPHPIBD-JTQLQIEISA-N 2 2 326.231 2.855 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000246271131 473812452 /nfs/dbraw/zinc/81/24/52/473812452.db2.gz AOPGMESYAPSYOB-KXBFYZLASA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000246271131 473812461 /nfs/dbraw/zinc/81/24/61/473812461.db2.gz AOPGMESYAPSYOB-KXBFYZLASA-N 2 2 333.451 2.924 20 30 EFEDLP COCc1cccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000269491053 473823254 /nfs/dbraw/zinc/82/32/54/473823254.db2.gz SQVGUBLRPHZICU-UHFFFAOYSA-N 2 2 327.428 2.732 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286112 473845030 /nfs/dbraw/zinc/84/50/30/473845030.db2.gz HAADMFQAQLVYPZ-RDTXWAMCSA-N 2 2 335.455 2.674 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286112 473845037 /nfs/dbraw/zinc/84/50/37/473845037.db2.gz HAADMFQAQLVYPZ-RDTXWAMCSA-N 2 2 335.455 2.674 20 30 EFEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458338 473870142 /nfs/dbraw/zinc/87/01/42/473870142.db2.gz NGLZRWRELUMLRZ-CVEARBPZSA-N 2 2 346.500 2.531 20 30 EFEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458338 473870146 /nfs/dbraw/zinc/87/01/46/473870146.db2.gz NGLZRWRELUMLRZ-CVEARBPZSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458338 473870153 /nfs/dbraw/zinc/87/01/53/473870153.db2.gz NGLZRWRELUMLRZ-CVEARBPZSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458338 473870160 /nfs/dbraw/zinc/87/01/60/473870160.db2.gz NGLZRWRELUMLRZ-CVEARBPZSA-N 2 2 346.500 2.531 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)C1=O ZINC000281936324 473889098 /nfs/dbraw/zinc/88/90/98/473889098.db2.gz IMYBCXOYHSLMKJ-LPHOPBHVSA-N 2 2 338.455 2.596 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009637 473917180 /nfs/dbraw/zinc/91/71/80/473917180.db2.gz OFWNHUOGEMEOJS-IHPCNDPISA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009637 473917186 /nfs/dbraw/zinc/91/71/86/473917186.db2.gz OFWNHUOGEMEOJS-IHPCNDPISA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009637 473917197 /nfs/dbraw/zinc/91/71/97/473917197.db2.gz OFWNHUOGEMEOJS-IHPCNDPISA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009637 473917200 /nfs/dbraw/zinc/91/72/00/473917200.db2.gz OFWNHUOGEMEOJS-IHPCNDPISA-N 2 2 341.499 2.758 20 30 EFEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079408 473947553 /nfs/dbraw/zinc/94/75/53/473947553.db2.gz TZFUUVAEDGTTJL-MRXNPFEDSA-N 2 2 330.432 2.765 20 30 EFEDLP CCCCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264120753 473952690 /nfs/dbraw/zinc/95/26/90/473952690.db2.gz USGKVXJVAUGLIY-UHFFFAOYSA-N 2 2 332.492 2.503 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)cc1OC ZINC000264134317 473954650 /nfs/dbraw/zinc/95/46/50/473954650.db2.gz ZFQCZXSDYTUBII-UHFFFAOYSA-N 2 2 342.443 2.562 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000264134317 473954657 /nfs/dbraw/zinc/95/46/57/473954657.db2.gz ZFQCZXSDYTUBII-UHFFFAOYSA-N 2 2 342.443 2.562 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000181480890 474038212 /nfs/dbraw/zinc/03/82/12/474038212.db2.gz LZTIHWSHTRXVNC-LJQANCHMSA-N 3 2 338.499 2.597 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000181480890 474038221 /nfs/dbraw/zinc/03/82/21/474038221.db2.gz LZTIHWSHTRXVNC-LJQANCHMSA-N 3 2 338.499 2.597 20 30 EFEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276828 474042031 /nfs/dbraw/zinc/04/20/31/474042031.db2.gz TUOKYYVROYRBIN-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276828 474042037 /nfs/dbraw/zinc/04/20/37/474042037.db2.gz TUOKYYVROYRBIN-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276828 474042043 /nfs/dbraw/zinc/04/20/43/474042043.db2.gz TUOKYYVROYRBIN-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276828 474042049 /nfs/dbraw/zinc/04/20/49/474042049.db2.gz TUOKYYVROYRBIN-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000222154315 474164583 /nfs/dbraw/zinc/16/45/83/474164583.db2.gz YVZKSRQQUGCBRF-ORYQWCPZSA-N 2 2 335.451 2.844 20 30 EFEDLP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000222154315 474164587 /nfs/dbraw/zinc/16/45/87/474164587.db2.gz YVZKSRQQUGCBRF-ORYQWCPZSA-N 2 2 335.451 2.844 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289519805 474306981 /nfs/dbraw/zinc/30/69/81/474306981.db2.gz NSAGUHOCKCVFJZ-UHFFFAOYSA-N 2 2 349.276 2.837 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000265828691 474352011 /nfs/dbraw/zinc/35/20/11/474352011.db2.gz CGXIXEILSBJTFH-LEWJYISDSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000265828691 474352018 /nfs/dbraw/zinc/35/20/18/474352018.db2.gz CGXIXEILSBJTFH-LEWJYISDSA-N 2 2 335.451 2.531 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183562766 474393529 /nfs/dbraw/zinc/39/35/29/474393529.db2.gz AQZFKPOSJKAYPI-OAQYLSRUSA-N 2 2 343.515 2.608 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265946412 474397271 /nfs/dbraw/zinc/39/72/71/474397271.db2.gz GNXUVCWRROERMB-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265946412 474397279 /nfs/dbraw/zinc/39/72/79/474397279.db2.gz GNXUVCWRROERMB-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265946412 474397288 /nfs/dbraw/zinc/39/72/88/474397288.db2.gz GNXUVCWRROERMB-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265946412 474397295 /nfs/dbraw/zinc/39/72/95/474397295.db2.gz GNXUVCWRROERMB-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP CCN(CC)C(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183890712 474443237 /nfs/dbraw/zinc/44/32/37/474443237.db2.gz PVEPFFDIQHVSLT-CQSZACIVSA-N 2 2 330.398 2.965 20 30 EFEDLP CCCc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cs1 ZINC000267004428 474563225 /nfs/dbraw/zinc/56/32/25/474563225.db2.gz JAVBOYYYRZMQDC-UHFFFAOYSA-N 2 2 332.473 2.994 20 30 EFEDLP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271865959 474596362 /nfs/dbraw/zinc/59/63/62/474596362.db2.gz LNJZAOAVSYODHW-UHFFFAOYSA-N 3 2 337.471 2.708 20 30 EFEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675301 474622194 /nfs/dbraw/zinc/62/21/94/474622194.db2.gz UNVIQLMNSOBWJH-PXNSSMCTSA-N 2 2 349.482 2.990 20 30 EFEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675301 474622203 /nfs/dbraw/zinc/62/22/03/474622203.db2.gz UNVIQLMNSOBWJH-PXNSSMCTSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675301 474622208 /nfs/dbraw/zinc/62/22/08/474622208.db2.gz UNVIQLMNSOBWJH-PXNSSMCTSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675301 474622212 /nfs/dbraw/zinc/62/22/12/474622212.db2.gz UNVIQLMNSOBWJH-PXNSSMCTSA-N 2 2 349.482 2.990 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258191 480131854 /nfs/dbraw/zinc/13/18/54/480131854.db2.gz OCPBMCMVTOSFKN-ZFWWWQNUSA-N 2 2 341.415 2.629 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258191 480131862 /nfs/dbraw/zinc/13/18/62/480131862.db2.gz OCPBMCMVTOSFKN-ZFWWWQNUSA-N 2 2 341.415 2.629 20 30 EFEDLP C[NH+](C)[C@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCSC1 ZINC000286075840 475050987 /nfs/dbraw/zinc/05/09/87/475050987.db2.gz MCORECSNBBMFRU-IBGZPJMESA-N 2 2 344.528 2.554 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000286309036 475060668 /nfs/dbraw/zinc/06/06/68/475060668.db2.gz CTTXBRJGZSPJBO-UHFFFAOYSA-N 2 2 345.878 2.969 20 30 EFEDLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329580000 475093036 /nfs/dbraw/zinc/09/30/36/475093036.db2.gz UMBGHYZBHVACQY-GFCCVEGCSA-N 2 2 345.472 2.957 20 30 EFEDLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329580000 475093044 /nfs/dbraw/zinc/09/30/44/475093044.db2.gz UMBGHYZBHVACQY-GFCCVEGCSA-N 2 2 345.472 2.957 20 30 EFEDLP CCC(=O)N[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329760359 475128640 /nfs/dbraw/zinc/12/86/40/475128640.db2.gz QBRFJGWBNMBTEX-INIZCTEOSA-N 2 2 327.432 2.907 20 30 EFEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C2 ZINC000329856060 475148525 /nfs/dbraw/zinc/14/85/25/475148525.db2.gz UMWPMTBNBDCNEG-DZKIICNBSA-N 2 2 348.491 2.598 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330244212 475217371 /nfs/dbraw/zinc/21/73/71/475217371.db2.gz CZMMQHKJEYEWJF-ZACQAIPSSA-N 2 2 345.491 2.971 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330244212 475217376 /nfs/dbraw/zinc/21/73/76/475217376.db2.gz CZMMQHKJEYEWJF-ZACQAIPSSA-N 2 2 345.491 2.971 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330294034 475224543 /nfs/dbraw/zinc/22/45/43/475224543.db2.gz IFZBXQHUPRRSFS-QGZVFWFLSA-N 2 2 346.475 2.639 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330294034 475224547 /nfs/dbraw/zinc/22/45/47/475224547.db2.gz IFZBXQHUPRRSFS-QGZVFWFLSA-N 2 2 346.475 2.639 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330657876 475262102 /nfs/dbraw/zinc/26/21/02/475262102.db2.gz OMSZUWMAOHHONY-GPMSIDNRSA-N 2 2 345.491 2.525 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330657876 475262110 /nfs/dbraw/zinc/26/21/10/475262110.db2.gz OMSZUWMAOHHONY-GPMSIDNRSA-N 2 2 345.491 2.525 20 30 EFEDLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1CCOC ZINC000331296920 475334784 /nfs/dbraw/zinc/33/47/84/475334784.db2.gz CUTPNCJBGDKUHX-INIZCTEOSA-N 2 2 334.464 2.595 20 30 EFEDLP CC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1CCOC ZINC000331296920 475334789 /nfs/dbraw/zinc/33/47/89/475334789.db2.gz CUTPNCJBGDKUHX-INIZCTEOSA-N 2 2 334.464 2.595 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)[nH+]1 ZINC000331344944 475343566 /nfs/dbraw/zinc/34/35/66/475343566.db2.gz VAIUYRLLJGZKAI-MRXNPFEDSA-N 2 2 334.464 2.690 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)[nH+]1 ZINC000331344944 475343571 /nfs/dbraw/zinc/34/35/71/475343571.db2.gz VAIUYRLLJGZKAI-MRXNPFEDSA-N 2 2 334.464 2.690 20 30 EFEDLP C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000348271157 475547312 /nfs/dbraw/zinc/54/73/12/475547312.db2.gz LPEURKDOONCODV-YOEHRIQHSA-N 2 2 348.410 2.888 20 30 EFEDLP C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000348271157 475547316 /nfs/dbraw/zinc/54/73/16/475547316.db2.gz LPEURKDOONCODV-YOEHRIQHSA-N 2 2 348.410 2.888 20 30 EFEDLP N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000348304619 475576967 /nfs/dbraw/zinc/57/69/67/475576967.db2.gz HVJANYJEEZVMAS-GOSISDBHSA-N 2 2 343.862 2.809 20 30 EFEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348325293 475594641 /nfs/dbraw/zinc/59/46/41/475594641.db2.gz GKUONGNYIDTRSQ-SFHVURJKSA-N 2 2 343.862 2.727 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903619 475664376 /nfs/dbraw/zinc/66/43/76/475664376.db2.gz POGLLMCTVUQHME-ALKREAHSSA-N 2 2 342.462 2.738 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903619 475664383 /nfs/dbraw/zinc/66/43/83/475664383.db2.gz POGLLMCTVUQHME-ALKREAHSSA-N 2 2 342.462 2.738 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000361868933 475825162 /nfs/dbraw/zinc/82/51/62/475825162.db2.gz PZQPODLKMXIJSO-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360690150 476342639 /nfs/dbraw/zinc/34/26/39/476342639.db2.gz HPUPQLBYKYEGMF-YLJYHZDGSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360690150 476342643 /nfs/dbraw/zinc/34/26/43/476342643.db2.gz HPUPQLBYKYEGMF-YLJYHZDGSA-N 2 2 345.918 2.649 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000378165907 476685365 /nfs/dbraw/zinc/68/53/65/476685365.db2.gz LLJGWDBTQMFRBT-NQIIRXRSSA-N 2 2 343.515 2.516 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000378165906 476685420 /nfs/dbraw/zinc/68/54/20/476685420.db2.gz LLJGWDBTQMFRBT-GHTZIAJQSA-N 2 2 343.515 2.516 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430580076 476869192 /nfs/dbraw/zinc/86/91/92/476869192.db2.gz DGLYSHQJLGVFQW-LSDHHAIUSA-N 2 2 333.501 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430580076 476869198 /nfs/dbraw/zinc/86/91/98/476869198.db2.gz DGLYSHQJLGVFQW-LSDHHAIUSA-N 2 2 333.501 2.962 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000423277204 476981328 /nfs/dbraw/zinc/98/13/28/476981328.db2.gz NXBMVOCICJSHOR-QUCCMNQESA-N 3 2 326.488 2.630 20 30 EFEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC000423343674 477001685 /nfs/dbraw/zinc/00/16/85/477001685.db2.gz XAVXWFFAACHONN-UHFFFAOYSA-N 3 2 326.488 2.502 20 30 EFEDLP C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156266 477156411 /nfs/dbraw/zinc/15/64/11/477156411.db2.gz QPXXYOZPJOZYOG-MJGOQNOKSA-N 2 2 341.499 2.631 20 30 EFEDLP C=C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156266 477156416 /nfs/dbraw/zinc/15/64/16/477156416.db2.gz QPXXYOZPJOZYOG-MJGOQNOKSA-N 2 2 341.499 2.631 20 30 EFEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000424131990 477302821 /nfs/dbraw/zinc/30/28/21/477302821.db2.gz JUORDGKIQAFAFM-QGZVFWFLSA-N 2 2 337.427 2.846 20 30 EFEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000424178752 477318336 /nfs/dbraw/zinc/31/83/36/477318336.db2.gz XGEWGYMLKBTNKT-MRXNPFEDSA-N 2 2 335.411 2.561 20 30 EFEDLP CCc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])CCCC#N)ccc2n1C1CC1 ZINC000424183885 477319563 /nfs/dbraw/zinc/31/95/63/477319563.db2.gz KPQFBEGHVZIPFB-HNNXBMFYSA-N 2 2 339.443 2.571 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420381174 477734463 /nfs/dbraw/zinc/73/44/63/477734463.db2.gz YYKATDHVDXNBAZ-QBYUYEEZSA-N 2 2 335.517 2.627 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420381178 477735080 /nfs/dbraw/zinc/73/50/80/477735080.db2.gz YYKATDHVDXNBAZ-WBTNSWJXSA-N 2 2 335.517 2.627 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000420628075 477763423 /nfs/dbraw/zinc/76/34/23/477763423.db2.gz OYUJREWHTGWDCQ-UHFFFAOYSA-N 2 2 330.451 2.694 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000420628075 477763424 /nfs/dbraw/zinc/76/34/24/477763424.db2.gz OYUJREWHTGWDCQ-UHFFFAOYSA-N 2 2 330.451 2.694 20 30 EFEDLP C=CCC[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000427263116 477771704 /nfs/dbraw/zinc/77/17/04/477771704.db2.gz QIWCTEKZSMULTE-HXUWFJFHSA-N 2 2 343.515 2.879 20 30 EFEDLP C=CC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000428301341 477865196 /nfs/dbraw/zinc/86/51/96/477865196.db2.gz PDICPLPWIFCTFI-UHFFFAOYSA-N 2 2 348.516 2.964 20 30 EFEDLP C=CC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000428301341 477865202 /nfs/dbraw/zinc/86/52/02/477865202.db2.gz PDICPLPWIFCTFI-UHFFFAOYSA-N 2 2 348.516 2.964 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000420986086 477881299 /nfs/dbraw/zinc/88/12/99/477881299.db2.gz XQVSJSHNXWPGAF-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000420986086 477881308 /nfs/dbraw/zinc/88/13/08/477881308.db2.gz XQVSJSHNXWPGAF-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000420986086 477881313 /nfs/dbraw/zinc/88/13/13/477881313.db2.gz XQVSJSHNXWPGAF-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000420986086 477881322 /nfs/dbraw/zinc/88/13/22/477881322.db2.gz XQVSJSHNXWPGAF-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000559283871 477973671 /nfs/dbraw/zinc/97/36/71/477973671.db2.gz AXFJABZCEINREG-UHFFFAOYSA-N 2 2 334.345 2.602 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000439444455 477977847 /nfs/dbraw/zinc/97/78/47/477977847.db2.gz BEOPGWTVAKHZCL-UHFFFAOYSA-N 2 2 342.830 2.937 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462260 477980359 /nfs/dbraw/zinc/98/03/59/477980359.db2.gz ORTTYAQJRZJVNQ-BPQIPLTHSA-N 2 2 333.863 2.895 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462260 477980365 /nfs/dbraw/zinc/98/03/65/477980365.db2.gz ORTTYAQJRZJVNQ-BPQIPLTHSA-N 2 2 333.863 2.895 20 30 EFEDLP CC#CC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000559461662 477984343 /nfs/dbraw/zinc/98/43/43/477984343.db2.gz UQANZCHTBXVIDI-SFHVURJKSA-N 2 2 347.890 2.548 20 30 EFEDLP CC#CC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000559461662 477984354 /nfs/dbraw/zinc/98/43/54/477984354.db2.gz UQANZCHTBXVIDI-SFHVURJKSA-N 2 2 347.890 2.548 20 30 EFEDLP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726828 478060831 /nfs/dbraw/zinc/06/08/31/478060831.db2.gz BUGONIJDSGTMJT-LJQANCHMSA-N 3 2 340.515 2.844 20 30 EFEDLP C[N@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726828 478060837 /nfs/dbraw/zinc/06/08/37/478060837.db2.gz BUGONIJDSGTMJT-LJQANCHMSA-N 3 2 340.515 2.844 20 30 EFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126771 478126786 /nfs/dbraw/zinc/12/67/86/478126786.db2.gz YUXZAYCTPNDXRJ-INIZCTEOSA-N 2 2 330.476 2.771 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129842 478126824 /nfs/dbraw/zinc/12/68/24/478126824.db2.gz ZRFQDPQRLAOWMC-INIZCTEOSA-N 2 2 328.460 2.547 20 30 EFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451679439 478154447 /nfs/dbraw/zinc/15/44/47/478154447.db2.gz GYIXCBXASNJZTE-AQNXPRMDSA-N 2 2 330.472 2.601 20 30 EFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451679439 478154453 /nfs/dbraw/zinc/15/44/53/478154453.db2.gz GYIXCBXASNJZTE-AQNXPRMDSA-N 2 2 330.472 2.601 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369536 478248974 /nfs/dbraw/zinc/24/89/74/478248974.db2.gz OUDQKRNWRAWALR-OAHLLOKOSA-N 2 2 349.438 2.857 20 30 EFEDLP COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000581111149 478373347 /nfs/dbraw/zinc/37/33/47/478373347.db2.gz BWCDZPWJEXUUPD-UYAOXDASSA-N 2 2 345.487 2.722 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)CC3CC3)CC2)cc1 ZINC000594981811 478617362 /nfs/dbraw/zinc/61/73/62/478617362.db2.gz AHXNAEOJQJWBFQ-LJQANCHMSA-N 2 2 327.472 2.521 20 30 EFEDLP Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000591819221 478641047 /nfs/dbraw/zinc/64/10/47/478641047.db2.gz VZXDFTVLMLNWMX-HOTGVXAUSA-N 2 2 328.460 2.587 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000496310160 478646343 /nfs/dbraw/zinc/64/63/43/478646343.db2.gz RJVCJKTVTDSWGH-IBGZPJMESA-N 2 2 343.471 2.638 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000491718840 478647830 /nfs/dbraw/zinc/64/78/30/478647830.db2.gz WNFHKTZUPNOVGI-LJQANCHMSA-N 2 2 329.394 2.994 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000491718840 478647837 /nfs/dbraw/zinc/64/78/37/478647837.db2.gz WNFHKTZUPNOVGI-LJQANCHMSA-N 2 2 329.394 2.994 20 30 EFEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(F)cc1 ZINC000491748306 478660316 /nfs/dbraw/zinc/66/03/16/478660316.db2.gz DOMYMEMNHGUCEY-GOSISDBHSA-N 2 2 332.419 2.507 20 30 EFEDLP C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564848883 478830319 /nfs/dbraw/zinc/83/03/19/478830319.db2.gz OKSLEOSRXIMZQL-CVEARBPZSA-N 2 2 343.450 2.672 20 30 EFEDLP C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564848885 478830631 /nfs/dbraw/zinc/83/06/31/478830631.db2.gz OKSLEOSRXIMZQL-HOTGVXAUSA-N 2 2 343.450 2.672 20 30 EFEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000564861397 478838525 /nfs/dbraw/zinc/83/85/25/478838525.db2.gz AEUYXQMMYWPTOK-IBGZPJMESA-N 2 2 330.476 2.907 20 30 EFEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000564861397 478838534 /nfs/dbraw/zinc/83/85/34/478838534.db2.gz AEUYXQMMYWPTOK-IBGZPJMESA-N 2 2 330.476 2.907 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000598700415 478980058 /nfs/dbraw/zinc/98/00/58/478980058.db2.gz NGYYWKKWDIIKFM-GOSISDBHSA-N 2 2 329.488 2.714 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000598700415 478980065 /nfs/dbraw/zinc/98/00/65/478980065.db2.gz NGYYWKKWDIIKFM-GOSISDBHSA-N 2 2 329.488 2.714 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3cccc(C#N)c3)c2cc1C ZINC000515055492 479111768 /nfs/dbraw/zinc/11/17/68/479111768.db2.gz VPAMKQJBPDGXDF-IBGZPJMESA-N 2 2 348.450 2.718 20 30 EFEDLP N#CCN1CCC([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000610812676 479195563 /nfs/dbraw/zinc/19/55/63/479195563.db2.gz HXKLRDUTINCNRI-UHFFFAOYSA-N 2 2 346.906 2.882 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCC(C[NH3+])CC3)CC2)c1 ZINC000593316240 479289692 /nfs/dbraw/zinc/28/96/92/479289692.db2.gz BGEKIXMKJYTATQ-UHFFFAOYSA-N 3 2 326.488 2.630 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000593324547 479296505 /nfs/dbraw/zinc/29/65/05/479296505.db2.gz WXKBRHJKEIPFTB-UHFFFAOYSA-N 3 2 326.488 2.502 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000593324590 479296916 /nfs/dbraw/zinc/29/69/16/479296916.db2.gz XUULFBARZJGICY-QUCCMNQESA-N 3 2 326.488 2.630 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000593324591 479296933 /nfs/dbraw/zinc/29/69/33/479296933.db2.gz XUULFBARZJGICY-UYAOXDASSA-N 3 2 326.488 2.630 20 30 EFEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390169 479366235 /nfs/dbraw/zinc/36/62/35/479366235.db2.gz HCURYKYDLXGGAB-UYAOXDASSA-N 2 2 327.472 2.882 20 30 EFEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390169 479366238 /nfs/dbraw/zinc/36/62/38/479366238.db2.gz HCURYKYDLXGGAB-UYAOXDASSA-N 2 2 327.472 2.882 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602499154 479369240 /nfs/dbraw/zinc/36/92/40/479369240.db2.gz NFVGDIRUBPIWSE-PKOBYXMFSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602499154 479369245 /nfs/dbraw/zinc/36/92/45/479369245.db2.gz NFVGDIRUBPIWSE-PKOBYXMFSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438653 479380632 /nfs/dbraw/zinc/38/06/32/479380632.db2.gz UMGGRZWSZDYVKY-QFBILLFUSA-N 2 2 327.472 2.927 20 30 EFEDLP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593682520 479421313 /nfs/dbraw/zinc/42/13/13/479421313.db2.gz RUFPCEYIXVSJKD-INIZCTEOSA-N 2 2 327.472 2.927 20 30 EFEDLP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593682521 479421984 /nfs/dbraw/zinc/42/19/84/479421984.db2.gz RUFPCEYIXVSJKD-MRXNPFEDSA-N 2 2 327.472 2.927 20 30 EFEDLP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000593693320 479425554 /nfs/dbraw/zinc/42/55/54/479425554.db2.gz UHTHXPWSKLGUKF-OXQOHEQNSA-N 2 2 338.499 2.737 20 30 EFEDLP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000593693320 479425557 /nfs/dbraw/zinc/42/55/57/479425557.db2.gz UHTHXPWSKLGUKF-OXQOHEQNSA-N 2 2 338.499 2.737 20 30 EFEDLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593701996 479429059 /nfs/dbraw/zinc/42/90/59/479429059.db2.gz JRKFSYKVZBFNSZ-DYESRHJHSA-N 3 2 340.515 2.843 20 30 EFEDLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593701996 479429062 /nfs/dbraw/zinc/42/90/62/479429062.db2.gz JRKFSYKVZBFNSZ-DYESRHJHSA-N 3 2 340.515 2.843 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000576696154 479582862 /nfs/dbraw/zinc/58/28/62/479582862.db2.gz DSPZTERANHBTNG-ZWKOTPCHSA-N 2 2 341.455 2.519 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000614461664 480314361 /nfs/dbraw/zinc/31/43/61/480314361.db2.gz CAPMQEWAWZGVDW-FQEVSTJZSA-N 2 2 326.488 2.742 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000653620692 481367731 /nfs/dbraw/zinc/36/77/31/481367731.db2.gz VPKPNXMBTRAYRS-FXAWDEMLSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000653620692 481367743 /nfs/dbraw/zinc/36/77/43/481367743.db2.gz VPKPNXMBTRAYRS-FXAWDEMLSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667837484 481840949 /nfs/dbraw/zinc/84/09/49/481840949.db2.gz UDZPYQAJCUDZPJ-QGZVFWFLSA-N 2 2 332.488 2.883 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667837483 481841169 /nfs/dbraw/zinc/84/11/69/481841169.db2.gz UDZPYQAJCUDZPJ-KRWDZBQOSA-N 2 2 332.488 2.883 20 30 EFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1sccc1C#N ZINC000177316359 521722295 /nfs/dbraw/zinc/72/22/95/521722295.db2.gz RBMDGNNNTMECAZ-CABCVRRESA-N 2 2 332.473 2.507 20 30 EFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1sccc1C#N ZINC000177316359 521722297 /nfs/dbraw/zinc/72/22/97/521722297.db2.gz RBMDGNNNTMECAZ-CABCVRRESA-N 2 2 332.473 2.507 20 30 EFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1sccc1C#N ZINC000177316359 521722298 /nfs/dbraw/zinc/72/22/98/521722298.db2.gz RBMDGNNNTMECAZ-CABCVRRESA-N 2 2 332.473 2.507 20 30 EFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1sccc1C#N ZINC000177316359 521722299 /nfs/dbraw/zinc/72/22/99/521722299.db2.gz RBMDGNNNTMECAZ-CABCVRRESA-N 2 2 332.473 2.507 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000154008062 524398625 /nfs/dbraw/zinc/39/86/25/524398625.db2.gz APMMVDWCDMDHFC-IRXDYDNUSA-N 2 2 344.478 2.688 20 30 EFEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1CCc2ccccc21 ZINC000174049458 526413090 /nfs/dbraw/zinc/41/30/90/526413090.db2.gz AJWGMBPIWKOPKT-QGZVFWFLSA-N 2 2 347.466 2.772 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000177907458 526454987 /nfs/dbraw/zinc/45/49/87/526454987.db2.gz CISVKEGFAYCDIX-QGZVFWFLSA-N 3 2 331.504 2.928 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000177905869 526455071 /nfs/dbraw/zinc/45/50/71/526455071.db2.gz WTAGFECLDLZSIA-OAHLLOKOSA-N 2 2 329.444 2.944 20 30 EFEDLP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181767705 527703296 /nfs/dbraw/zinc/70/32/96/527703296.db2.gz LAWNPYJFTPSQGI-IBGZPJMESA-N 2 2 329.488 2.909 20 30 EFEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557806 528254607 /nfs/dbraw/zinc/25/46/07/528254607.db2.gz GUPVJUSAYTWZAZ-FQEVSTJZSA-N 3 2 340.515 2.844 20 30 EFEDLP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557806 528254610 /nfs/dbraw/zinc/25/46/10/528254610.db2.gz GUPVJUSAYTWZAZ-FQEVSTJZSA-N 3 2 340.515 2.844 20 30 EFEDLP CC[NH+]=C(NCCc1ccco1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160101115 528808154 /nfs/dbraw/zinc/80/81/54/528808154.db2.gz QVWNUEQITFCULU-RDJZCZTQSA-N 2 2 329.448 2.567 20 30 EFEDLP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181738017 528830955 /nfs/dbraw/zinc/83/09/55/528830955.db2.gz ARTYGZUFZNQMQN-FQEVSTJZSA-N 2 2 329.488 2.909 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000328638982 535161038 /nfs/dbraw/zinc/16/10/38/535161038.db2.gz BVRDEPRCSNXMHU-QGZVFWFLSA-N 2 2 331.460 2.929 20 30 EFEDLP CCc1nn(C)cc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344070542 535827304 /nfs/dbraw/zinc/82/73/04/535827304.db2.gz JBJJWBQLNUSDOP-UHFFFAOYSA-N 2 2 337.471 2.608 20 30 EFEDLP C[NH+]1CCC(CNC(=O)c2ncoc2C2CC2)([NH+]2CCCCC2)CC1 ZINC000328883267 536335785 /nfs/dbraw/zinc/33/57/85/536335785.db2.gz NFKRFJWRNRHXKB-UHFFFAOYSA-N 2 2 346.475 2.807 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)nn1 ZINC000657379729 547137402 /nfs/dbraw/zinc/13/74/02/547137402.db2.gz ASZIMJWWWPDYOY-SFHVURJKSA-N 2 2 336.443 2.661 20 30 EFEDLP Cc1noc(C)c1[C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000671242919 547548055 /nfs/dbraw/zinc/54/80/55/547548055.db2.gz VEMVIYCIMJXXTG-TXEJJXNPSA-N 2 2 330.432 2.901 20 30 EFEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478390 548711353 /nfs/dbraw/zinc/71/13/53/548711353.db2.gz WKUKDFLYDFUPQE-WOJBJXKFSA-N 2 2 340.515 2.718 20 30 EFEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478390 548711357 /nfs/dbraw/zinc/71/13/57/548711357.db2.gz WKUKDFLYDFUPQE-WOJBJXKFSA-N 2 2 340.515 2.718 20 30 EFEDLP C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000755790830 575635410 /nfs/dbraw/zinc/63/54/10/575635410.db2.gz ONKWLGQUCUHCMU-OAHLLOKOSA-N 2 2 327.428 2.852 20 30 EFEDLP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000755790830 575635411 /nfs/dbraw/zinc/63/54/11/575635411.db2.gz ONKWLGQUCUHCMU-OAHLLOKOSA-N 2 2 327.428 2.852 20 30 EFEDLP CC[NH+](CC)CCCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758250005 575864833 /nfs/dbraw/zinc/86/48/33/575864833.db2.gz SLJNEBOFKLFOOG-UHFFFAOYSA-N 2 2 330.476 2.511 20 30 EFEDLP c1cn(-c2ccc(N=NC3CC[NH+](C4CCCCC4)CC3)nn2)c[nH+]1 ZINC000761834293 576217149 /nfs/dbraw/zinc/21/71/49/576217149.db2.gz HQUUWBJAJYCRDL-UHFFFAOYSA-N 2 2 339.447 2.859 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cccc3nsnc32)cc1 ZINC000764563653 576472629 /nfs/dbraw/zinc/47/26/29/576472629.db2.gz KAZUTMQKPLOITC-UHFFFAOYSA-N 2 2 341.440 2.590 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107467 577007281 /nfs/dbraw/zinc/00/72/81/577007281.db2.gz SWQPGBNAWSUBPZ-ICSRJNTNSA-N 2 2 335.455 2.795 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107467 577007283 /nfs/dbraw/zinc/00/72/83/577007283.db2.gz SWQPGBNAWSUBPZ-ICSRJNTNSA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107467 577007286 /nfs/dbraw/zinc/00/72/86/577007286.db2.gz SWQPGBNAWSUBPZ-ICSRJNTNSA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107467 577007288 /nfs/dbraw/zinc/00/72/88/577007288.db2.gz SWQPGBNAWSUBPZ-ICSRJNTNSA-N 2 2 335.455 2.795 20 30 EFEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@H+](Cc2ccccc2)C1 ZINC000767388990 577207067 /nfs/dbraw/zinc/20/70/67/577207067.db2.gz ZFQNFYMFIGKOTJ-MNEFBYGVSA-N 2 2 339.487 2.744 20 30 EFEDLP C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C[N@@H+](Cc2ccccc2)C1 ZINC000767388990 577207068 /nfs/dbraw/zinc/20/70/68/577207068.db2.gz ZFQNFYMFIGKOTJ-MNEFBYGVSA-N 2 2 339.487 2.744 20 30 EFEDLP C=CCOc1cccc(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1 ZINC000769489369 577366668 /nfs/dbraw/zinc/36/66/68/577366668.db2.gz YQUFGQOSPIXWAE-OAHLLOKOSA-N 2 2 331.485 2.860 20 30 EFEDLP Cn1c2ccccc2nc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771563067 581223009 /nfs/dbraw/zinc/22/30/09/581223009.db2.gz LBRXZVXPHZNVEA-UHFFFAOYSA-N 2 2 348.454 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001752310132 1249401871 /nfs/dbraw/zinc/40/18/71/1249401871.db2.gz JOJKFLXKLDRPFR-MRXNPFEDSA-N 2 2 332.492 2.630 20 30 EFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850558424 1250536498 /nfs/dbraw/zinc/53/64/98/1250536498.db2.gz WIXRLVDDFFMHJD-APWZRJJASA-N 2 2 328.456 2.603 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943517517 1253084734 /nfs/dbraw/zinc/08/47/34/1253084734.db2.gz OZOVZAXUSYTUOJ-WMZOPIPTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943517517 1253084750 /nfs/dbraw/zinc/08/47/50/1253084750.db2.gz OZOVZAXUSYTUOJ-WMZOPIPTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC000995960953 1254888760 /nfs/dbraw/zinc/88/87/60/1254888760.db2.gz RERJDBFAYLZZSH-HNNXBMFYSA-N 2 2 332.835 2.756 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481095 1255934920 /nfs/dbraw/zinc/93/49/20/1255934920.db2.gz GRQQJZQTOKPSCK-YLJYHZDGSA-N 2 2 344.503 2.680 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481095 1255934925 /nfs/dbraw/zinc/93/49/25/1255934925.db2.gz GRQQJZQTOKPSCK-YLJYHZDGSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491883 1255989662 /nfs/dbraw/zinc/98/96/62/1255989662.db2.gz OEAPNKUDTGVGPP-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491883 1255989666 /nfs/dbraw/zinc/98/96/66/1255989666.db2.gz OEAPNKUDTGVGPP-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574208 1256171069 /nfs/dbraw/zinc/17/10/69/1256171069.db2.gz SXIPKSYQZZLJIR-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574208 1256171079 /nfs/dbraw/zinc/17/10/79/1256171079.db2.gz SXIPKSYQZZLJIR-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574208 1256171091 /nfs/dbraw/zinc/17/10/91/1256171091.db2.gz SXIPKSYQZZLJIR-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574208 1256171099 /nfs/dbraw/zinc/17/10/99/1256171099.db2.gz SXIPKSYQZZLJIR-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997147134 1257072025 /nfs/dbraw/zinc/07/20/25/1257072025.db2.gz NLQAAYIXOZZZBO-DJIMGWMZSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000997147134 1257072034 /nfs/dbraw/zinc/07/20/34/1257072034.db2.gz NLQAAYIXOZZZBO-DJIMGWMZSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997182836 1257216547 /nfs/dbraw/zinc/21/65/47/1257216547.db2.gz INLJUGJSHKBSCQ-PBHICJAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997182836 1257216550 /nfs/dbraw/zinc/21/65/50/1257216550.db2.gz INLJUGJSHKBSCQ-PBHICJAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997185519 1257228158 /nfs/dbraw/zinc/22/81/58/1257228158.db2.gz GXNYXQKIIBGPOO-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000998006762 1258937672 /nfs/dbraw/zinc/93/76/72/1258937672.db2.gz MCJGWRZDHMSFDB-GOSISDBHSA-N 2 2 338.455 2.593 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000998006762 1258937678 /nfs/dbraw/zinc/93/76/78/1258937678.db2.gz MCJGWRZDHMSFDB-GOSISDBHSA-N 2 2 338.455 2.593 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998042733 1259013604 /nfs/dbraw/zinc/01/36/04/1259013604.db2.gz ALNCRYWYFOZZHY-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998042733 1259013606 /nfs/dbraw/zinc/01/36/06/1259013606.db2.gz ALNCRYWYFOZZHY-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045124 1259017368 /nfs/dbraw/zinc/01/73/68/1259017368.db2.gz JGGHGAXTRYHTQB-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045124 1259017376 /nfs/dbraw/zinc/01/73/76/1259017376.db2.gz JGGHGAXTRYHTQB-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047572 1259023007 /nfs/dbraw/zinc/02/30/07/1259023007.db2.gz QOQAGRRCARPPEY-SJORKVTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047572 1259023016 /nfs/dbraw/zinc/02/30/16/1259023016.db2.gz QOQAGRRCARPPEY-SJORKVTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047572 1259023022 /nfs/dbraw/zinc/02/30/22/1259023022.db2.gz QOQAGRRCARPPEY-SJORKVTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047572 1259023028 /nfs/dbraw/zinc/02/30/28/1259023028.db2.gz QOQAGRRCARPPEY-SJORKVTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050706 1259026151 /nfs/dbraw/zinc/02/61/51/1259026151.db2.gz IDMWRFXUJNGJAV-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050706 1259026158 /nfs/dbraw/zinc/02/61/58/1259026158.db2.gz IDMWRFXUJNGJAV-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078661736 1262117085 /nfs/dbraw/zinc/11/70/85/1262117085.db2.gz WQQGGSSFSCPNOH-HZPDHXFCSA-N 2 2 344.846 2.946 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383576 1263884504 /nfs/dbraw/zinc/88/45/04/1263884504.db2.gz RYEZOAIHESPFTB-GDBMZVCRSA-N 2 2 333.501 2.532 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383576 1263884512 /nfs/dbraw/zinc/88/45/12/1263884512.db2.gz RYEZOAIHESPFTB-GDBMZVCRSA-N 2 2 333.501 2.532 20 30 EFEDLP C=C(C)CC[NH+]1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001003798463 1265208225 /nfs/dbraw/zinc/20/82/25/1265208225.db2.gz ZPLWKHYMJZWRTD-UHFFFAOYSA-N 2 2 340.471 2.732 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004461214 1267102515 /nfs/dbraw/zinc/10/25/15/1267102515.db2.gz YSAKXCWRKOJTDF-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004461214 1267102519 /nfs/dbraw/zinc/10/25/19/1267102519.db2.gz YSAKXCWRKOJTDF-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004461214 1267102524 /nfs/dbraw/zinc/10/25/24/1267102524.db2.gz YSAKXCWRKOJTDF-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004461214 1267102526 /nfs/dbraw/zinc/10/25/26/1267102526.db2.gz YSAKXCWRKOJTDF-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004571915 1267308387 /nfs/dbraw/zinc/30/83/87/1267308387.db2.gz XHHQRMZSUOUDJP-IEBWSBKVSA-N 2 2 342.487 2.561 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004571915 1267308393 /nfs/dbraw/zinc/30/83/93/1267308393.db2.gz XHHQRMZSUOUDJP-IEBWSBKVSA-N 2 2 342.487 2.561 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146808 1267355493 /nfs/dbraw/zinc/35/54/93/1267355493.db2.gz QODGVNJEBZYQNX-IRXDYDNUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146808 1267355505 /nfs/dbraw/zinc/35/55/05/1267355505.db2.gz QODGVNJEBZYQNX-IRXDYDNUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033146808 1267355518 /nfs/dbraw/zinc/35/55/18/1267355518.db2.gz QODGVNJEBZYQNX-IRXDYDNUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033146808 1267355528 /nfs/dbraw/zinc/35/55/28/1267355528.db2.gz QODGVNJEBZYQNX-IRXDYDNUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001168746243 1267842863 /nfs/dbraw/zinc/84/28/63/1267842863.db2.gz GGXNGGGZTQVKQU-SFHVURJKSA-N 3 2 327.476 2.604 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001168746243 1267842879 /nfs/dbraw/zinc/84/28/79/1267842879.db2.gz GGXNGGGZTQVKQU-SFHVURJKSA-N 3 2 327.476 2.604 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573739 1269474177 /nfs/dbraw/zinc/47/41/77/1269474177.db2.gz JEDOCFCMRNUNED-DLBZAZTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573739 1269474183 /nfs/dbraw/zinc/47/41/83/1269474183.db2.gz JEDOCFCMRNUNED-DLBZAZTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573739 1269474187 /nfs/dbraw/zinc/47/41/87/1269474187.db2.gz JEDOCFCMRNUNED-DLBZAZTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573739 1269474191 /nfs/dbraw/zinc/47/41/91/1269474191.db2.gz JEDOCFCMRNUNED-DLBZAZTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033828668 1270339823 /nfs/dbraw/zinc/33/98/23/1270339823.db2.gz RBHCZHVZPXYTAS-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033828668 1270339827 /nfs/dbraw/zinc/33/98/27/1270339827.db2.gz RBHCZHVZPXYTAS-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033828668 1270339838 /nfs/dbraw/zinc/33/98/38/1270339838.db2.gz RBHCZHVZPXYTAS-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033828668 1270339850 /nfs/dbraw/zinc/33/98/50/1270339850.db2.gz RBHCZHVZPXYTAS-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033828662 1270340643 /nfs/dbraw/zinc/34/06/43/1270340643.db2.gz RBHCZHVZPXYTAS-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033828662 1270340648 /nfs/dbraw/zinc/34/06/48/1270340648.db2.gz RBHCZHVZPXYTAS-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033828662 1270340655 /nfs/dbraw/zinc/34/06/55/1270340655.db2.gz RBHCZHVZPXYTAS-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033828662 1270340659 /nfs/dbraw/zinc/34/06/59/1270340659.db2.gz RBHCZHVZPXYTAS-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855549 1270398331 /nfs/dbraw/zinc/39/83/31/1270398331.db2.gz KHMOQUALAHDYNE-SJORKVTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855549 1270398332 /nfs/dbraw/zinc/39/83/32/1270398332.db2.gz KHMOQUALAHDYNE-SJORKVTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855549 1270398335 /nfs/dbraw/zinc/39/83/35/1270398335.db2.gz KHMOQUALAHDYNE-SJORKVTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855549 1270398340 /nfs/dbraw/zinc/39/83/40/1270398340.db2.gz KHMOQUALAHDYNE-SJORKVTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001437612051 1270502416 /nfs/dbraw/zinc/50/24/16/1270502416.db2.gz GBMGWJBNKHGZEW-UHFFFAOYSA-N 2 2 329.916 2.689 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001437612051 1270502419 /nfs/dbraw/zinc/50/24/19/1270502419.db2.gz GBMGWJBNKHGZEW-UHFFFAOYSA-N 2 2 329.916 2.689 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932256 1270618370 /nfs/dbraw/zinc/61/83/70/1270618370.db2.gz JZJRGNJXKXGPAC-IAGOWNOFSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932256 1270618378 /nfs/dbraw/zinc/61/83/78/1270618378.db2.gz JZJRGNJXKXGPAC-IAGOWNOFSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932256 1270618385 /nfs/dbraw/zinc/61/83/85/1270618385.db2.gz JZJRGNJXKXGPAC-IAGOWNOFSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932256 1270618391 /nfs/dbraw/zinc/61/83/91/1270618391.db2.gz JZJRGNJXKXGPAC-IAGOWNOFSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203326 1271317833 /nfs/dbraw/zinc/31/78/33/1271317833.db2.gz DUZLSBZYLHBODQ-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203326 1271317839 /nfs/dbraw/zinc/31/78/39/1271317839.db2.gz DUZLSBZYLHBODQ-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203326 1271317849 /nfs/dbraw/zinc/31/78/49/1271317849.db2.gz DUZLSBZYLHBODQ-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203326 1271317856 /nfs/dbraw/zinc/31/78/56/1271317856.db2.gz DUZLSBZYLHBODQ-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206519 1271353044 /nfs/dbraw/zinc/35/30/44/1271353044.db2.gz JYVPPIMGPGDUCE-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206519 1271353055 /nfs/dbraw/zinc/35/30/55/1271353055.db2.gz JYVPPIMGPGDUCE-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206104 1271384713 /nfs/dbraw/zinc/38/47/13/1271384713.db2.gz GLHISZGMERMOSP-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206104 1271384717 /nfs/dbraw/zinc/38/47/17/1271384717.db2.gz GLHISZGMERMOSP-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390603 1271866246 /nfs/dbraw/zinc/86/62/46/1271866246.db2.gz DWRPNYISKHNKOJ-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390603 1271866262 /nfs/dbraw/zinc/86/62/62/1271866262.db2.gz DWRPNYISKHNKOJ-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543281 1272568542 /nfs/dbraw/zinc/56/85/42/1272568542.db2.gz QQXOHOXZGMXVQB-ZWOKBUDYSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543281 1272568550 /nfs/dbraw/zinc/56/85/50/1272568550.db2.gz QQXOHOXZGMXVQB-ZWOKBUDYSA-N 2 2 344.503 2.773 20 30 EFEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730302 1273417752 /nfs/dbraw/zinc/41/77/52/1273417752.db2.gz JFVOZCZDCZQBIJ-KSZLIROESA-N 2 2 325.456 2.613 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108836561 1273545907 /nfs/dbraw/zinc/54/59/07/1273545907.db2.gz XNLOSQBJAXYEQX-BZSNNMDCSA-N 2 2 330.476 2.599 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035230642 1273938689 /nfs/dbraw/zinc/93/86/89/1273938689.db2.gz AUXMSERHDARCQI-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035230642 1273938695 /nfs/dbraw/zinc/93/86/95/1273938695.db2.gz AUXMSERHDARCQI-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035251996 1273976788 /nfs/dbraw/zinc/97/67/88/1273976788.db2.gz JSMYMHNKGDHWFB-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035251996 1273976794 /nfs/dbraw/zinc/97/67/94/1273976794.db2.gz JSMYMHNKGDHWFB-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035744193 1274403797 /nfs/dbraw/zinc/40/37/97/1274403797.db2.gz YZXLDBAEDDKOPY-UHFFFAOYSA-N 2 2 344.846 2.625 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549113 1274409983 /nfs/dbraw/zinc/40/99/83/1274409983.db2.gz KIQRQANMAVVQRN-SQNIBIBYSA-N 2 2 344.503 2.821 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549113 1274409990 /nfs/dbraw/zinc/40/99/90/1274409990.db2.gz KIQRQANMAVVQRN-SQNIBIBYSA-N 2 2 344.503 2.821 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571892 1275237557 /nfs/dbraw/zinc/23/75/57/1275237557.db2.gz SPFLVAFZMIJZBG-PXNSSMCTSA-N 2 2 344.503 2.537 20 30 EFEDLP C[N@H+](CCO[NH+]=C(N)c1ccc2c(c1)CCO2)Cc1ccc(F)cc1 ZINC000786750139 1275506848 /nfs/dbraw/zinc/50/68/48/1275506848.db2.gz ZUNJZUAHCIVQTK-UHFFFAOYSA-N 2 2 343.402 2.530 20 30 EFEDLP C[N@@H+](CCO[NH+]=C(N)c1ccc2c(c1)CCO2)Cc1ccc(F)cc1 ZINC000786750139 1275506855 /nfs/dbraw/zinc/50/68/55/1275506855.db2.gz ZUNJZUAHCIVQTK-UHFFFAOYSA-N 2 2 343.402 2.530 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786831457 1275536323 /nfs/dbraw/zinc/53/63/23/1275536323.db2.gz JHUBYTCOWJFQDW-OAHLLOKOSA-N 2 2 328.460 2.517 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001112964969 1276352628 /nfs/dbraw/zinc/35/26/28/1276352628.db2.gz CXMSDGANYRNJJA-QGZVFWFLSA-N 2 2 332.492 2.875 20 30 EFEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817916699 1276375743 /nfs/dbraw/zinc/37/57/43/1276375743.db2.gz AOFNRXNZIJGCOK-HYVNUMGLSA-N 2 2 331.460 2.996 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(CC[NH3+])cc3)CC2)cc1 ZINC000817950559 1276396267 /nfs/dbraw/zinc/39/62/67/1276396267.db2.gz ZXNOMGRUOYKELR-UHFFFAOYSA-N 3 2 348.494 2.814 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170893604 1276498358 /nfs/dbraw/zinc/49/83/58/1276498358.db2.gz FGEHESFKLRBRFE-INIZCTEOSA-N 2 2 332.492 2.603 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170893556 1276498452 /nfs/dbraw/zinc/49/84/52/1276498452.db2.gz DVKAHBSXVDNMQV-MRXNPFEDSA-N 2 2 332.492 2.603 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819023978 1276593550 /nfs/dbraw/zinc/59/35/50/1276593550.db2.gz LWMFYVYHPKWDKQ-MRXNPFEDSA-N 2 2 328.378 2.979 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000819022479 1276593755 /nfs/dbraw/zinc/59/37/55/1276593755.db2.gz OWZGSDGKFQYTLA-MRXNPFEDSA-N 2 2 328.378 2.979 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001113111217 1276941495 /nfs/dbraw/zinc/94/14/95/1276941495.db2.gz MUBJADGASXRCQS-UHFFFAOYSA-N 2 2 346.519 2.877 20 30 EFEDLP C#CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205154 1287476332 /nfs/dbraw/zinc/47/63/32/1287476332.db2.gz UCWQSNOLPLNUJL-FCHUYYIVSA-N 2 2 334.463 2.978 20 30 EFEDLP C#CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205154 1287476338 /nfs/dbraw/zinc/47/63/38/1287476338.db2.gz UCWQSNOLPLNUJL-FCHUYYIVSA-N 2 2 334.463 2.978 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001147742367 1281259751 /nfs/dbraw/zinc/25/97/51/1281259751.db2.gz ISWFZOOCHAOLOX-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001147742367 1281259756 /nfs/dbraw/zinc/25/97/56/1281259756.db2.gz ISWFZOOCHAOLOX-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001147742367 1281259762 /nfs/dbraw/zinc/25/97/62/1281259762.db2.gz ISWFZOOCHAOLOX-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001147742367 1281259773 /nfs/dbraw/zinc/25/97/73/1281259773.db2.gz ISWFZOOCHAOLOX-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001147774586 1281260244 /nfs/dbraw/zinc/26/02/44/1281260244.db2.gz YTGNEKUTMOLSDI-KRWDZBQOSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001147774586 1281260255 /nfs/dbraw/zinc/26/02/55/1281260255.db2.gz YTGNEKUTMOLSDI-KRWDZBQOSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670439 1281368671 /nfs/dbraw/zinc/36/86/71/1281368671.db2.gz NOOJVCSNIPDCLF-XLIONFOSSA-N 2 2 338.455 2.613 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670439 1281368682 /nfs/dbraw/zinc/36/86/82/1281368682.db2.gz NOOJVCSNIPDCLF-XLIONFOSSA-N 2 2 338.455 2.613 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188790 1287525697 /nfs/dbraw/zinc/52/56/97/1287525697.db2.gz QLVSQLPCZRWBIR-IKGGRYGDSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188790 1287525702 /nfs/dbraw/zinc/52/57/02/1287525702.db2.gz QLVSQLPCZRWBIR-IKGGRYGDSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948436 1281957784 /nfs/dbraw/zinc/95/77/84/1281957784.db2.gz YFHKXQPEQWQFJV-SJORKVTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948436 1281957792 /nfs/dbraw/zinc/95/77/92/1281957792.db2.gz YFHKXQPEQWQFJV-SJORKVTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097109 1287592538 /nfs/dbraw/zinc/59/25/38/1287592538.db2.gz HOBBOMCFVDZIKW-HZPDHXFCSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608016 1282842377 /nfs/dbraw/zinc/84/23/77/1282842377.db2.gz HROVSBBKBJDMFJ-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608016 1282842383 /nfs/dbraw/zinc/84/23/83/1282842383.db2.gz HROVSBBKBJDMFJ-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717584 1283222552 /nfs/dbraw/zinc/22/25/52/1283222552.db2.gz YBUAGRUFEXFSGC-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717584 1283222558 /nfs/dbraw/zinc/22/25/58/1283222558.db2.gz YBUAGRUFEXFSGC-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748997 1283395917 /nfs/dbraw/zinc/39/59/17/1283395917.db2.gz PDBGGFFWIOBGIS-ROUUACIJSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748997 1283395925 /nfs/dbraw/zinc/39/59/25/1283395925.db2.gz PDBGGFFWIOBGIS-ROUUACIJSA-N 2 2 344.503 2.816 20 30 EFEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171407879 1283763341 /nfs/dbraw/zinc/76/33/41/1283763341.db2.gz FSLPEAWBLZGJPR-MSOLQXFVSA-N 2 2 332.492 2.758 20 30 EFEDLP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093382854 1283853634 /nfs/dbraw/zinc/85/36/34/1283853634.db2.gz CRKUXNUEFQGGHX-LJQANCHMSA-N 2 2 342.487 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093382854 1283853642 /nfs/dbraw/zinc/85/36/42/1283853642.db2.gz CRKUXNUEFQGGHX-LJQANCHMSA-N 2 2 342.487 2.552 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000815652620 1287671975 /nfs/dbraw/zinc/67/19/75/1287671975.db2.gz JYWKQHGRUSVBBM-GFCCVEGCSA-N 2 2 325.250 2.760 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000815652620 1287671978 /nfs/dbraw/zinc/67/19/78/1287671978.db2.gz JYWKQHGRUSVBBM-GFCCVEGCSA-N 2 2 325.250 2.760 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176143358 1287700886 /nfs/dbraw/zinc/70/08/86/1287700886.db2.gz BXHUOSRUMIDJEI-MRXNPFEDSA-N 2 2 341.459 2.722 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869572 1284424863 /nfs/dbraw/zinc/42/48/63/1284424863.db2.gz HDVAFCOKKSJBKY-HOTGVXAUSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869572 1284424867 /nfs/dbraw/zinc/42/48/67/1284424867.db2.gz HDVAFCOKKSJBKY-HOTGVXAUSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919311 1284466434 /nfs/dbraw/zinc/46/64/34/1284466434.db2.gz IFVIOHJARCDEKR-AEFFLSMTSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919314 1284467011 /nfs/dbraw/zinc/46/70/11/1284467011.db2.gz IFVIOHJARCDEKR-WMZOPIPTSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132921230 1284468766 /nfs/dbraw/zinc/46/87/66/1284468766.db2.gz YDSCYSSUBLZBKP-WMZOPIPTSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132920633 1284468960 /nfs/dbraw/zinc/46/89/60/1284468960.db2.gz TVCXRGAFHXRVCR-HOCLYGCPSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982558 1284568098 /nfs/dbraw/zinc/56/80/98/1284568098.db2.gz SUAIEAYHRLLXOH-SJORKVTESA-N 2 2 340.471 2.988 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132983397 1284570073 /nfs/dbraw/zinc/57/00/73/1284570073.db2.gz ZADVLKYPYJTEJL-HIFRSBDPSA-N 2 2 346.862 2.775 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135913 1284850633 /nfs/dbraw/zinc/85/06/33/1284850633.db2.gz ZCSZENIWLIIJNL-DLBZAZTESA-N 2 2 332.492 2.773 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135710 1284850941 /nfs/dbraw/zinc/85/09/41/1284850941.db2.gz VTOVGLFIPGSHMU-IAGOWNOFSA-N 2 2 334.508 2.997 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135914 1284851057 /nfs/dbraw/zinc/85/10/57/1284851057.db2.gz ZCSZENIWLIIJNL-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133241799 1285037392 /nfs/dbraw/zinc/03/73/92/1285037392.db2.gz KYIFEAGCKHDRNB-JKSUJKDBSA-N 2 2 332.492 2.728 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133241633 1285037476 /nfs/dbraw/zinc/03/74/76/1285037476.db2.gz KAACZPIMPRNWQD-QZTJIDSGSA-N 2 2 346.519 2.783 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355704 1285250216 /nfs/dbraw/zinc/25/02/16/1285250216.db2.gz ZWSVQIRQXDPENI-ZWKOTPCHSA-N 2 2 334.508 2.928 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486683 1285567676 /nfs/dbraw/zinc/56/76/76/1285567676.db2.gz NCTQIOCNBYTEES-CQSZACIVSA-N 2 2 339.867 2.650 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171474428 1285587003 /nfs/dbraw/zinc/58/70/03/1285587003.db2.gz BIPKOKMHDDMBMC-AWEZNQCLSA-N 2 2 340.899 2.944 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172306997 1286091832 /nfs/dbraw/zinc/09/18/32/1286091832.db2.gz ZHLYBHMRRXAIAM-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172306997 1286091835 /nfs/dbraw/zinc/09/18/35/1286091835.db2.gz ZHLYBHMRRXAIAM-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172306997 1286091838 /nfs/dbraw/zinc/09/18/38/1286091838.db2.gz ZHLYBHMRRXAIAM-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172306997 1286091840 /nfs/dbraw/zinc/09/18/40/1286091840.db2.gz ZHLYBHMRRXAIAM-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172307000 1286091889 /nfs/dbraw/zinc/09/18/89/1286091889.db2.gz ZHLYBHMRRXAIAM-QMMLZNLJSA-N 2 2 346.478 2.948 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705784 1289239106 /nfs/dbraw/zinc/23/91/06/1289239106.db2.gz NSGNXXGHGOPMGC-OAHLLOKOSA-N 2 2 326.872 2.853 20 30 EFEDLP N#CCC1CCC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173336098 1286529462 /nfs/dbraw/zinc/52/94/62/1286529462.db2.gz NIISXWIOJVXFAO-UHFFFAOYSA-N 2 2 325.416 2.750 20 30 EFEDLP N#CCC1CCC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173336098 1286529467 /nfs/dbraw/zinc/52/94/67/1286529467.db2.gz NIISXWIOJVXFAO-UHFFFAOYSA-N 2 2 325.416 2.750 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134375964 1286611549 /nfs/dbraw/zinc/61/15/49/1286611549.db2.gz GNMLVRIXYUTKJJ-STQMWFEESA-N 2 2 334.851 2.882 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(C)(C#N)CC4)C[C@H]3C2)cn1 ZINC001173595369 1286711034 /nfs/dbraw/zinc/71/10/34/1286711034.db2.gz XISUOLDDSVVTKB-UVHRUJRTSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(C)(C#N)CC4)C[C@H]3C2)cn1 ZINC001173595369 1286711042 /nfs/dbraw/zinc/71/10/42/1286711042.db2.gz XISUOLDDSVVTKB-UVHRUJRTSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(C)(C#N)CC4)C[C@H]3C2)cn1 ZINC001173595369 1286711053 /nfs/dbraw/zinc/71/10/53/1286711053.db2.gz XISUOLDDSVVTKB-UVHRUJRTSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(C)(C#N)CC4)C[C@H]3C2)cn1 ZINC001173595369 1286711063 /nfs/dbraw/zinc/71/10/63/1286711063.db2.gz XISUOLDDSVVTKB-UVHRUJRTSA-N 2 2 341.503 2.646 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402492 1287979909 /nfs/dbraw/zinc/97/99/09/1287979909.db2.gz YEHODXGKNROWKN-SJORKVTESA-N 2 2 334.508 2.972 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402489 1287979929 /nfs/dbraw/zinc/97/99/29/1287979929.db2.gz YEHODXGKNROWKN-DLBZAZTESA-N 2 2 334.508 2.972 20 30 EFEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176727903 1288084257 /nfs/dbraw/zinc/08/42/57/1288084257.db2.gz CPLXZJXIMXGPCN-OAHLLOKOSA-N 2 2 335.517 2.557 20 30 EFEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176727903 1288084263 /nfs/dbraw/zinc/08/42/63/1288084263.db2.gz CPLXZJXIMXGPCN-OAHLLOKOSA-N 2 2 335.517 2.557 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728855 1288085672 /nfs/dbraw/zinc/08/56/72/1288085672.db2.gz RBSNYXHABPFKRI-INIZCTEOSA-N 2 2 349.544 2.947 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728855 1288085679 /nfs/dbraw/zinc/08/56/79/1288085679.db2.gz RBSNYXHABPFKRI-INIZCTEOSA-N 2 2 349.544 2.947 20 30 EFEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177379241 1288409130 /nfs/dbraw/zinc/40/91/30/1288409130.db2.gz XOTSUPHJCQMDTO-UHFFFAOYSA-N 2 2 332.492 2.848 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177467241 1288432049 /nfs/dbraw/zinc/43/20/49/1288432049.db2.gz XPIKPBJKQKXUPO-UHFFFAOYSA-N 2 2 332.492 2.537 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]cn1C ZINC001177468702 1288432986 /nfs/dbraw/zinc/43/29/86/1288432986.db2.gz IJMFNFYNOORQMF-UHFFFAOYSA-N 2 2 332.492 2.537 20 30 EFEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840611 1288472236 /nfs/dbraw/zinc/47/22/36/1288472236.db2.gz MKYROZRNXFDGEU-JKSUJKDBSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135916698 1288597189 /nfs/dbraw/zinc/59/71/89/1288597189.db2.gz QWMLLULVTFOTCY-HOTGVXAUSA-N 2 2 341.459 2.720 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178977686 1288989678 /nfs/dbraw/zinc/98/96/78/1288989678.db2.gz BQILVOANEDBJPC-ZOBUZTSGSA-N 2 2 331.460 2.566 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179018793 1289005700 /nfs/dbraw/zinc/00/57/00/1289005700.db2.gz IUQBVIJWQJEVEW-KSZLIROESA-N 2 2 344.503 2.771 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179776749 1289251715 /nfs/dbraw/zinc/25/17/15/1289251715.db2.gz HTKWBIITMPKUCS-CYBMUJFWSA-N 2 2 326.872 2.607 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179776749 1289251719 /nfs/dbraw/zinc/25/17/19/1289251719.db2.gz HTKWBIITMPKUCS-CYBMUJFWSA-N 2 2 326.872 2.607 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001180386571 1289502568 /nfs/dbraw/zinc/50/25/68/1289502568.db2.gz DUQKBUKZAZXWBI-IBGZPJMESA-N 2 2 346.519 2.917 20 30 EFEDLP COc1cc(C#N)ccc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001136818633 1289527536 /nfs/dbraw/zinc/52/75/36/1289527536.db2.gz DZNNWCRYVAFOTL-UHFFFAOYSA-N 2 2 333.351 2.708 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001181895901 1289992850 /nfs/dbraw/zinc/99/28/50/1289992850.db2.gz HOKWKJXLEVIKRD-OXQOHEQNSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182579198 1290224030 /nfs/dbraw/zinc/22/40/30/1290224030.db2.gz DCPDXULMRVUDSV-GQIGUUNPSA-N 2 2 344.503 2.870 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767866 1290251168 /nfs/dbraw/zinc/25/11/68/1290251168.db2.gz OPNSTVKDJJQXKL-ZHALLVOQSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211313 1290440017 /nfs/dbraw/zinc/44/00/17/1290440017.db2.gz OOMDGSBKOQBKSX-MRXNPFEDSA-N 2 2 326.444 2.885 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399751 1290455873 /nfs/dbraw/zinc/45/58/73/1290455873.db2.gz NAWRZIGEVUIEAR-MAUKXSAKSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651421 1290489069 /nfs/dbraw/zinc/48/90/69/1290489069.db2.gz FLBQYDHAXRFIIO-SJLPKXTDSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184654433 1290489444 /nfs/dbraw/zinc/48/94/44/1290489444.db2.gz WFMQASZEYMGMMK-IRXDYDNUSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273491125 1290511665 /nfs/dbraw/zinc/51/16/65/1290511665.db2.gz BTELTPNWCUIYOD-LJQANCHMSA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273491125 1290511672 /nfs/dbraw/zinc/51/16/72/1290511672.db2.gz BTELTPNWCUIYOD-LJQANCHMSA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184797502 1290524703 /nfs/dbraw/zinc/52/47/03/1290524703.db2.gz DDDWVBNTRWKHMQ-JKSUJKDBSA-N 2 2 326.444 2.598 20 30 EFEDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001232842377 1312793666 /nfs/dbraw/zinc/79/36/66/1312793666.db2.gz BGJSVHJVORPVHA-VQIMIIECSA-N 2 2 345.512 2.800 20 30 EFEDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001232842377 1312793669 /nfs/dbraw/zinc/79/36/69/1312793669.db2.gz BGJSVHJVORPVHA-VQIMIIECSA-N 2 2 345.512 2.800 20 30 EFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001232842377 1312793672 /nfs/dbraw/zinc/79/36/72/1312793672.db2.gz BGJSVHJVORPVHA-VQIMIIECSA-N 2 2 345.512 2.800 20 30 EFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001232842377 1312793674 /nfs/dbraw/zinc/79/36/74/1312793674.db2.gz BGJSVHJVORPVHA-VQIMIIECSA-N 2 2 345.512 2.800 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586151 1290721445 /nfs/dbraw/zinc/72/14/45/1290721445.db2.gz FJWBGQRIXMZYCB-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185790143 1290763224 /nfs/dbraw/zinc/76/32/24/1290763224.db2.gz YBUKANJZFHRKCJ-MSOLQXFVSA-N 2 2 334.508 2.928 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001186329514 1290940640 /nfs/dbraw/zinc/94/06/40/1290940640.db2.gz MFZHGCAEWQXBQN-DLBZAZTESA-N 2 2 340.471 2.730 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001186329515 1290940664 /nfs/dbraw/zinc/94/06/64/1290940664.db2.gz MFZHGCAEWQXBQN-IAGOWNOFSA-N 2 2 340.471 2.730 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000876839319 1291042461 /nfs/dbraw/zinc/04/24/61/1291042461.db2.gz TVTJGZPNQVYCJQ-QGZVFWFLSA-N 2 2 342.487 2.949 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009055 1291105307 /nfs/dbraw/zinc/10/53/07/1291105307.db2.gz GDBNDLRLKIWHFK-JKSUJKDBSA-N 2 2 337.508 2.918 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158608 1291333753 /nfs/dbraw/zinc/33/37/53/1291333753.db2.gz MIIFOZGZRBVEEV-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158608 1291333762 /nfs/dbraw/zinc/33/37/62/1291333762.db2.gz MIIFOZGZRBVEEV-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158608 1291333774 /nfs/dbraw/zinc/33/37/74/1291333774.db2.gz MIIFOZGZRBVEEV-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158608 1291333784 /nfs/dbraw/zinc/33/37/84/1291333784.db2.gz MIIFOZGZRBVEEV-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001233081836 1312851532 /nfs/dbraw/zinc/85/15/32/1312851532.db2.gz QUYILNQHLJEASJ-WOJBJXKFSA-N 2 2 332.451 2.826 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511301 1291697546 /nfs/dbraw/zinc/69/75/46/1291697546.db2.gz IJUHSTZZLSPIJI-VQTJNVASSA-N 2 2 327.472 2.843 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511301 1291697554 /nfs/dbraw/zinc/69/75/54/1291697554.db2.gz IJUHSTZZLSPIJI-VQTJNVASSA-N 2 2 327.472 2.843 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957619018 1291898683 /nfs/dbraw/zinc/89/86/83/1291898683.db2.gz NNQJRANHOASKTC-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957619018 1291898694 /nfs/dbraw/zinc/89/86/94/1291898694.db2.gz NNQJRANHOASKTC-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203229361 1312892430 /nfs/dbraw/zinc/89/24/30/1312892430.db2.gz FJDWLSUDEGNSPG-OALUTQOASA-N 2 2 348.450 2.526 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476052 1312902914 /nfs/dbraw/zinc/90/29/14/1312902914.db2.gz BOOJDYXVXDMXMM-ZWKOTPCHSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476052 1312902919 /nfs/dbraw/zinc/90/29/19/1312902919.db2.gz BOOJDYXVXDMXMM-ZWKOTPCHSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001016685400 1312924537 /nfs/dbraw/zinc/92/45/37/1312924537.db2.gz ONBBRNIMFPEOQL-SFHVURJKSA-N 2 2 343.471 2.570 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008741 1292422191 /nfs/dbraw/zinc/42/21/91/1292422191.db2.gz AIGABYPZMBKNSD-MJGOQNOKSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008741 1292422195 /nfs/dbraw/zinc/42/21/95/1292422195.db2.gz AIGABYPZMBKNSD-MJGOQNOKSA-N 2 2 344.503 2.725 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010395 1292423823 /nfs/dbraw/zinc/42/38/23/1292423823.db2.gz LRCLUDHOXGNXEY-MJGOQNOKSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010395 1292423835 /nfs/dbraw/zinc/42/38/35/1292423835.db2.gz LRCLUDHOXGNXEY-MJGOQNOKSA-N 2 2 346.519 2.949 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012454 1292424953 /nfs/dbraw/zinc/42/49/53/1292424953.db2.gz ZRCIGXHXTFQCDP-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012454 1292424958 /nfs/dbraw/zinc/42/49/58/1292424958.db2.gz ZRCIGXHXTFQCDP-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001049507554 1312940812 /nfs/dbraw/zinc/94/08/12/1312940812.db2.gz KDCXTLMYQQCKLS-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049507554 1312940815 /nfs/dbraw/zinc/94/08/15/1312940815.db2.gz KDCXTLMYQQCKLS-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049507554 1312940819 /nfs/dbraw/zinc/94/08/19/1312940819.db2.gz KDCXTLMYQQCKLS-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049507554 1312940821 /nfs/dbraw/zinc/94/08/21/1312940821.db2.gz KDCXTLMYQQCKLS-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203540208 1312950744 /nfs/dbraw/zinc/95/07/44/1312950744.db2.gz UIIBDGUZQTZWLL-HZPDHXFCSA-N 2 2 330.476 2.716 20 30 EFEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203564177 1312957624 /nfs/dbraw/zinc/95/76/24/1312957624.db2.gz UDMOKVNKGXXHDG-RTBURBONSA-N 2 2 348.450 2.526 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545904 1312993968 /nfs/dbraw/zinc/99/39/68/1312993968.db2.gz NTGPIQFGNIZRTF-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545904 1312993971 /nfs/dbraw/zinc/99/39/71/1312993971.db2.gz NTGPIQFGNIZRTF-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194208308 1293553803 /nfs/dbraw/zinc/55/38/03/1293553803.db2.gz FEXKMBDTEQKVBI-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194208308 1293553808 /nfs/dbraw/zinc/55/38/08/1293553808.db2.gz FEXKMBDTEQKVBI-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001194208308 1293553813 /nfs/dbraw/zinc/55/38/13/1293553813.db2.gz FEXKMBDTEQKVBI-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001194208308 1293553819 /nfs/dbraw/zinc/55/38/19/1293553819.db2.gz FEXKMBDTEQKVBI-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126105 1294464328 /nfs/dbraw/zinc/46/43/28/1294464328.db2.gz SZIZTCNMWJRCRM-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126105 1294464331 /nfs/dbraw/zinc/46/43/31/1294464331.db2.gz SZIZTCNMWJRCRM-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1cccc(F)c1 ZINC000303785991 1294581564 /nfs/dbraw/zinc/58/15/64/1294581564.db2.gz QWSLBXUVKWEYQY-SFHVURJKSA-N 2 2 328.435 2.575 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303894453 1294599375 /nfs/dbraw/zinc/59/93/75/1294599375.db2.gz OVKPMJGZYILLGH-QGZVFWFLSA-N 2 2 330.407 2.864 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198001777 1294825546 /nfs/dbraw/zinc/82/55/46/1294825546.db2.gz GCVFUQLLTCEJPG-UHFFFAOYSA-N 2 2 334.508 2.857 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198001777 1294825555 /nfs/dbraw/zinc/82/55/55/1294825555.db2.gz GCVFUQLLTCEJPG-UHFFFAOYSA-N 2 2 334.508 2.857 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001049714360 1313215378 /nfs/dbraw/zinc/21/53/78/1313215378.db2.gz MUFOPGWNWPFYKT-CGTJXYLNSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001049714360 1313215382 /nfs/dbraw/zinc/21/53/82/1313215382.db2.gz MUFOPGWNWPFYKT-CGTJXYLNSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758035 1313266921 /nfs/dbraw/zinc/26/69/21/1313266921.db2.gz FYQYOEDXRFNQSO-KZNAEPCWSA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758035 1313266925 /nfs/dbraw/zinc/26/69/25/1313266925.db2.gz FYQYOEDXRFNQSO-KZNAEPCWSA-N 2 2 330.476 2.866 20 30 EFEDLP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001276242356 1296671788 /nfs/dbraw/zinc/67/17/88/1296671788.db2.gz KLVCNMPYRDEQDZ-UHFFFAOYSA-N 2 2 344.478 2.547 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500488 1313300516 /nfs/dbraw/zinc/30/05/16/1313300516.db2.gz YFLWONFWXMCZPI-GOSISDBHSA-N 2 2 332.492 2.875 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201301366 1296713555 /nfs/dbraw/zinc/71/35/55/1296713555.db2.gz YHOSHTPXVJOCSO-QGZVFWFLSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201321233 1296726392 /nfs/dbraw/zinc/72/63/92/1296726392.db2.gz JBHHZGLVMBJNSS-QGZVFWFLSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521914 1313304645 /nfs/dbraw/zinc/30/46/45/1313304645.db2.gz JCNYBTYEGXCJDY-UHFFFAOYSA-N 2 2 326.444 2.971 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205522208 1313304657 /nfs/dbraw/zinc/30/46/57/1313304657.db2.gz RGXAMBALHMSSCR-UHFFFAOYSA-N 2 2 326.444 2.971 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001110564662 1296808720 /nfs/dbraw/zinc/80/87/20/1296808720.db2.gz OEMUIYOTWVRJOE-KURKYZTESA-N 2 2 338.455 2.944 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001110564662 1296808741 /nfs/dbraw/zinc/80/87/41/1296808741.db2.gz OEMUIYOTWVRJOE-KURKYZTESA-N 2 2 338.455 2.944 20 30 EFEDLP N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570945 1313314958 /nfs/dbraw/zinc/31/49/58/1313314958.db2.gz QJMDCKLLFBRFMN-OAHLLOKOSA-N 2 2 340.240 2.974 20 30 EFEDLP N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570945 1313314962 /nfs/dbraw/zinc/31/49/62/1313314962.db2.gz QJMDCKLLFBRFMN-OAHLLOKOSA-N 2 2 340.240 2.974 20 30 EFEDLP N#CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943290 1313315512 /nfs/dbraw/zinc/31/55/12/1313315512.db2.gz REQFNAUGWNUNTJ-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943290 1313315516 /nfs/dbraw/zinc/31/55/16/1313315516.db2.gz REQFNAUGWNUNTJ-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943290 1313315519 /nfs/dbraw/zinc/31/55/19/1313315519.db2.gz REQFNAUGWNUNTJ-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943290 1313315523 /nfs/dbraw/zinc/31/55/23/1313315523.db2.gz REQFNAUGWNUNTJ-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP CN(C)/C=[NH+]/c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1C#N ZINC001205574944 1313315663 /nfs/dbraw/zinc/31/56/63/1313315663.db2.gz PAESRMTWCJJNKK-HZHRSRAPSA-N 2 2 333.439 2.856 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCCC#N)C3)cc1C#N ZINC001277948846 1313335917 /nfs/dbraw/zinc/33/59/17/1313335917.db2.gz NWXSEPUWBNFEBM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCCC#N)C3)cc1C#N ZINC001277948846 1313335920 /nfs/dbraw/zinc/33/59/20/1313335920.db2.gz NWXSEPUWBNFEBM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCCC#N)C3)cc1C#N ZINC001277948846 1313335924 /nfs/dbraw/zinc/33/59/24/1313335924.db2.gz NWXSEPUWBNFEBM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCCC#N)C3)cc1C#N ZINC001277948846 1313335928 /nfs/dbraw/zinc/33/59/28/1313335928.db2.gz NWXSEPUWBNFEBM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235530678 1313345543 /nfs/dbraw/zinc/34/55/43/1313345543.db2.gz WHDKDFGARSLMCV-FQEVSTJZSA-N 2 2 327.472 2.828 20 30 EFEDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235530678 1313345546 /nfs/dbraw/zinc/34/55/46/1313345546.db2.gz WHDKDFGARSLMCV-FQEVSTJZSA-N 2 2 327.472 2.828 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325041 1313436364 /nfs/dbraw/zinc/43/63/64/1313436364.db2.gz CPABDEYFRBPLND-CGTJXYLNSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001049909775 1313470918 /nfs/dbraw/zinc/47/09/18/1313470918.db2.gz CIDRYPIUYMUVBE-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049909775 1313470921 /nfs/dbraw/zinc/47/09/21/1313470921.db2.gz CIDRYPIUYMUVBE-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049909775 1313470924 /nfs/dbraw/zinc/47/09/24/1313470924.db2.gz CIDRYPIUYMUVBE-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049909775 1313470927 /nfs/dbraw/zinc/47/09/27/1313470927.db2.gz CIDRYPIUYMUVBE-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192349 1298280934 /nfs/dbraw/zinc/28/09/34/1298280934.db2.gz XTVLAXYLCXSFSM-HZPDHXFCSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192349 1298280941 /nfs/dbraw/zinc/28/09/41/1298280941.db2.gz XTVLAXYLCXSFSM-HZPDHXFCSA-N 2 2 338.455 2.923 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CO1 ZINC001236582965 1313493947 /nfs/dbraw/zinc/49/39/47/1313493947.db2.gz SINAYMTUEBMSEH-FUHWJXTLSA-N 2 2 329.444 2.516 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CO1 ZINC001236582965 1313493948 /nfs/dbraw/zinc/49/39/48/1313493948.db2.gz SINAYMTUEBMSEH-FUHWJXTLSA-N 2 2 329.444 2.516 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259108 1298438818 /nfs/dbraw/zinc/43/88/18/1298438818.db2.gz GBVYQYYNVPEIJP-IRXDYDNUSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259108 1298438825 /nfs/dbraw/zinc/43/88/25/1298438825.db2.gz GBVYQYYNVPEIJP-IRXDYDNUSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260409 1298440638 /nfs/dbraw/zinc/44/06/38/1298440638.db2.gz ILJVBNWHVUROMP-DLBZAZTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260409 1298440643 /nfs/dbraw/zinc/44/06/43/1298440643.db2.gz ILJVBNWHVUROMP-DLBZAZTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277043 1298474046 /nfs/dbraw/zinc/47/40/46/1298474046.db2.gz XDMJAAXIDUBHLN-MSOLQXFVSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277043 1298474056 /nfs/dbraw/zinc/47/40/56/1298474056.db2.gz XDMJAAXIDUBHLN-MSOLQXFVSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000961375613 1298644000 /nfs/dbraw/zinc/64/40/00/1298644000.db2.gz PCRMWETVHXHAQC-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000961375613 1298644007 /nfs/dbraw/zinc/64/40/07/1298644007.db2.gz PCRMWETVHXHAQC-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000961375613 1298644017 /nfs/dbraw/zinc/64/40/17/1298644017.db2.gz PCRMWETVHXHAQC-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000961375613 1298644025 /nfs/dbraw/zinc/64/40/25/1298644025.db2.gz PCRMWETVHXHAQC-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961418123 1298723091 /nfs/dbraw/zinc/72/30/91/1298723091.db2.gz YAYAAAYQTXGDSP-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961418123 1298723100 /nfs/dbraw/zinc/72/31/00/1298723100.db2.gz YAYAAAYQTXGDSP-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)c(Br)c3)C[C@@H]2C1 ZINC001236856437 1313542765 /nfs/dbraw/zinc/54/27/65/1313542765.db2.gz LCMIPPVXXYETHA-CABCVRRESA-N 2 2 334.261 2.704 20 30 EFEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)c(Br)c3)C[C@@H]2C1 ZINC001236856437 1313542767 /nfs/dbraw/zinc/54/27/67/1313542767.db2.gz LCMIPPVXXYETHA-CABCVRRESA-N 2 2 334.261 2.704 20 30 EFEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)c(Br)c3)C[C@@H]2C1 ZINC001236856437 1313542771 /nfs/dbraw/zinc/54/27/71/1313542771.db2.gz LCMIPPVXXYETHA-CABCVRRESA-N 2 2 334.261 2.704 20 30 EFEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)c(Br)c3)C[C@@H]2C1 ZINC001236856437 1313542774 /nfs/dbraw/zinc/54/27/74/1313542774.db2.gz LCMIPPVXXYETHA-CABCVRRESA-N 2 2 334.261 2.704 20 30 EFEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017838934 1313549584 /nfs/dbraw/zinc/54/95/84/1313549584.db2.gz FSBLUSUKRJIQCC-CEXWTWQISA-N 2 2 331.504 2.645 20 30 EFEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017838934 1313549588 /nfs/dbraw/zinc/54/95/88/1313549588.db2.gz FSBLUSUKRJIQCC-CEXWTWQISA-N 2 2 331.504 2.645 20 30 EFEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838934 1313549591 /nfs/dbraw/zinc/54/95/91/1313549591.db2.gz FSBLUSUKRJIQCC-CEXWTWQISA-N 2 2 331.504 2.645 20 30 EFEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001017838934 1313549594 /nfs/dbraw/zinc/54/95/94/1313549594.db2.gz FSBLUSUKRJIQCC-CEXWTWQISA-N 2 2 331.504 2.645 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206969568 1313575414 /nfs/dbraw/zinc/57/54/14/1313575414.db2.gz AZNQJDRNHYPQDT-KRWDZBQOSA-N 2 2 332.492 2.846 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206969569 1313575472 /nfs/dbraw/zinc/57/54/72/1313575472.db2.gz AZNQJDRNHYPQDT-QGZVFWFLSA-N 2 2 332.492 2.846 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973529 1313576602 /nfs/dbraw/zinc/57/66/02/1313576602.db2.gz MKRJSLOSKQSCSZ-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973529 1313576605 /nfs/dbraw/zinc/57/66/05/1313576605.db2.gz MKRJSLOSKQSCSZ-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP N#Cc1cccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1 ZINC001278127152 1313684251 /nfs/dbraw/zinc/68/42/51/1313684251.db2.gz LHMVEFGHNCNKEZ-OYRHEFFESA-N 2 2 349.482 2.536 20 30 EFEDLP N#Cc1cccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1 ZINC001278127152 1313684254 /nfs/dbraw/zinc/68/42/54/1313684254.db2.gz LHMVEFGHNCNKEZ-OYRHEFFESA-N 2 2 349.482 2.536 20 30 EFEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237750321 1313701329 /nfs/dbraw/zinc/70/13/29/1313701329.db2.gz GSKKGBQRTAIGRT-UHFFFAOYSA-N 2 2 332.835 2.842 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325894 1300604964 /nfs/dbraw/zinc/60/49/64/1300604964.db2.gz SVXBYESHFKJLDB-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325894 1300604975 /nfs/dbraw/zinc/60/49/75/1300604975.db2.gz SVXBYESHFKJLDB-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C#CCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245576604 1300662233 /nfs/dbraw/zinc/66/22/33/1300662233.db2.gz FDSQAKIGHSDCQY-WOJBJXKFSA-N 2 2 347.547 2.976 20 30 EFEDLP C#CCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245576604 1300662238 /nfs/dbraw/zinc/66/22/38/1300662238.db2.gz FDSQAKIGHSDCQY-WOJBJXKFSA-N 2 2 347.547 2.976 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963382493 1300736762 /nfs/dbraw/zinc/73/67/62/1300736762.db2.gz CAFXIXVBGNXNAC-IRXDYDNUSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963382493 1300736766 /nfs/dbraw/zinc/73/67/66/1300736766.db2.gz CAFXIXVBGNXNAC-IRXDYDNUSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963382490 1300737164 /nfs/dbraw/zinc/73/71/64/1300737164.db2.gz CAFXIXVBGNXNAC-IAGOWNOFSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963382490 1300737175 /nfs/dbraw/zinc/73/71/75/1300737175.db2.gz CAFXIXVBGNXNAC-IAGOWNOFSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963382485 1300737881 /nfs/dbraw/zinc/73/78/81/1300737881.db2.gz CAFXIXVBGNXNAC-DLBZAZTESA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963382485 1300737887 /nfs/dbraw/zinc/73/78/87/1300737887.db2.gz CAFXIXVBGNXNAC-DLBZAZTESA-N 2 2 344.503 2.966 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386341 1300746672 /nfs/dbraw/zinc/74/66/72/1300746672.db2.gz OMKJVCNWZNNUOE-CVEARBPZSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386341 1300746677 /nfs/dbraw/zinc/74/66/77/1300746677.db2.gz OMKJVCNWZNNUOE-CVEARBPZSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387960 1300749651 /nfs/dbraw/zinc/74/96/51/1300749651.db2.gz XILSAKVILXTDRN-DLBZAZTESA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387960 1300749658 /nfs/dbraw/zinc/74/96/58/1300749658.db2.gz XILSAKVILXTDRN-DLBZAZTESA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437606 1300856754 /nfs/dbraw/zinc/85/67/54/1300856754.db2.gz BIUOGGJLBKZBEV-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437606 1300856756 /nfs/dbraw/zinc/85/67/56/1300856756.db2.gz BIUOGGJLBKZBEV-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001114556632 1300862768 /nfs/dbraw/zinc/86/27/68/1300862768.db2.gz ZRBSZXDXXGDYEV-MNZLEMJZSA-N 2 2 340.471 2.965 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001114556632 1300862780 /nfs/dbraw/zinc/86/27/80/1300862780.db2.gz ZRBSZXDXXGDYEV-MNZLEMJZSA-N 2 2 340.471 2.965 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659490 1313743748 /nfs/dbraw/zinc/74/37/48/1313743748.db2.gz ZRBMZPVJEQVSKW-KURKYZTESA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659490 1313743750 /nfs/dbraw/zinc/74/37/50/1313743750.db2.gz ZRBMZPVJEQVSKW-KURKYZTESA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702927 1313753978 /nfs/dbraw/zinc/75/39/78/1313753978.db2.gz BHEFBJBUFDCFRY-HBUWYVDXSA-N 2 2 326.444 2.968 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702927 1313753981 /nfs/dbraw/zinc/75/39/81/1313753981.db2.gz BHEFBJBUFDCFRY-HBUWYVDXSA-N 2 2 326.444 2.968 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734215 1313761089 /nfs/dbraw/zinc/76/10/89/1313761089.db2.gz PWAXNJQMYWAESS-ZHALLVOQSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734215 1313761093 /nfs/dbraw/zinc/76/10/93/1313761093.db2.gz PWAXNJQMYWAESS-ZHALLVOQSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761330 1313767294 /nfs/dbraw/zinc/76/72/94/1313767294.db2.gz IVYGFLYVZFEJJH-ZIFCJYIRSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761330 1313767298 /nfs/dbraw/zinc/76/72/98/1313767298.db2.gz IVYGFLYVZFEJJH-ZIFCJYIRSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761328 1313767461 /nfs/dbraw/zinc/76/74/61/1313767461.db2.gz IVYGFLYVZFEJJH-ZHALLVOQSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761328 1313767464 /nfs/dbraw/zinc/76/74/64/1313767464.db2.gz IVYGFLYVZFEJJH-ZHALLVOQSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761349 1313767864 /nfs/dbraw/zinc/76/78/64/1313767864.db2.gz JEVRXUXABLHKOX-FGTMMUONSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761349 1313767867 /nfs/dbraw/zinc/76/78/67/1313767867.db2.gz JEVRXUXABLHKOX-FGTMMUONSA-N 2 2 346.519 2.852 20 30 EFEDLP C=CC[NH2+]C1CCC(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000964021947 1301610350 /nfs/dbraw/zinc/61/03/50/1301610350.db2.gz OMADYYXNTCZWRY-UHFFFAOYSA-N 2 2 340.471 2.730 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cncc(C3CC3)c2)CC1 ZINC001238194600 1313782676 /nfs/dbraw/zinc/78/26/76/1313782676.db2.gz NRXYFKDBURGSSK-UHFFFAOYSA-N 2 2 340.515 2.751 20 30 EFEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000965010161 1302711615 /nfs/dbraw/zinc/71/16/15/1302711615.db2.gz ASSPOFFRBRLZSD-VYWJUGDHSA-N 2 2 348.878 2.599 20 30 EFEDLP C=CCOCc1ncn2c1C[N@H+](CC1(C[NH+](C)C)CCCC1)CCC2 ZINC001208186434 1313864634 /nfs/dbraw/zinc/86/46/34/1313864634.db2.gz VJEVAIPNMMPVDU-UHFFFAOYSA-N 2 2 346.519 2.913 20 30 EFEDLP C=CCOCc1ncn2c1C[N@@H+](CC1(C[NH+](C)C)CCCC1)CCC2 ZINC001208186434 1313864637 /nfs/dbraw/zinc/86/46/37/1313864637.db2.gz VJEVAIPNMMPVDU-UHFFFAOYSA-N 2 2 346.519 2.913 20 30 EFEDLP C[NH+](C)CC1(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCCC1 ZINC001208191210 1313866129 /nfs/dbraw/zinc/86/61/29/1313866129.db2.gz LMXXZMLQZXISFM-UHFFFAOYSA-N 2 2 326.488 2.802 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1CC ZINC001037846901 1303558382 /nfs/dbraw/zinc/55/83/82/1303558382.db2.gz WLVOGKQYGDIXEM-WMZOPIPTSA-N 2 2 344.503 2.555 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411492 1313923357 /nfs/dbraw/zinc/92/33/57/1313923357.db2.gz VSQMNDQBDABOFU-RDJZCZTQSA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103366 1303643639 /nfs/dbraw/zinc/64/36/39/1303643639.db2.gz LEZBTUKVDCQQHW-YOEHRIQHSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103366 1303643647 /nfs/dbraw/zinc/64/36/47/1303643647.db2.gz LEZBTUKVDCQQHW-YOEHRIQHSA-N 2 2 326.444 2.659 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439340 1313928582 /nfs/dbraw/zinc/92/85/82/1313928582.db2.gz QSAMIPBPYLEOKN-ZWKOTPCHSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447197 1313930636 /nfs/dbraw/zinc/93/06/36/1313930636.db2.gz KIFQIOHROFOCGK-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001037856004 1303726297 /nfs/dbraw/zinc/72/62/97/1303726297.db2.gz QKQDODCAFBTORZ-WBVHZDCISA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239780 1303774664 /nfs/dbraw/zinc/77/46/64/1303774664.db2.gz XCDUINAEAIPEHG-SJLPKXTDSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239780 1303774669 /nfs/dbraw/zinc/77/46/69/1303774669.db2.gz XCDUINAEAIPEHG-SJLPKXTDSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001037881490 1304146485 /nfs/dbraw/zinc/14/64/85/1304146485.db2.gz CKRAFPINLUURHG-HOCLYGCPSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114898955 1304192827 /nfs/dbraw/zinc/19/28/27/1304192827.db2.gz JQPUEOKMTMZZDF-IMBTUZDBSA-N 2 2 330.476 2.627 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114898955 1304192829 /nfs/dbraw/zinc/19/28/29/1304192829.db2.gz JQPUEOKMTMZZDF-IMBTUZDBSA-N 2 2 330.476 2.627 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966909044 1304425269 /nfs/dbraw/zinc/42/52/69/1304425269.db2.gz YPXPNWNGXXXOLG-NVXWUHKLSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966909044 1304425273 /nfs/dbraw/zinc/42/52/73/1304425273.db2.gz YPXPNWNGXXXOLG-NVXWUHKLSA-N 2 2 332.492 2.719 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678907 1313992630 /nfs/dbraw/zinc/99/26/30/1313992630.db2.gz KLTJHLNCEGJFOL-KRWDZBQOSA-N 2 2 332.492 2.680 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678908 1313993061 /nfs/dbraw/zinc/99/30/61/1313993061.db2.gz KLTJHLNCEGJFOL-QGZVFWFLSA-N 2 2 332.492 2.680 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CC ZINC001037903745 1304577086 /nfs/dbraw/zinc/57/70/86/1304577086.db2.gz YAJSPLFRMZZHEN-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276576659 1314000836 /nfs/dbraw/zinc/00/08/36/1314000836.db2.gz LAAYOBRLHVAXPS-FQEVSTJZSA-N 2 2 328.456 2.625 20 30 EFEDLP C#CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276576659 1314000838 /nfs/dbraw/zinc/00/08/38/1314000838.db2.gz LAAYOBRLHVAXPS-FQEVSTJZSA-N 2 2 328.456 2.625 20 30 EFEDLP C#CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276576659 1314000840 /nfs/dbraw/zinc/00/08/40/1314000840.db2.gz LAAYOBRLHVAXPS-FQEVSTJZSA-N 2 2 328.456 2.625 20 30 EFEDLP C#CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001276576659 1314000843 /nfs/dbraw/zinc/00/08/43/1314000843.db2.gz LAAYOBRLHVAXPS-FQEVSTJZSA-N 2 2 328.456 2.625 20 30 EFEDLP N#Cc1cccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001208850071 1314029028 /nfs/dbraw/zinc/02/90/28/1314029028.db2.gz WAHMZCLCQBVQOW-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1cccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001208850071 1314029031 /nfs/dbraw/zinc/02/90/31/1314029031.db2.gz WAHMZCLCQBVQOW-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1cccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001208850071 1314029033 /nfs/dbraw/zinc/02/90/33/1314029033.db2.gz WAHMZCLCQBVQOW-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1cccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001208850071 1314029036 /nfs/dbraw/zinc/02/90/36/1314029036.db2.gz WAHMZCLCQBVQOW-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208859820 1314031808 /nfs/dbraw/zinc/03/18/08/1314031808.db2.gz USWMGQZNBHAWNA-NHCUHLMSSA-N 2 2 346.478 2.950 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496453 1306399476 /nfs/dbraw/zinc/39/94/76/1306399476.db2.gz BULVGKYTCZZYBG-RHSMWYFYSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496453 1306399480 /nfs/dbraw/zinc/39/94/80/1306399480.db2.gz BULVGKYTCZZYBG-RHSMWYFYSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001044678514 1306710337 /nfs/dbraw/zinc/71/03/37/1306710337.db2.gz WJKXFXMDOSHAAI-UONOGXRCSA-N 2 2 332.835 2.670 20 30 EFEDLP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877317 1306749193 /nfs/dbraw/zinc/74/91/93/1306749193.db2.gz UARUYQGTROXCCA-KRWDZBQOSA-N 2 2 347.528 2.807 20 30 EFEDLP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877317 1306749200 /nfs/dbraw/zinc/74/92/00/1306749200.db2.gz UARUYQGTROXCCA-KRWDZBQOSA-N 2 2 347.528 2.807 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(CC)CC ZINC000968893717 1306768692 /nfs/dbraw/zinc/76/86/92/1306768692.db2.gz PPQJCPBDWJTENX-PMACEKPBSA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(CC)CC ZINC000968893717 1306768694 /nfs/dbraw/zinc/76/86/94/1306768694.db2.gz PPQJCPBDWJTENX-PMACEKPBSA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(CC)CC ZINC000968893717 1306768698 /nfs/dbraw/zinc/76/86/98/1306768698.db2.gz PPQJCPBDWJTENX-PMACEKPBSA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(CC)CC ZINC000968893717 1306768702 /nfs/dbraw/zinc/76/87/02/1306768702.db2.gz PPQJCPBDWJTENX-PMACEKPBSA-N 2 2 347.547 2.881 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901854 1306774206 /nfs/dbraw/zinc/77/42/06/1306774206.db2.gz JMLMHQBQODROMF-GVDBMIGSSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901854 1306774211 /nfs/dbraw/zinc/77/42/11/1306774211.db2.gz JMLMHQBQODROMF-GVDBMIGSSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901854 1306774214 /nfs/dbraw/zinc/77/42/14/1306774214.db2.gz JMLMHQBQODROMF-GVDBMIGSSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901854 1306774219 /nfs/dbraw/zinc/77/42/19/1306774219.db2.gz JMLMHQBQODROMF-GVDBMIGSSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC001044773524 1306791679 /nfs/dbraw/zinc/79/16/79/1306791679.db2.gz BEKADHVADPNRRR-IRXDYDNUSA-N 2 2 340.471 2.730 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC001044773517 1306791888 /nfs/dbraw/zinc/79/18/88/1306791888.db2.gz BEKADHVADPNRRR-DLBZAZTESA-N 2 2 340.471 2.730 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968917299 1306793052 /nfs/dbraw/zinc/79/30/52/1306793052.db2.gz SIVWNQITZRLMIK-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968917299 1306793056 /nfs/dbraw/zinc/79/30/56/1306793056.db2.gz SIVWNQITZRLMIK-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926309 1306805749 /nfs/dbraw/zinc/80/57/49/1306805749.db2.gz ZXRHFWXTWAFKPO-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926309 1306805752 /nfs/dbraw/zinc/80/57/52/1306805752.db2.gz ZXRHFWXTWAFKPO-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926309 1306805755 /nfs/dbraw/zinc/80/57/55/1306805755.db2.gz ZXRHFWXTWAFKPO-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926309 1306805759 /nfs/dbraw/zinc/80/57/59/1306805759.db2.gz ZXRHFWXTWAFKPO-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933754 1306811625 /nfs/dbraw/zinc/81/16/25/1306811625.db2.gz DLBPMKXRAUJGLE-MRXNPFEDSA-N 2 2 339.911 2.728 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933754 1306811628 /nfs/dbraw/zinc/81/16/28/1306811628.db2.gz DLBPMKXRAUJGLE-MRXNPFEDSA-N 2 2 339.911 2.728 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969023243 1306901152 /nfs/dbraw/zinc/90/11/52/1306901152.db2.gz OHNNMGOZPDHEMV-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969023243 1306901158 /nfs/dbraw/zinc/90/11/58/1306901158.db2.gz OHNNMGOZPDHEMV-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CCCCCC[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001209427306 1314161419 /nfs/dbraw/zinc/16/14/19/1314161419.db2.gz NOUNSYBPOVECKO-UHFFFAOYSA-N 2 2 331.508 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001209427306 1314161423 /nfs/dbraw/zinc/16/14/23/1314161423.db2.gz NOUNSYBPOVECKO-UHFFFAOYSA-N 2 2 331.508 2.869 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CCC[NH+]1CCCCC1)CCO2 ZINC001209449609 1314164684 /nfs/dbraw/zinc/16/46/84/1314164684.db2.gz BAOFQSLUVKMVMF-WOJBJXKFSA-N 2 2 336.520 2.936 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCC[NH+]1CCCCC1)CCO2 ZINC001209449609 1314164687 /nfs/dbraw/zinc/16/46/87/1314164687.db2.gz BAOFQSLUVKMVMF-WOJBJXKFSA-N 2 2 336.520 2.936 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007519258 1307487258 /nfs/dbraw/zinc/48/72/58/1307487258.db2.gz MUUZNIZMMGJHCH-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007519258 1307487261 /nfs/dbraw/zinc/48/72/61/1307487261.db2.gz MUUZNIZMMGJHCH-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007519258 1307487262 /nfs/dbraw/zinc/48/72/62/1307487262.db2.gz MUUZNIZMMGJHCH-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007519258 1307487265 /nfs/dbraw/zinc/48/72/65/1307487265.db2.gz MUUZNIZMMGJHCH-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935471 1307933969 /nfs/dbraw/zinc/93/39/69/1307933969.db2.gz NFZULRDSHVAIBJ-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935471 1307933971 /nfs/dbraw/zinc/93/39/71/1307933971.db2.gz NFZULRDSHVAIBJ-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944647 1307962052 /nfs/dbraw/zinc/96/20/52/1307962052.db2.gz NIKMWZDCJOGJSA-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944647 1307962054 /nfs/dbraw/zinc/96/20/54/1307962054.db2.gz NIKMWZDCJOGJSA-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944647 1307962057 /nfs/dbraw/zinc/96/20/57/1307962057.db2.gz NIKMWZDCJOGJSA-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944647 1307962059 /nfs/dbraw/zinc/96/20/59/1307962059.db2.gz NIKMWZDCJOGJSA-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944914 1307963355 /nfs/dbraw/zinc/96/33/55/1307963355.db2.gz QOGDVXQSXXBTPU-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944914 1307963358 /nfs/dbraw/zinc/96/33/58/1307963358.db2.gz QOGDVXQSXXBTPU-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944914 1307963361 /nfs/dbraw/zinc/96/33/61/1307963361.db2.gz QOGDVXQSXXBTPU-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944914 1307963365 /nfs/dbraw/zinc/96/33/65/1307963365.db2.gz QOGDVXQSXXBTPU-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045965139 1308018462 /nfs/dbraw/zinc/01/84/62/1308018462.db2.gz DVNJIGWQXPOMFU-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045965139 1308018466 /nfs/dbraw/zinc/01/84/66/1308018466.db2.gz DVNJIGWQXPOMFU-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433422 1308664773 /nfs/dbraw/zinc/66/47/73/1308664773.db2.gz WKKVAIISQCOJMZ-KRWDZBQOSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433422 1308664774 /nfs/dbraw/zinc/66/47/74/1308664774.db2.gz WKKVAIISQCOJMZ-KRWDZBQOSA-N 2 2 332.835 2.589 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051895 1314276309 /nfs/dbraw/zinc/27/63/09/1314276309.db2.gz KUDTTXUPNVCTRQ-SJORKVTESA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051895 1314276312 /nfs/dbraw/zinc/27/63/12/1314276312.db2.gz KUDTTXUPNVCTRQ-SJORKVTESA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051893 1314276631 /nfs/dbraw/zinc/27/66/31/1314276631.db2.gz KUDTTXUPNVCTRQ-IAGOWNOFSA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051893 1314276634 /nfs/dbraw/zinc/27/66/34/1314276634.db2.gz KUDTTXUPNVCTRQ-IAGOWNOFSA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001047240438 1310388683 /nfs/dbraw/zinc/38/86/83/1310388683.db2.gz GQOWBWYCRDZGIT-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001047240439 1310389251 /nfs/dbraw/zinc/38/92/51/1310389251.db2.gz GQOWBWYCRDZGIT-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001047245609 1310404178 /nfs/dbraw/zinc/40/41/78/1310404178.db2.gz ZVORPPFCMOBBAD-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001047245609 1310404184 /nfs/dbraw/zinc/40/41/84/1310404184.db2.gz ZVORPPFCMOBBAD-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001047245608 1310404548 /nfs/dbraw/zinc/40/45/48/1310404548.db2.gz ZVORPPFCMOBBAD-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001047245608 1310404555 /nfs/dbraw/zinc/40/45/55/1310404555.db2.gz ZVORPPFCMOBBAD-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001047265219 1310457578 /nfs/dbraw/zinc/45/75/78/1310457578.db2.gz GBQBINAPPILXOR-IBGZPJMESA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001047265473 1310458091 /nfs/dbraw/zinc/45/80/91/1310458091.db2.gz SCOYWDBOWMPBBA-SFHVURJKSA-N 2 2 344.503 2.787 20 30 EFEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203193391 1311498098 /nfs/dbraw/zinc/49/80/98/1311498098.db2.gz VJSGBUUNFWVYNN-SJORKVTESA-N 2 2 325.456 2.661 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225310821 1311505974 /nfs/dbraw/zinc/50/59/74/1311505974.db2.gz YBARAARUMPNPGJ-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001160479106 1311719582 /nfs/dbraw/zinc/71/95/82/1311719582.db2.gz OGLWNSNKAJHINC-UHFFFAOYSA-N 2 2 343.471 2.737 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001160479106 1311719584 /nfs/dbraw/zinc/71/95/84/1311719584.db2.gz OGLWNSNKAJHINC-UHFFFAOYSA-N 2 2 343.471 2.737 20 30 EFEDLP C=CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491324 1311721330 /nfs/dbraw/zinc/72/13/30/1311721330.db2.gz BXQXADHBOKEHAD-UHFFFAOYSA-N 2 2 330.476 2.641 20 30 EFEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491324 1311721333 /nfs/dbraw/zinc/72/13/33/1311721333.db2.gz BXQXADHBOKEHAD-UHFFFAOYSA-N 2 2 330.476 2.641 20 30 EFEDLP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001160595454 1311743209 /nfs/dbraw/zinc/74/32/09/1311743209.db2.gz BYSUIGIVJCFNLH-DYESRHJHSA-N 2 2 341.499 2.532 20 30 EFEDLP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160799000 1311783683 /nfs/dbraw/zinc/78/36/83/1311783683.db2.gz VLILKEZNPDYRSB-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160799000 1311783686 /nfs/dbraw/zinc/78/36/86/1311783686.db2.gz VLILKEZNPDYRSB-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464154 1311809194 /nfs/dbraw/zinc/80/91/94/1311809194.db2.gz DWJIKKSFAHEWEA-AWEZNQCLSA-N 2 2 338.883 2.730 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001228054060 1311895177 /nfs/dbraw/zinc/89/51/77/1311895177.db2.gz NJHXDDMXANNQJT-QGZVFWFLSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001228053999 1311895185 /nfs/dbraw/zinc/89/51/85/1311895185.db2.gz MUINFTPCKGOWEV-KRWDZBQOSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161472776 1311896817 /nfs/dbraw/zinc/89/68/17/1311896817.db2.gz YVFCRWVUKZJZRA-JKSUJKDBSA-N 2 2 343.462 2.782 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562262 1311907923 /nfs/dbraw/zinc/90/79/23/1311907923.db2.gz MLBBSHXCPMBTEC-YVSFHVDLSA-N 2 2 342.487 2.765 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562262 1311907924 /nfs/dbraw/zinc/90/79/24/1311907924.db2.gz MLBBSHXCPMBTEC-YVSFHVDLSA-N 2 2 342.487 2.765 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228528732 1311961224 /nfs/dbraw/zinc/96/12/24/1311961224.db2.gz JQKOOEFVSRXNHS-BZUAXINKSA-N 2 2 330.476 2.813 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805288 1311976836 /nfs/dbraw/zinc/97/68/36/1311976836.db2.gz CQVBQYHIPRJQCV-KRWDZBQOSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805288 1311976838 /nfs/dbraw/zinc/97/68/38/1311976838.db2.gz CQVBQYHIPRJQCV-KRWDZBQOSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805289 1311977011 /nfs/dbraw/zinc/97/70/11/1311977011.db2.gz CQVBQYHIPRJQCV-QGZVFWFLSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805289 1311977015 /nfs/dbraw/zinc/97/70/15/1311977015.db2.gz CQVBQYHIPRJQCV-QGZVFWFLSA-N 2 2 344.503 2.846 20 30 EFEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001162557105 1312123629 /nfs/dbraw/zinc/12/36/29/1312123629.db2.gz AITJPDGXXGVDFQ-ZZLKNEBNSA-N 2 2 336.505 2.681 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230381649 1312232521 /nfs/dbraw/zinc/23/25/21/1312232521.db2.gz CDIRTARVLSGRCE-VQIMIIECSA-N 2 2 344.503 2.620 20 30 EFEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)c(Cl)c(C)c1C#N ZINC001163123014 1312245590 /nfs/dbraw/zinc/24/55/90/1312245590.db2.gz VEVZUFQFRAZOBG-UHFFFAOYSA-N 2 2 343.262 2.847 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230578964 1312271818 /nfs/dbraw/zinc/27/18/18/1312271818.db2.gz BQGBKTLIUWUOQD-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230578964 1312271821 /nfs/dbraw/zinc/27/18/21/1312271821.db2.gz BQGBKTLIUWUOQD-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230578963 1312272049 /nfs/dbraw/zinc/27/20/49/1312272049.db2.gz BQGBKTLIUWUOQD-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230578963 1312272052 /nfs/dbraw/zinc/27/20/52/1312272052.db2.gz BQGBKTLIUWUOQD-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618381 1312286189 /nfs/dbraw/zinc/28/61/89/1312286189.db2.gz MBOPCPOSCKOYJA-LJQANCHMSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618381 1312286192 /nfs/dbraw/zinc/28/61/92/1312286192.db2.gz MBOPCPOSCKOYJA-LJQANCHMSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628471 1312289644 /nfs/dbraw/zinc/28/96/44/1312289644.db2.gz IFIMZEJHJMYZTB-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628471 1312289647 /nfs/dbraw/zinc/28/96/47/1312289647.db2.gz IFIMZEJHJMYZTB-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230627701 1312289757 /nfs/dbraw/zinc/28/97/57/1312289757.db2.gz DYRULFXKGRTAPD-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230627701 1312289759 /nfs/dbraw/zinc/28/97/59/1312289759.db2.gz DYRULFXKGRTAPD-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccnc1 ZINC001230783342 1312341628 /nfs/dbraw/zinc/34/16/28/1312341628.db2.gz FTSBSTRHZOCXTA-UHFFFAOYSA-N 2 2 349.438 2.766 20 30 EFEDLP C=CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccnc1 ZINC001230783342 1312341631 /nfs/dbraw/zinc/34/16/31/1312341631.db2.gz FTSBSTRHZOCXTA-UHFFFAOYSA-N 2 2 349.438 2.766 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711794 1312668952 /nfs/dbraw/zinc/66/89/52/1312668952.db2.gz WSXNKIJAARJQOB-MRXNPFEDSA-N 2 2 345.487 2.864 20 30 EFEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718012 1312669676 /nfs/dbraw/zinc/66/96/76/1312669676.db2.gz DHLGMKIPSZMJJU-UHFFFAOYSA-N 2 2 338.883 2.555 20 30 EFEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987469 1314559972 /nfs/dbraw/zinc/55/99/72/1314559972.db2.gz SCQGGDVIBCQQLM-QZTJIDSGSA-N 3 2 325.541 2.562 20 30 EFEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)CCCCCCCC ZINC001246005579 1314565236 /nfs/dbraw/zinc/56/52/36/1314565236.db2.gz ZGNXDNMNVSBYEZ-MSOLQXFVSA-N 2 2 342.524 2.914 20 30 EFEDLP C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246017859 1314566769 /nfs/dbraw/zinc/56/67/69/1314566769.db2.gz DAWOVVGOSFMZGI-RBUKOAKNSA-N 2 2 348.487 2.950 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246017196 1314566995 /nfs/dbraw/zinc/56/69/95/1314566995.db2.gz WVBHMADJPBTQNR-RBUKOAKNSA-N 2 2 327.557 2.809 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246066052 1314578333 /nfs/dbraw/zinc/57/83/33/1314578333.db2.gz QRZJCUVBYLQAHF-OALUTQOASA-N 2 2 326.525 2.942 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246066052 1314578335 /nfs/dbraw/zinc/57/83/35/1314578335.db2.gz QRZJCUVBYLQAHF-OALUTQOASA-N 2 2 326.525 2.942 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246199861 1314596385 /nfs/dbraw/zinc/59/63/85/1314596385.db2.gz BORURBJZRQDNAN-YJBOKZPZSA-N 2 2 345.487 2.918 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206546 1314597460 /nfs/dbraw/zinc/59/74/60/1314597460.db2.gz GZCUZLPSNQGFBK-PBHICJAKSA-N 2 2 331.460 2.528 20 30 EFEDLP CCCCCCCCCC[NH2+][C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246210727 1314598096 /nfs/dbraw/zinc/59/80/96/1314598096.db2.gz GMXBICZHESFYCG-SJORKVTESA-N 2 2 341.565 2.980 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029341 1314601718 /nfs/dbraw/zinc/60/17/18/1314601718.db2.gz QHWJXQLDPZVLOB-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029341 1314601726 /nfs/dbraw/zinc/60/17/26/1314601726.db2.gz QHWJXQLDPZVLOB-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029341 1314601731 /nfs/dbraw/zinc/60/17/31/1314601731.db2.gz QHWJXQLDPZVLOB-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029341 1314601735 /nfs/dbraw/zinc/60/17/35/1314601735.db2.gz QHWJXQLDPZVLOB-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050586 1314637409 /nfs/dbraw/zinc/63/74/09/1314637409.db2.gz KIRUIFZFBUHFBE-ROUUACIJSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050586 1314637413 /nfs/dbraw/zinc/63/74/13/1314637413.db2.gz KIRUIFZFBUHFBE-ROUUACIJSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050506 1314637582 /nfs/dbraw/zinc/63/75/82/1314637582.db2.gz JWLWKYUFFRCHFZ-ZWKOTPCHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050506 1314637586 /nfs/dbraw/zinc/63/75/86/1314637586.db2.gz JWLWKYUFFRCHFZ-ZWKOTPCHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050587 1314637774 /nfs/dbraw/zinc/63/77/74/1314637774.db2.gz KIRUIFZFBUHFBE-ZWKOTPCHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050587 1314637777 /nfs/dbraw/zinc/63/77/77/1314637777.db2.gz KIRUIFZFBUHFBE-ZWKOTPCHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052529 1314641737 /nfs/dbraw/zinc/64/17/37/1314641737.db2.gz VORCXSTXTGOXOP-IRXDYDNUSA-N 2 2 344.503 2.824 20 30 EFEDLP 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ZINC001053106675 1314729986 /nfs/dbraw/zinc/72/99/86/1314729986.db2.gz VPZBYUYFZHJAID-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917407 1314757722 /nfs/dbraw/zinc/75/77/22/1314757722.db2.gz ZGCKWAHCMAEPEL-KURKYZTESA-N 2 2 332.492 2.873 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988373 1314766251 /nfs/dbraw/zinc/76/62/51/1314766251.db2.gz UAZJJVDSQHPWET-ZIFCJYIRSA-N 2 2 346.519 2.852 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132515 1314786243 /nfs/dbraw/zinc/78/62/43/1314786243.db2.gz JCWONJBRMZYTHY-BZUAXINKSA-N 2 2 326.444 2.739 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215254825 1314805467 /nfs/dbraw/zinc/80/54/67/1314805467.db2.gz KFKHGKHSERDYCY-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001247622631 1314809516 /nfs/dbraw/zinc/80/95/16/1314809516.db2.gz PEFDCIAYVFUOEG-INIZCTEOSA-N 2 2 328.416 2.535 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001216181594 1314923190 /nfs/dbraw/zinc/92/31/90/1314923190.db2.gz BNVBVAJVCNUSAR-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP N#Cc1ccc(-c2ccccc2NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001219271956 1315296136 /nfs/dbraw/zinc/29/61/36/1315296136.db2.gz YOOLAMYFJGISIX-UHFFFAOYSA-N 2 2 334.423 2.505 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164507 1315395961 /nfs/dbraw/zinc/39/59/61/1315395961.db2.gz KYTQAUCUNBTXMP-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164507 1315395966 /nfs/dbraw/zinc/39/59/66/1315395966.db2.gz KYTQAUCUNBTXMP-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001252138875 1315417898 /nfs/dbraw/zinc/41/78/98/1315417898.db2.gz FMDDZMVULVLALO-HKUYNNGSSA-N 2 2 326.525 2.941 20 30 EFEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001252138875 1315417903 /nfs/dbraw/zinc/41/79/03/1315417903.db2.gz FMDDZMVULVLALO-HKUYNNGSSA-N 2 2 326.525 2.941 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195627 1315438874 /nfs/dbraw/zinc/43/88/74/1315438874.db2.gz OKPUZFXBIUPPSO-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195627 1315438876 /nfs/dbraw/zinc/43/88/76/1315438876.db2.gz OKPUZFXBIUPPSO-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204825 1315452647 /nfs/dbraw/zinc/45/26/47/1315452647.db2.gz FAMDQOUUFBCUGD-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204825 1315452650 /nfs/dbraw/zinc/45/26/50/1315452650.db2.gz FAMDQOUUFBCUGD-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205443 1315454082 /nfs/dbraw/zinc/45/40/82/1315454082.db2.gz RIIJNGNQXGSKHS-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205443 1315454087 /nfs/dbraw/zinc/45/40/87/1315454087.db2.gz RIIJNGNQXGSKHS-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039146369 1315538999 /nfs/dbraw/zinc/53/89/99/1315538999.db2.gz NUMGPTMEBYKGSN-LJQANCHMSA-N 2 2 339.483 2.814 20 30 EFEDLP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039146369 1315539004 /nfs/dbraw/zinc/53/90/04/1315539004.db2.gz NUMGPTMEBYKGSN-LJQANCHMSA-N 2 2 339.483 2.814 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636483 1315567312 /nfs/dbraw/zinc/56/73/12/1315567312.db2.gz QWAKUHIQQYTDDH-CEXWTWQISA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636483 1315567314 /nfs/dbraw/zinc/56/73/14/1315567314.db2.gz QWAKUHIQQYTDDH-CEXWTWQISA-N 2 2 344.503 2.969 20 30 EFEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001253598193 1315617551 /nfs/dbraw/zinc/61/75/51/1315617551.db2.gz PVFHWCMQIBUUQJ-MRXNPFEDSA-N 2 2 328.378 2.806 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230622 1315653327 /nfs/dbraw/zinc/65/33/27/1315653327.db2.gz SAOPMHPFIOSABV-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230622 1315653330 /nfs/dbraw/zinc/65/33/30/1315653330.db2.gz SAOPMHPFIOSABV-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250285 1315681336 /nfs/dbraw/zinc/68/13/36/1315681336.db2.gz NKEDYVPNRQGSIX-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250285 1315681340 /nfs/dbraw/zinc/68/13/40/1315681340.db2.gz NKEDYVPNRQGSIX-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250288 1315681629 /nfs/dbraw/zinc/68/16/29/1315681629.db2.gz NKEDYVPNRQGSIX-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250288 1315681632 /nfs/dbraw/zinc/68/16/32/1315681632.db2.gz NKEDYVPNRQGSIX-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251154 1315682241 /nfs/dbraw/zinc/68/22/41/1315682241.db2.gz SZHTZLAQTLQDNN-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251154 1315682246 /nfs/dbraw/zinc/68/22/46/1315682246.db2.gz SZHTZLAQTLQDNN-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254837172 1315747650 /nfs/dbraw/zinc/74/76/50/1315747650.db2.gz SCRMKJZFMYHPRE-OAQYLSRUSA-N 2 2 338.499 2.597 20 30 EFEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851450 1315750107 /nfs/dbraw/zinc/75/01/07/1315750107.db2.gz AWYKBTSIROZZAO-UYAOXDASSA-N 2 2 347.503 2.581 20 30 EFEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851450 1315750110 /nfs/dbraw/zinc/75/01/10/1315750110.db2.gz AWYKBTSIROZZAO-UYAOXDASSA-N 2 2 347.503 2.581 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039413627 1315775664 /nfs/dbraw/zinc/77/56/64/1315775664.db2.gz URZURJASAGGZPN-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039413627 1315775667 /nfs/dbraw/zinc/77/56/67/1315775667.db2.gz URZURJASAGGZPN-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001039435408 1315789864 /nfs/dbraw/zinc/78/98/64/1315789864.db2.gz KNVGCBXUQUYWLF-IXDOHACOSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001039435408 1315789865 /nfs/dbraw/zinc/78/98/65/1315789865.db2.gz KNVGCBXUQUYWLF-IXDOHACOSA-N 2 2 342.487 2.861 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039648666 1315890583 /nfs/dbraw/zinc/89/05/83/1315890583.db2.gz ZBOSTFWSGNHRNM-OTWHNJEPSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039648666 1315890585 /nfs/dbraw/zinc/89/05/85/1315890585.db2.gz ZBOSTFWSGNHRNM-OTWHNJEPSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039648666 1315890587 /nfs/dbraw/zinc/89/05/87/1315890587.db2.gz ZBOSTFWSGNHRNM-OTWHNJEPSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039648666 1315890588 /nfs/dbraw/zinc/89/05/88/1315890588.db2.gz ZBOSTFWSGNHRNM-OTWHNJEPSA-N 2 2 345.531 2.586 20 30 EFEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001040209462 1316144702 /nfs/dbraw/zinc/14/47/02/1316144702.db2.gz PODJPSZYGFLUGL-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001040209462 1316144704 /nfs/dbraw/zinc/14/47/04/1316144704.db2.gz PODJPSZYGFLUGL-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040259112 1316170296 /nfs/dbraw/zinc/17/02/96/1316170296.db2.gz SQSBJLJFJZDBGM-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040259112 1316170297 /nfs/dbraw/zinc/17/02/97/1316170297.db2.gz SQSBJLJFJZDBGM-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001258907226 1316190949 /nfs/dbraw/zinc/19/09/49/1316190949.db2.gz OTIFIVMEYUHDDC-LPHOPBHVSA-N 2 2 345.487 2.742 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001040311839 1316196920 /nfs/dbraw/zinc/19/69/20/1316196920.db2.gz WSUXJMCQBDRFDP-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001040311839 1316196922 /nfs/dbraw/zinc/19/69/22/1316196922.db2.gz WSUXJMCQBDRFDP-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)CC1 ZINC001040703388 1316355242 /nfs/dbraw/zinc/35/52/42/1316355242.db2.gz CZVKPJRQKHZILV-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001040926556 1316405683 /nfs/dbraw/zinc/40/56/83/1316405683.db2.gz LGUYPQWPGGHDDQ-UHFFFAOYSA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041286672 1316503447 /nfs/dbraw/zinc/50/34/47/1316503447.db2.gz MBVQMQRYSPWZFM-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041286672 1316503450 /nfs/dbraw/zinc/50/34/50/1316503450.db2.gz MBVQMQRYSPWZFM-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041286674 1316503494 /nfs/dbraw/zinc/50/34/94/1316503494.db2.gz MBVQMQRYSPWZFM-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041286674 1316503497 /nfs/dbraw/zinc/50/34/97/1316503497.db2.gz MBVQMQRYSPWZFM-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717835 1316662540 /nfs/dbraw/zinc/66/25/40/1316662540.db2.gz UJTWVXQTJIQQHF-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717835 1316662542 /nfs/dbraw/zinc/66/25/42/1316662542.db2.gz UJTWVXQTJIQQHF-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133125 1316900296 /nfs/dbraw/zinc/90/02/96/1316900296.db2.gz HUUUESUVNZPYJM-WMLDXEAASA-N 2 2 344.846 2.623 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133125 1316900298 /nfs/dbraw/zinc/90/02/98/1316900298.db2.gz HUUUESUVNZPYJM-WMLDXEAASA-N 2 2 344.846 2.623 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001042296377 1317107212 /nfs/dbraw/zinc/10/72/12/1317107212.db2.gz AFQTYOLHUGIRQO-LPHOPBHVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001042296377 1317107220 /nfs/dbraw/zinc/10/72/20/1317107220.db2.gz AFQTYOLHUGIRQO-LPHOPBHVSA-N 2 2 336.439 2.595 20 30 EFEDLP C#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001279302051 1317230815 /nfs/dbraw/zinc/23/08/15/1317230815.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001279302051 1317230821 /nfs/dbraw/zinc/23/08/21/1317230821.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001279302051 1317230828 /nfs/dbraw/zinc/23/08/28/1317230828.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001279302051 1317230838 /nfs/dbraw/zinc/23/08/38/1317230838.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001338894989 1331754209 /nfs/dbraw/zinc/75/42/09/1331754209.db2.gz CWKOTJWUFOZVMF-IRXDYDNUSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001338894989 1331754210 /nfs/dbraw/zinc/75/42/10/1331754210.db2.gz CWKOTJWUFOZVMF-IRXDYDNUSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001339111952 1331793732 /nfs/dbraw/zinc/79/37/32/1331793732.db2.gz YXHAFMSWWAIZRV-INIZCTEOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001339111952 1331793734 /nfs/dbraw/zinc/79/37/34/1331793734.db2.gz YXHAFMSWWAIZRV-INIZCTEOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001340390052 1332186503 /nfs/dbraw/zinc/18/65/03/1332186503.db2.gz LZZLGEGXTUMIHY-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001340390052 1332186505 /nfs/dbraw/zinc/18/65/05/1332186505.db2.gz LZZLGEGXTUMIHY-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001340390052 1332186508 /nfs/dbraw/zinc/18/65/08/1332186508.db2.gz LZZLGEGXTUMIHY-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001340390052 1332186510 /nfs/dbraw/zinc/18/65/10/1332186510.db2.gz LZZLGEGXTUMIHY-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929569 1334994239 /nfs/dbraw/zinc/99/42/39/1334994239.db2.gz GZYDBTQVSXIZDD-PKOBYXMFSA-N 2 2 343.471 2.664 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929569 1334994241 /nfs/dbraw/zinc/99/42/41/1334994241.db2.gz GZYDBTQVSXIZDD-PKOBYXMFSA-N 2 2 343.471 2.664 20 30 EFEDLP N#Cc1ccnc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001363313734 1336870166 /nfs/dbraw/zinc/87/01/66/1336870166.db2.gz DADDPLREKRTFDK-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccnc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001363313734 1336870170 /nfs/dbraw/zinc/87/01/70/1336870170.db2.gz DADDPLREKRTFDK-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccnc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001363313734 1336870172 /nfs/dbraw/zinc/87/01/72/1336870172.db2.gz DADDPLREKRTFDK-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001363313734 1336870175 /nfs/dbraw/zinc/87/01/75/1336870175.db2.gz DADDPLREKRTFDK-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001366666703 1337828063 /nfs/dbraw/zinc/82/80/63/1337828063.db2.gz XVLFWJMZULOLPM-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001366666703 1337828072 /nfs/dbraw/zinc/82/80/72/1337828072.db2.gz XVLFWJMZULOLPM-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001374495162 1341975429 /nfs/dbraw/zinc/97/54/29/1341975429.db2.gz ZNSQXTYYNFSCKC-MRXNPFEDSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001374495162 1341975431 /nfs/dbraw/zinc/97/54/31/1341975431.db2.gz ZNSQXTYYNFSCKC-MRXNPFEDSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374495162 1341975433 /nfs/dbraw/zinc/97/54/33/1341975433.db2.gz ZNSQXTYYNFSCKC-MRXNPFEDSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001374495162 1341975434 /nfs/dbraw/zinc/97/54/34/1341975434.db2.gz ZNSQXTYYNFSCKC-MRXNPFEDSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001378507370 1345130277 /nfs/dbraw/zinc/13/02/77/1345130277.db2.gz CNFZGOOBFKAPHZ-HOTGVXAUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001378507370 1345130280 /nfs/dbraw/zinc/13/02/80/1345130280.db2.gz CNFZGOOBFKAPHZ-HOTGVXAUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001378968926 1345467746 /nfs/dbraw/zinc/46/77/46/1345467746.db2.gz LFQQVEORYRBOCG-OAHLLOKOSA-N 2 2 334.851 2.739 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001390635352 1354233642 /nfs/dbraw/zinc/23/36/42/1354233642.db2.gz HBLBIOLUSZKDGX-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001390635352 1354233645 /nfs/dbraw/zinc/23/36/45/1354233645.db2.gz HBLBIOLUSZKDGX-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001390635352 1354233649 /nfs/dbraw/zinc/23/36/49/1354233649.db2.gz HBLBIOLUSZKDGX-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001390635352 1354233653 /nfs/dbraw/zinc/23/36/53/1354233653.db2.gz HBLBIOLUSZKDGX-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001393393073 1356812924 /nfs/dbraw/zinc/81/29/24/1356812924.db2.gz XUZJHVAPWBYOKU-KGLIPLIRSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001398311201 1360456210 /nfs/dbraw/zinc/45/62/10/1360456210.db2.gz BVHMFHTZZFJBFO-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001398311201 1360456211 /nfs/dbraw/zinc/45/62/11/1360456211.db2.gz BVHMFHTZZFJBFO-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398311201 1360456213 /nfs/dbraw/zinc/45/62/13/1360456213.db2.gz BVHMFHTZZFJBFO-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398311201 1360456217 /nfs/dbraw/zinc/45/62/17/1360456217.db2.gz BVHMFHTZZFJBFO-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001402048535 1363358323 /nfs/dbraw/zinc/35/83/23/1363358323.db2.gz GUKOABPKKIVVSA-QGZVFWFLSA-N 2 2 344.846 2.819 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001402496070 1363738975 /nfs/dbraw/zinc/73/89/75/1363738975.db2.gz OSQHYBOAXIMOLL-BPLDGKMQSA-N 2 2 338.883 2.605 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001402496070 1363738977 /nfs/dbraw/zinc/73/89/77/1363738977.db2.gz OSQHYBOAXIMOLL-BPLDGKMQSA-N 2 2 338.883 2.605 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403283157 1364497446 /nfs/dbraw/zinc/49/74/46/1364497446.db2.gz CNFZGOOBFKAPHZ-HZPDHXFCSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403283157 1364497449 /nfs/dbraw/zinc/49/74/49/1364497449.db2.gz CNFZGOOBFKAPHZ-HZPDHXFCSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001403311019 1364527637 /nfs/dbraw/zinc/52/76/37/1364527637.db2.gz IGEIXXRAGLEOAF-OAHLLOKOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001403311019 1364527640 /nfs/dbraw/zinc/52/76/40/1364527640.db2.gz IGEIXXRAGLEOAF-OAHLLOKOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001437599734 1387814137 /nfs/dbraw/zinc/81/41/37/1387814137.db2.gz NQXWGEXJXVXXJV-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001437599734 1387814143 /nfs/dbraw/zinc/81/41/43/1387814143.db2.gz NQXWGEXJXVXXJV-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001437599734 1387814147 /nfs/dbraw/zinc/81/41/47/1387814147.db2.gz NQXWGEXJXVXXJV-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001437599734 1387814157 /nfs/dbraw/zinc/81/41/57/1387814157.db2.gz NQXWGEXJXVXXJV-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1CC ZINC001406806720 1368078953 /nfs/dbraw/zinc/07/89/53/1368078953.db2.gz KRPQCFCNUAOTDL-JKSUJKDBSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001417959017 1373453904 /nfs/dbraw/zinc/45/39/04/1373453904.db2.gz LYUYXOKTNINXAX-HNNXBMFYSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001417959017 1373453907 /nfs/dbraw/zinc/45/39/07/1373453907.db2.gz LYUYXOKTNINXAX-HNNXBMFYSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001419364063 1375169613 /nfs/dbraw/zinc/16/96/13/1375169613.db2.gz OHOGAJCIYATVGA-WMLDXEAASA-N 2 2 338.883 2.680 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420086637 1376440432 /nfs/dbraw/zinc/44/04/32/1376440432.db2.gz LUZZLWIIWXQFOK-JSGCOSHPSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001421700027 1379008175 /nfs/dbraw/zinc/00/81/75/1379008175.db2.gz DWGHRUVSJYTJQR-MRXNPFEDSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC001438620464 1388704134 /nfs/dbraw/zinc/70/41/34/1388704134.db2.gz GDPCREPPUUSXRF-UHFFFAOYSA-N 2 2 341.927 2.641 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001438620464 1388704138 /nfs/dbraw/zinc/70/41/38/1388704138.db2.gz GDPCREPPUUSXRF-UHFFFAOYSA-N 2 2 341.927 2.641 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001500002287 1402892141 /nfs/dbraw/zinc/89/21/41/1402892141.db2.gz GSFLSUWEZBZZTA-UHFFFAOYSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001502141523 1404039742 /nfs/dbraw/zinc/03/97/42/1404039742.db2.gz ZVTJGCZSDQRMOG-INIZCTEOSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001502141523 1404039746 /nfs/dbraw/zinc/03/97/46/1404039746.db2.gz ZVTJGCZSDQRMOG-INIZCTEOSA-N 2 2 338.883 2.695 20 30 EFEDLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccc(C#N)c1 ZINC001567336245 1416078881 /nfs/dbraw/zinc/07/88/81/1416078881.db2.gz UDXKYWWQJWUJQR-UHFFFAOYSA-N 2 2 347.422 2.686 20 30 EFEDLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccc(C#N)c1 ZINC001567336245 1416078884 /nfs/dbraw/zinc/07/88/84/1416078884.db2.gz UDXKYWWQJWUJQR-UHFFFAOYSA-N 2 2 347.422 2.686 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969675376 713215310 /nfs/dbraw/zinc/21/53/10/713215310.db2.gz TVJGMMOVEKQAJT-HNNXBMFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576004 714121609 /nfs/dbraw/zinc/12/16/09/714121609.db2.gz QBCHLSCNYDYNJD-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576004 714121610 /nfs/dbraw/zinc/12/16/10/714121610.db2.gz QBCHLSCNYDYNJD-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602243 714162090 /nfs/dbraw/zinc/16/20/90/714162090.db2.gz GRWSPWOBZSVQCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602243 714162092 /nfs/dbraw/zinc/16/20/92/714162092.db2.gz GRWSPWOBZSVQCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602243 714162094 /nfs/dbraw/zinc/16/20/94/714162094.db2.gz GRWSPWOBZSVQCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602243 714162096 /nfs/dbraw/zinc/16/20/96/714162096.db2.gz GRWSPWOBZSVQCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602242 714162414 /nfs/dbraw/zinc/16/24/14/714162414.db2.gz GRWSPWOBZSVQCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602242 714162417 /nfs/dbraw/zinc/16/24/17/714162417.db2.gz GRWSPWOBZSVQCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602242 714162419 /nfs/dbraw/zinc/16/24/19/714162419.db2.gz GRWSPWOBZSVQCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602242 714162423 /nfs/dbraw/zinc/16/24/23/714162423.db2.gz GRWSPWOBZSVQCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611141 714174862 /nfs/dbraw/zinc/17/48/62/714174862.db2.gz NKFWSTZTIRTNOL-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611141 714174863 /nfs/dbraw/zinc/17/48/63/714174863.db2.gz NKFWSTZTIRTNOL-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612757 714176613 /nfs/dbraw/zinc/17/66/13/714176613.db2.gz FOIMXZRKLVLQHG-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612757 714176614 /nfs/dbraw/zinc/17/66/14/714176614.db2.gz FOIMXZRKLVLQHG-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646790 714234585 /nfs/dbraw/zinc/23/45/85/714234585.db2.gz SBYGIITUMXTPIC-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646790 714234587 /nfs/dbraw/zinc/23/45/87/714234587.db2.gz SBYGIITUMXTPIC-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947436344 714419150 /nfs/dbraw/zinc/41/91/50/714419150.db2.gz HPSXHZSARFCQNT-RDJZCZTQSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947436344 714419153 /nfs/dbraw/zinc/41/91/53/714419153.db2.gz HPSXHZSARFCQNT-RDJZCZTQSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442744 714510132 /nfs/dbraw/zinc/51/01/32/714510132.db2.gz YXFKSPUGHGTARR-SJORKVTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442744 714510136 /nfs/dbraw/zinc/51/01/36/714510136.db2.gz YXFKSPUGHGTARR-SJORKVTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971627289 714754826 /nfs/dbraw/zinc/75/48/26/714754826.db2.gz QADFWTCZCFYBMK-AWEZNQCLSA-N 2 2 341.908 2.709 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971627289 714754827 /nfs/dbraw/zinc/75/48/27/714754827.db2.gz QADFWTCZCFYBMK-AWEZNQCLSA-N 2 2 341.908 2.709 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481089 715980524 /nfs/dbraw/zinc/98/05/24/715980524.db2.gz OZUKSFIMYYJNAJ-HNNXBMFYSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481089 715980528 /nfs/dbraw/zinc/98/05/28/715980528.db2.gz OZUKSFIMYYJNAJ-HNNXBMFYSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485983 716029034 /nfs/dbraw/zinc/02/90/34/716029034.db2.gz PLJBOQNYIHOMBE-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485983 716029037 /nfs/dbraw/zinc/02/90/37/716029037.db2.gz PLJBOQNYIHOMBE-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485983 716029040 /nfs/dbraw/zinc/02/90/40/716029040.db2.gz PLJBOQNYIHOMBE-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485983 716029042 /nfs/dbraw/zinc/02/90/42/716029042.db2.gz PLJBOQNYIHOMBE-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978502223 716204894 /nfs/dbraw/zinc/20/48/94/716204894.db2.gz OOEIYRKYEWRNDC-NNZMDNLPSA-N 2 2 327.472 2.881 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978502223 716204897 /nfs/dbraw/zinc/20/48/97/716204897.db2.gz OOEIYRKYEWRNDC-NNZMDNLPSA-N 2 2 327.472 2.881 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623891 716425175 /nfs/dbraw/zinc/42/51/75/716425175.db2.gz YJZBZQXGLYNNSY-KRWDZBQOSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623891 716425178 /nfs/dbraw/zinc/42/51/78/716425178.db2.gz YJZBZQXGLYNNSY-KRWDZBQOSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623894 716425389 /nfs/dbraw/zinc/42/53/89/716425389.db2.gz YJZBZQXGLYNNSY-QGZVFWFLSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623894 716425391 /nfs/dbraw/zinc/42/53/91/716425391.db2.gz YJZBZQXGLYNNSY-QGZVFWFLSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027547358 716449507 /nfs/dbraw/zinc/44/95/07/716449507.db2.gz XNDQTQBNXOKQGH-OAHLLOKOSA-N 2 2 339.867 2.630 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027547358 716449512 /nfs/dbraw/zinc/44/95/12/716449512.db2.gz XNDQTQBNXOKQGH-OAHLLOKOSA-N 2 2 339.867 2.630 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560159 716623314 /nfs/dbraw/zinc/62/33/14/716623314.db2.gz MQEUVFJSEGDVSZ-AWEZNQCLSA-N 2 2 339.867 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560159 716623317 /nfs/dbraw/zinc/62/33/17/716623317.db2.gz MQEUVFJSEGDVSZ-AWEZNQCLSA-N 2 2 339.867 2.536 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681136 716808689 /nfs/dbraw/zinc/80/86/89/716808689.db2.gz HDBLZXDUFZNKTF-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681136 716808693 /nfs/dbraw/zinc/80/86/93/716808693.db2.gz HDBLZXDUFZNKTF-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979714502 717358982 /nfs/dbraw/zinc/35/89/82/717358982.db2.gz PBXDMHFZFKYAKD-KSZLIROESA-N 2 2 338.455 2.659 20 30 EFEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979714502 717358986 /nfs/dbraw/zinc/35/89/86/717358986.db2.gz PBXDMHFZFKYAKD-KSZLIROESA-N 2 2 338.455 2.659 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979994620 717644592 /nfs/dbraw/zinc/64/45/92/717644592.db2.gz XMMISYLQLRRDCR-UAGQMJEPSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979994620 717644597 /nfs/dbraw/zinc/64/45/97/717644597.db2.gz XMMISYLQLRRDCR-UAGQMJEPSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440203 717738629 /nfs/dbraw/zinc/73/86/29/717738629.db2.gz LVMKUKJFDPOZBU-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440203 717738630 /nfs/dbraw/zinc/73/86/30/717738630.db2.gz LVMKUKJFDPOZBU-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440202 717739203 /nfs/dbraw/zinc/73/92/03/717739203.db2.gz LVMKUKJFDPOZBU-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440202 717739206 /nfs/dbraw/zinc/73/92/06/717739206.db2.gz LVMKUKJFDPOZBU-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468721 717774495 /nfs/dbraw/zinc/77/44/95/717774495.db2.gz MNQJFERYJDHVCX-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468721 717774499 /nfs/dbraw/zinc/77/44/99/717774499.db2.gz MNQJFERYJDHVCX-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468721 717774503 /nfs/dbraw/zinc/77/45/03/717774503.db2.gz MNQJFERYJDHVCX-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468721 717774507 /nfs/dbraw/zinc/77/45/07/717774507.db2.gz MNQJFERYJDHVCX-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027984521 717782854 /nfs/dbraw/zinc/78/28/54/717782854.db2.gz OOFUGNFRXUWIFZ-CQSZACIVSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027984521 717782856 /nfs/dbraw/zinc/78/28/56/717782856.db2.gz OOFUGNFRXUWIFZ-CQSZACIVSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883314 717787659 /nfs/dbraw/zinc/78/76/59/717787659.db2.gz JMMBIRDTUYBAJY-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883314 717787663 /nfs/dbraw/zinc/78/76/63/717787663.db2.gz JMMBIRDTUYBAJY-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476949 717789750 /nfs/dbraw/zinc/78/97/50/717789750.db2.gz HNULRANEVBOLEF-DLBZAZTESA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024476949 717789754 /nfs/dbraw/zinc/78/97/54/717789754.db2.gz HNULRANEVBOLEF-DLBZAZTESA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024476949 717789759 /nfs/dbraw/zinc/78/97/59/717789759.db2.gz HNULRANEVBOLEF-DLBZAZTESA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024476949 717789763 /nfs/dbraw/zinc/78/97/63/717789763.db2.gz HNULRANEVBOLEF-DLBZAZTESA-N 2 2 341.927 2.688 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024486831 717810517 /nfs/dbraw/zinc/81/05/17/717810517.db2.gz JHANQFMBZXMEJF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024486831 717810521 /nfs/dbraw/zinc/81/05/21/717810521.db2.gz JHANQFMBZXMEJF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024486831 717810526 /nfs/dbraw/zinc/81/05/26/717810526.db2.gz JHANQFMBZXMEJF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024486831 717810532 /nfs/dbraw/zinc/81/05/32/717810532.db2.gz JHANQFMBZXMEJF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645435 718057445 /nfs/dbraw/zinc/05/74/45/718057445.db2.gz ADLMOQVBPYZYCT-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645435 718057448 /nfs/dbraw/zinc/05/74/48/718057448.db2.gz ADLMOQVBPYZYCT-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024693049 718086737 /nfs/dbraw/zinc/08/67/37/718086737.db2.gz VGHQTDAEEWOTIC-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024693049 718086742 /nfs/dbraw/zinc/08/67/42/718086742.db2.gz VGHQTDAEEWOTIC-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024693049 718086743 /nfs/dbraw/zinc/08/67/43/718086743.db2.gz VGHQTDAEEWOTIC-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024693049 718086746 /nfs/dbraw/zinc/08/67/46/718086746.db2.gz VGHQTDAEEWOTIC-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000985492251 724481876 /nfs/dbraw/zinc/48/18/76/724481876.db2.gz DTSAJJFLGMCFDO-UHFFFAOYSA-N 2 2 332.835 2.852 20 30 EFEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000985492251 724481880 /nfs/dbraw/zinc/48/18/80/724481880.db2.gz DTSAJJFLGMCFDO-UHFFFAOYSA-N 2 2 332.835 2.852 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981169209 718163084 /nfs/dbraw/zinc/16/30/84/718163084.db2.gz YGFLTAKOFLSFGE-LSDHHAIUSA-N 2 2 338.883 2.696 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024811883 718175378 /nfs/dbraw/zinc/17/53/78/718175378.db2.gz DFMOYELDEQCNPG-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024811883 718175379 /nfs/dbraw/zinc/17/53/79/718175379.db2.gz DFMOYELDEQCNPG-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024811883 718175380 /nfs/dbraw/zinc/17/53/80/718175380.db2.gz DFMOYELDEQCNPG-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024811883 718175382 /nfs/dbraw/zinc/17/53/82/718175382.db2.gz DFMOYELDEQCNPG-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235536 718451264 /nfs/dbraw/zinc/45/12/64/718451264.db2.gz ASKRJQJJYMMFIF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235536 718451265 /nfs/dbraw/zinc/45/12/65/718451265.db2.gz ASKRJQJJYMMFIF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235536 718451268 /nfs/dbraw/zinc/45/12/68/718451268.db2.gz ASKRJQJJYMMFIF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235536 718451269 /nfs/dbraw/zinc/45/12/69/718451269.db2.gz ASKRJQJJYMMFIF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238296 718455966 /nfs/dbraw/zinc/45/59/66/718455966.db2.gz QXYBJKHEVJELLF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238296 718455968 /nfs/dbraw/zinc/45/59/68/718455968.db2.gz QXYBJKHEVJELLF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238296 718455970 /nfs/dbraw/zinc/45/59/70/718455970.db2.gz QXYBJKHEVJELLF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238296 718455972 /nfs/dbraw/zinc/45/59/72/718455972.db2.gz QXYBJKHEVJELLF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245471 718470205 /nfs/dbraw/zinc/47/02/05/718470205.db2.gz MYRFAWYHHLJLIT-RBUKOAKNSA-N 2 2 336.439 2.655 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245471 718470207 /nfs/dbraw/zinc/47/02/07/718470207.db2.gz MYRFAWYHHLJLIT-RBUKOAKNSA-N 2 2 336.439 2.655 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250956 718472028 /nfs/dbraw/zinc/47/20/28/718472028.db2.gz FTVOQEGZIRQVAE-MSOLQXFVSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250956 718472030 /nfs/dbraw/zinc/47/20/30/718472030.db2.gz FTVOQEGZIRQVAE-MSOLQXFVSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272387 718501116 /nfs/dbraw/zinc/50/11/16/718501116.db2.gz KZECUKFZUYKRHY-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272387 718501118 /nfs/dbraw/zinc/50/11/18/718501118.db2.gz KZECUKFZUYKRHY-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272389 718501273 /nfs/dbraw/zinc/50/12/73/718501273.db2.gz KZECUKFZUYKRHY-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272389 718501276 /nfs/dbraw/zinc/50/12/76/718501276.db2.gz KZECUKFZUYKRHY-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222751 718526930 /nfs/dbraw/zinc/52/69/30/718526930.db2.gz GFPRYHZYHKSTFA-KGLIPLIRSA-N 2 2 332.835 2.717 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289760 718530017 /nfs/dbraw/zinc/53/00/17/718530017.db2.gz SBUDQHXDJVBNFX-MOPGFXCFSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289760 718530019 /nfs/dbraw/zinc/53/00/19/718530019.db2.gz SBUDQHXDJVBNFX-MOPGFXCFSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025294255 718536509 /nfs/dbraw/zinc/53/65/09/718536509.db2.gz YGXKPCCUTDIJSP-QZTJIDSGSA-N 2 2 330.476 2.682 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025294255 718536511 /nfs/dbraw/zinc/53/65/11/718536511.db2.gz YGXKPCCUTDIJSP-QZTJIDSGSA-N 2 2 330.476 2.682 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289588 718540295 /nfs/dbraw/zinc/54/02/95/718540295.db2.gz QWXVMYWGWBXVOU-IRXDYDNUSA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289588 718540298 /nfs/dbraw/zinc/54/02/98/718540298.db2.gz QWXVMYWGWBXVOU-IRXDYDNUSA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289589 718540653 /nfs/dbraw/zinc/54/06/53/718540653.db2.gz QWXVMYWGWBXVOU-SJORKVTESA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289589 718540654 /nfs/dbraw/zinc/54/06/54/718540654.db2.gz QWXVMYWGWBXVOU-SJORKVTESA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297927 718545316 /nfs/dbraw/zinc/54/53/16/718545316.db2.gz SCKIHPNOUXEVBM-OALUTQOASA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297927 718545318 /nfs/dbraw/zinc/54/53/18/718545318.db2.gz SCKIHPNOUXEVBM-OALUTQOASA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981384109 718671550 /nfs/dbraw/zinc/67/15/50/718671550.db2.gz HATHXTKIOUVPPX-DLBZAZTESA-N 2 2 340.471 2.778 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981384110 718671598 /nfs/dbraw/zinc/67/15/98/718671598.db2.gz HATHXTKIOUVPPX-IAGOWNOFSA-N 2 2 340.471 2.778 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137264 719113550 /nfs/dbraw/zinc/11/35/50/719113550.db2.gz IDUDBNOESDSLMO-SFHVURJKSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137264 719113553 /nfs/dbraw/zinc/11/35/53/719113553.db2.gz IDUDBNOESDSLMO-SFHVURJKSA-N 2 2 349.906 2.737 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581277 719162820 /nfs/dbraw/zinc/16/28/20/719162820.db2.gz AZYRSCRYZMJERO-WMZOPIPTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581277 719162822 /nfs/dbraw/zinc/16/28/22/719162822.db2.gz AZYRSCRYZMJERO-WMZOPIPTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028251814 719877722 /nfs/dbraw/zinc/87/77/22/719877722.db2.gz MLGDWRUYQBBBFX-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028251814 719877727 /nfs/dbraw/zinc/87/77/27/719877727.db2.gz MLGDWRUYQBBBFX-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028251814 719877730 /nfs/dbraw/zinc/87/77/30/719877730.db2.gz MLGDWRUYQBBBFX-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028251814 719877736 /nfs/dbraw/zinc/87/77/36/719877736.db2.gz MLGDWRUYQBBBFX-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001026296286 720176664 /nfs/dbraw/zinc/17/66/64/720176664.db2.gz VTWLZSSHGOHVSH-JGGQBBKZSA-N 2 2 344.846 2.756 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001026559007 720751174 /nfs/dbraw/zinc/75/11/74/720751174.db2.gz VLSLWKAGSHOOPL-JXQTWKCFSA-N 2 2 336.867 2.599 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598774 720932290 /nfs/dbraw/zinc/93/22/90/720932290.db2.gz KWKTYQKUSDMHPZ-YTQUADARSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598774 720932292 /nfs/dbraw/zinc/93/22/92/720932292.db2.gz KWKTYQKUSDMHPZ-YTQUADARSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581529 721186466 /nfs/dbraw/zinc/18/64/66/721186466.db2.gz FRRNGEVVUGKUMK-INIZCTEOSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581529 721186469 /nfs/dbraw/zinc/18/64/69/721186469.db2.gz FRRNGEVVUGKUMK-INIZCTEOSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761223 721399485 /nfs/dbraw/zinc/39/94/85/721399485.db2.gz TWRTZUPNLUVJBW-HOTGVXAUSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761223 721399488 /nfs/dbraw/zinc/39/94/88/721399488.db2.gz TWRTZUPNLUVJBW-HOTGVXAUSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761223 721399474 /nfs/dbraw/zinc/39/94/74/721399474.db2.gz TWRTZUPNLUVJBW-HOTGVXAUSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761223 721399479 /nfs/dbraw/zinc/39/94/79/721399479.db2.gz TWRTZUPNLUVJBW-HOTGVXAUSA-N 2 2 341.927 2.686 20 30 EFEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC2(C1)CCCCC2 ZINC000262465872 724047414 /nfs/dbraw/zinc/04/74/14/724047414.db2.gz NPBDSBIFCRVWQO-UHFFFAOYSA-N 2 2 343.519 2.994 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000985433124 724340949 /nfs/dbraw/zinc/34/09/49/724340949.db2.gz JHSVWYGWCXKECY-UHFFFAOYSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000985433124 724340950 /nfs/dbraw/zinc/34/09/50/724340950.db2.gz JHSVWYGWCXKECY-UHFFFAOYSA-N 2 2 346.862 2.932 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992029768 725473339 /nfs/dbraw/zinc/47/33/39/725473339.db2.gz JACKCITUAFEQBM-FPOVZHCZSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992029768 725473342 /nfs/dbraw/zinc/47/33/42/725473342.db2.gz JACKCITUAFEQBM-FPOVZHCZSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000730279974 725593021 /nfs/dbraw/zinc/59/30/21/725593021.db2.gz VEJDIFFSKIWPGM-FQEVSTJZSA-N 2 2 339.483 2.751 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000730279974 725593025 /nfs/dbraw/zinc/59/30/25/725593025.db2.gz VEJDIFFSKIWPGM-FQEVSTJZSA-N 2 2 339.483 2.751 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992362356 725746019 /nfs/dbraw/zinc/74/60/19/725746019.db2.gz JIZOUYXJMSKLAS-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992362356 725746021 /nfs/dbraw/zinc/74/60/21/725746021.db2.gz JIZOUYXJMSKLAS-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993355357 727158343 /nfs/dbraw/zinc/15/83/43/727158343.db2.gz VGVABMFIDIUCQX-WBVHZDCISA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993355357 727158345 /nfs/dbraw/zinc/15/83/45/727158345.db2.gz VGVABMFIDIUCQX-WBVHZDCISA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993490377 727292777 /nfs/dbraw/zinc/29/27/77/727292777.db2.gz KYLWQCWKXWVTGG-HOTGVXAUSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993490377 727292778 /nfs/dbraw/zinc/29/27/78/727292778.db2.gz KYLWQCWKXWVTGG-HOTGVXAUSA-N 2 2 339.911 2.584 20 30 EFEDLP C=CCC[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000912419614 727710069 /nfs/dbraw/zinc/71/00/69/727710069.db2.gz RCCAQKYQKOJGLW-LJQANCHMSA-N 2 2 348.535 2.685 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991448503 727826507 /nfs/dbraw/zinc/82/65/07/727826507.db2.gz RRPWFNJISAZFPT-ABSDTBQOSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991448503 727826508 /nfs/dbraw/zinc/82/65/08/727826508.db2.gz RRPWFNJISAZFPT-ABSDTBQOSA-N 2 2 342.487 2.525 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314820 728107058 /nfs/dbraw/zinc/10/70/58/728107058.db2.gz ILEYCBDOZJCPSL-RHSMWYFYSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314820 728107060 /nfs/dbraw/zinc/10/70/60/728107060.db2.gz ILEYCBDOZJCPSL-RHSMWYFYSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942182987 728347439 /nfs/dbraw/zinc/34/74/39/728347439.db2.gz DMMKOAHJIBJYLF-BXUZGUMPSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942182987 728347441 /nfs/dbraw/zinc/34/74/41/728347441.db2.gz DMMKOAHJIBJYLF-BXUZGUMPSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942182988 728347490 /nfs/dbraw/zinc/34/74/90/728347490.db2.gz DMMKOAHJIBJYLF-FZMZJTMJSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942182988 728347492 /nfs/dbraw/zinc/34/74/92/728347492.db2.gz DMMKOAHJIBJYLF-FZMZJTMJSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183678 728348132 /nfs/dbraw/zinc/34/81/32/728348132.db2.gz JYROHJLXVBBKJH-GOEBONIOSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183678 728348135 /nfs/dbraw/zinc/34/81/35/728348135.db2.gz JYROHJLXVBBKJH-GOEBONIOSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000171144460 728519498 /nfs/dbraw/zinc/51/94/98/728519498.db2.gz SWTJSXUFEPQVCC-KRWDZBQOSA-N 2 2 340.496 2.938 20 30 EFEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000171144460 728519500 /nfs/dbraw/zinc/51/95/00/728519500.db2.gz SWTJSXUFEPQVCC-KRWDZBQOSA-N 2 2 340.496 2.938 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823877984 946499200 /nfs/dbraw/zinc/49/92/00/946499200.db2.gz LNLVNXIKWHHIAZ-AWEZNQCLSA-N 2 2 326.448 2.558 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001580065440 1090759545 /nfs/dbraw/zinc/75/95/45/1090759545.db2.gz HKMYVNIDDZHLIN-RDTXWAMCSA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001580065440 1090759548 /nfs/dbraw/zinc/75/95/48/1090759548.db2.gz HKMYVNIDDZHLIN-RDTXWAMCSA-N 2 2 346.862 2.601 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075450941 1092922685 /nfs/dbraw/zinc/92/26/85/1092922685.db2.gz IKMGNAGEKKJUDE-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075450941 1092922694 /nfs/dbraw/zinc/92/26/94/1092922694.db2.gz IKMGNAGEKKJUDE-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC001650154856 1092982943 /nfs/dbraw/zinc/98/29/43/1092982943.db2.gz VGWNTRWHMGHDRL-IAGOWNOFSA-N 2 2 326.444 2.594 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075454070 1093042819 /nfs/dbraw/zinc/04/28/19/1093042819.db2.gz KNAGUARSMVHLPE-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075454070 1093042827 /nfs/dbraw/zinc/04/28/27/1093042827.db2.gz KNAGUARSMVHLPE-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075454070 1093042838 /nfs/dbraw/zinc/04/28/38/1093042838.db2.gz KNAGUARSMVHLPE-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075454070 1093042845 /nfs/dbraw/zinc/04/28/45/1093042845.db2.gz KNAGUARSMVHLPE-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001104461107 1093333526 /nfs/dbraw/zinc/33/35/26/1093333526.db2.gz FRTCIQCRSFVDEV-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104467942 1093385466 /nfs/dbraw/zinc/38/54/66/1093385466.db2.gz ARESKGRUIFYCIX-KZNAEPCWSA-N 2 2 332.492 2.702 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738389 1094796634 /nfs/dbraw/zinc/79/66/34/1094796634.db2.gz STYHMGAXRWGRIV-KZNAEPCWSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087293158 1095026163 /nfs/dbraw/zinc/02/61/63/1095026163.db2.gz ZGEFLMKLIKDHRE-OLMNPRSZSA-N 2 2 338.455 2.968 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087293158 1095026176 /nfs/dbraw/zinc/02/61/76/1095026176.db2.gz ZGEFLMKLIKDHRE-OLMNPRSZSA-N 2 2 338.455 2.968 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161196 1095042727 /nfs/dbraw/zinc/04/27/27/1095042727.db2.gz PUBMWWYRPSFKLW-SJORKVTESA-N 2 2 338.455 2.931 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087313227 1095259010 /nfs/dbraw/zinc/25/90/10/1095259010.db2.gz QXJIUCDJELGGFT-NEWSRXKRSA-N 2 2 344.503 2.534 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087313227 1095259018 /nfs/dbraw/zinc/25/90/18/1095259018.db2.gz QXJIUCDJELGGFT-NEWSRXKRSA-N 2 2 344.503 2.534 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087316934 1095303571 /nfs/dbraw/zinc/30/35/71/1095303571.db2.gz ZOEIWHIAHUGFQQ-AYOQOUSVSA-N 2 2 344.503 2.832 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087316934 1095303583 /nfs/dbraw/zinc/30/35/83/1095303583.db2.gz ZOEIWHIAHUGFQQ-AYOQOUSVSA-N 2 2 344.503 2.832 20 30 EFEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783031751 1095336840 /nfs/dbraw/zinc/33/68/40/1095336840.db2.gz XLIKBLWZKBFDPM-HXUWFJFHSA-N 2 2 338.455 2.981 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181002 1095918033 /nfs/dbraw/zinc/91/80/33/1095918033.db2.gz LKRKQFROIPLNER-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181002 1095918036 /nfs/dbraw/zinc/91/80/36/1095918036.db2.gz LKRKQFROIPLNER-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181002 1095918041 /nfs/dbraw/zinc/91/80/41/1095918041.db2.gz LKRKQFROIPLNER-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181002 1095918048 /nfs/dbraw/zinc/91/80/48/1095918048.db2.gz LKRKQFROIPLNER-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181004 1095918826 /nfs/dbraw/zinc/91/88/26/1095918826.db2.gz LKRKQFROIPLNER-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181004 1095918835 /nfs/dbraw/zinc/91/88/35/1095918835.db2.gz LKRKQFROIPLNER-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181004 1095918850 /nfs/dbraw/zinc/91/88/50/1095918850.db2.gz LKRKQFROIPLNER-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181004 1095918863 /nfs/dbraw/zinc/91/88/63/1095918863.db2.gz LKRKQFROIPLNER-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956030 1096052331 /nfs/dbraw/zinc/05/23/31/1096052331.db2.gz AAMSNJXFJBYIRZ-DZJNRPSUSA-N 2 2 332.492 2.605 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956030 1096052339 /nfs/dbraw/zinc/05/23/39/1096052339.db2.gz AAMSNJXFJBYIRZ-DZJNRPSUSA-N 2 2 332.492 2.605 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956030 1096052346 /nfs/dbraw/zinc/05/23/46/1096052346.db2.gz AAMSNJXFJBYIRZ-DZJNRPSUSA-N 2 2 332.492 2.605 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956030 1096052355 /nfs/dbraw/zinc/05/23/55/1096052355.db2.gz AAMSNJXFJBYIRZ-DZJNRPSUSA-N 2 2 332.492 2.605 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001602863009 1096388894 /nfs/dbraw/zinc/38/88/94/1096388894.db2.gz PDSHXRJPGYNRPR-KRWDZBQOSA-N 2 2 326.448 2.558 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481752314 1096533375 /nfs/dbraw/zinc/53/33/75/1096533375.db2.gz ZMFYAWMUUTVSCM-INIZCTEOSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481752314 1096533380 /nfs/dbraw/zinc/53/33/80/1096533380.db2.gz ZMFYAWMUUTVSCM-INIZCTEOSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481752315 1096533475 /nfs/dbraw/zinc/53/34/75/1096533475.db2.gz ZMFYAWMUUTVSCM-MRXNPFEDSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481752315 1096533481 /nfs/dbraw/zinc/53/34/81/1096533481.db2.gz ZMFYAWMUUTVSCM-MRXNPFEDSA-N 2 2 327.900 2.538 20 30 EFEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001104865637 1098808009 /nfs/dbraw/zinc/80/80/09/1098808009.db2.gz SJCVHZXMGMFFAI-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104912397 1098989067 /nfs/dbraw/zinc/98/90/67/1098989067.db2.gz ROSIJKQFDNPYBK-HZPDHXFCSA-N 2 2 332.492 2.728 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097116 1099681899 /nfs/dbraw/zinc/68/18/99/1099681899.db2.gz JOPZUIYUVXCCDN-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536074 1099795431 /nfs/dbraw/zinc/79/54/31/1099795431.db2.gz OMUPZMMTCUGXMI-GJYPPUQNSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569713 1100538461 /nfs/dbraw/zinc/53/84/61/1100538461.db2.gz JLCFSMSZCJGTQB-ARFHVFGLSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569713 1100538464 /nfs/dbraw/zinc/53/84/64/1100538464.db2.gz JLCFSMSZCJGTQB-ARFHVFGLSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569713 1100538467 /nfs/dbraw/zinc/53/84/67/1100538467.db2.gz JLCFSMSZCJGTQB-ARFHVFGLSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569713 1100538472 /nfs/dbraw/zinc/53/84/72/1100538472.db2.gz JLCFSMSZCJGTQB-ARFHVFGLSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720545 1100697752 /nfs/dbraw/zinc/69/77/52/1100697752.db2.gz ZDUUVZBMFXMLAY-YQQAZPJKSA-N 2 2 330.476 2.765 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720545 1100697755 /nfs/dbraw/zinc/69/77/55/1100697755.db2.gz ZDUUVZBMFXMLAY-YQQAZPJKSA-N 2 2 330.476 2.765 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001168039483 1101086241 /nfs/dbraw/zinc/08/62/41/1101086241.db2.gz FOXNNVKKLCXRNP-NBMJBFSESA-N 2 2 347.503 2.938 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001168039483 1101086246 /nfs/dbraw/zinc/08/62/46/1101086246.db2.gz FOXNNVKKLCXRNP-NBMJBFSESA-N 2 2 347.503 2.938 20 30 EFEDLP C[C@@H]1C[C@@H]([NH+]2CCN(CCC#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051107 1101496710 /nfs/dbraw/zinc/49/67/10/1101496710.db2.gz GFOYESVSSCUFMT-CEQLMSFQSA-N 2 2 340.515 2.959 20 30 EFEDLP C[C@@H]1C[C@@H]([NH+]2CCN(CCC#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051107 1101496715 /nfs/dbraw/zinc/49/67/15/1101496715.db2.gz GFOYESVSSCUFMT-CEQLMSFQSA-N 2 2 340.515 2.959 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065783 1103386768 /nfs/dbraw/zinc/38/67/68/1103386768.db2.gz GORCJYYWPREIPJ-RVKKMQEKSA-N 2 2 348.878 2.626 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065783 1103386780 /nfs/dbraw/zinc/38/67/80/1103386780.db2.gz GORCJYYWPREIPJ-RVKKMQEKSA-N 2 2 348.878 2.626 20 30 EFEDLP N=C(Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1nccs1 ZINC001168279762 1105773040 /nfs/dbraw/zinc/77/30/40/1105773040.db2.gz WGNWCAFLJKWBRM-CYBMUJFWSA-N 2 2 340.456 2.844 20 30 EFEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105533097 1105897022 /nfs/dbraw/zinc/89/70/22/1105897022.db2.gz YJNNGIKGQMQJEC-QGZVFWFLSA-N 2 2 342.487 2.507 20 30 EFEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542681 1105901003 /nfs/dbraw/zinc/90/10/03/1105901003.db2.gz ZMDZSBZVQRHUBY-SFHVURJKSA-N 2 2 342.487 2.507 20 30 EFEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542681 1105901009 /nfs/dbraw/zinc/90/10/09/1105901009.db2.gz ZMDZSBZVQRHUBY-SFHVURJKSA-N 2 2 342.487 2.507 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)CCC1 ZINC001105551977 1105924817 /nfs/dbraw/zinc/92/48/17/1105924817.db2.gz SKHXDXOKHUXTJV-QGZVFWFLSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551586 1105925226 /nfs/dbraw/zinc/92/52/26/1105925226.db2.gz HJKBMDSBFCRQIZ-GOSISDBHSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566922 1105945007 /nfs/dbraw/zinc/94/50/07/1105945007.db2.gz ZFFIBOJLWONNBQ-QGZVFWFLSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105577613 1105966752 /nfs/dbraw/zinc/96/67/52/1105966752.db2.gz XWVNDYGVIYUNNF-GOSISDBHSA-N 2 2 344.503 2.978 20 30 EFEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458314 1106282567 /nfs/dbraw/zinc/28/25/67/1106282567.db2.gz GKHWCACHUHMOPD-HXUWFJFHSA-N 2 2 329.488 2.574 20 30 EFEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458314 1106282570 /nfs/dbraw/zinc/28/25/70/1106282570.db2.gz GKHWCACHUHMOPD-HXUWFJFHSA-N 2 2 329.488 2.574 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088897315 1106948302 /nfs/dbraw/zinc/94/83/02/1106948302.db2.gz DOMANOGBQHQCQO-OWCLPIDISA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088897315 1106948314 /nfs/dbraw/zinc/94/83/14/1106948314.db2.gz DOMANOGBQHQCQO-OWCLPIDISA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897315 1106948326 /nfs/dbraw/zinc/94/83/26/1106948326.db2.gz DOMANOGBQHQCQO-OWCLPIDISA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897315 1106948336 /nfs/dbraw/zinc/94/83/36/1106948336.db2.gz DOMANOGBQHQCQO-OWCLPIDISA-N 2 2 327.900 2.581 20 30 EFEDLP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000924796931 1107759347 /nfs/dbraw/zinc/75/93/47/1107759347.db2.gz YLKMAXTVDKKELO-QGZVFWFLSA-N 2 2 345.487 2.816 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990642529 1108534528 /nfs/dbraw/zinc/53/45/28/1108534528.db2.gz ZXHYMLKFJGVPRY-XYJFISCASA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990642529 1108534539 /nfs/dbraw/zinc/53/45/39/1108534539.db2.gz ZXHYMLKFJGVPRY-XYJFISCASA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990642529 1108534549 /nfs/dbraw/zinc/53/45/49/1108534549.db2.gz ZXHYMLKFJGVPRY-XYJFISCASA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990642529 1108534560 /nfs/dbraw/zinc/53/45/60/1108534560.db2.gz ZXHYMLKFJGVPRY-XYJFISCASA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417837 1109821116 /nfs/dbraw/zinc/82/11/16/1109821116.db2.gz WPTJHQNLPMUMEZ-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417837 1109821120 /nfs/dbraw/zinc/82/11/20/1109821120.db2.gz WPTJHQNLPMUMEZ-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168367054 1110012959 /nfs/dbraw/zinc/01/29/59/1110012959.db2.gz RMMNBIHRSURMJW-GOSISDBHSA-N 2 2 344.503 2.527 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106317807 1111398530 /nfs/dbraw/zinc/39/85/30/1111398530.db2.gz VDBKHMPUUHHGEV-BXUZGUMPSA-N 2 2 332.835 2.613 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461794 1111557475 /nfs/dbraw/zinc/55/74/75/1111557475.db2.gz NNWOMUCVIVWBGD-QZTJIDSGSA-N 2 2 346.519 2.783 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491516 1111579322 /nfs/dbraw/zinc/57/93/22/1111579322.db2.gz ORDFMGAGZYMAIM-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491916 1111580402 /nfs/dbraw/zinc/58/04/02/1111580402.db2.gz XTJHHQUGGRKPOA-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412696 1112089585 /nfs/dbraw/zinc/08/95/85/1112089585.db2.gz RYWMVSHPAWLBAU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412696 1112089588 /nfs/dbraw/zinc/08/95/88/1112089588.db2.gz RYWMVSHPAWLBAU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412696 1112089592 /nfs/dbraw/zinc/08/95/92/1112089592.db2.gz RYWMVSHPAWLBAU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412696 1112089595 /nfs/dbraw/zinc/08/95/95/1112089595.db2.gz RYWMVSHPAWLBAU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440566 1112148589 /nfs/dbraw/zinc/14/85/89/1112148589.db2.gz BFAWVEYUMVZFCP-HNNXBMFYSA-N 2 2 338.883 2.551 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440566 1112148591 /nfs/dbraw/zinc/14/85/91/1112148591.db2.gz BFAWVEYUMVZFCP-HNNXBMFYSA-N 2 2 338.883 2.551 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441501 1112149084 /nfs/dbraw/zinc/14/90/84/1112149084.db2.gz HSJYXGIISHQMOJ-INIZCTEOSA-N 2 2 338.455 2.578 20 30 EFEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441501 1112149086 /nfs/dbraw/zinc/14/90/86/1112149086.db2.gz HSJYXGIISHQMOJ-INIZCTEOSA-N 2 2 338.455 2.578 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652695 1112513564 /nfs/dbraw/zinc/51/35/64/1112513564.db2.gz KAWRFFOLZIZWBU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652695 1112513567 /nfs/dbraw/zinc/51/35/67/1112513567.db2.gz KAWRFFOLZIZWBU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652695 1112513570 /nfs/dbraw/zinc/51/35/70/1112513570.db2.gz KAWRFFOLZIZWBU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652695 1112513572 /nfs/dbraw/zinc/51/35/72/1112513572.db2.gz KAWRFFOLZIZWBU-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089659296 1112591183 /nfs/dbraw/zinc/59/11/83/1112591183.db2.gz WSJBPBBHASNUSJ-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089659296 1112591188 /nfs/dbraw/zinc/59/11/88/1112591188.db2.gz WSJBPBBHASNUSJ-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658760 1112599704 /nfs/dbraw/zinc/59/97/04/1112599704.db2.gz NEJZYABIWSYYOX-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658760 1112599706 /nfs/dbraw/zinc/59/97/06/1112599706.db2.gz NEJZYABIWSYYOX-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582335 1118991369 /nfs/dbraw/zinc/99/13/69/1118991369.db2.gz XVOZDGMIWFTXLF-DOMZBBRYSA-N 2 2 339.867 2.534 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582335 1118991372 /nfs/dbraw/zinc/99/13/72/1118991372.db2.gz XVOZDGMIWFTXLF-DOMZBBRYSA-N 2 2 339.867 2.534 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875571 1119766210 /nfs/dbraw/zinc/76/62/10/1119766210.db2.gz DTGHDUHETSWDRC-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875571 1119766212 /nfs/dbraw/zinc/76/62/12/1119766212.db2.gz DTGHDUHETSWDRC-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107075688 1120270886 /nfs/dbraw/zinc/27/08/86/1120270886.db2.gz AYXBEFFCDBFKHW-KZNAEPCWSA-N 2 2 332.492 2.702 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000181706779 234294191 /nfs/dbraw/zinc/29/41/91/234294191.db2.gz HRUUWYSCHVWSQZ-QFIPXVFZSA-N 2 2 349.478 2.716 20 30 EFEDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859759 234355844 /nfs/dbraw/zinc/35/58/44/234355844.db2.gz VSURJESLWGEGBG-SFTDATJTSA-N 3 2 340.515 2.985 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CSCCS3)CC2)cc1 ZINC000181874652 234362609 /nfs/dbraw/zinc/36/26/09/234362609.db2.gz YYBZRVGIMLURSV-GOSISDBHSA-N 2 2 347.553 2.961 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3CCO)CC2)cc1 ZINC000188017480 236386839 /nfs/dbraw/zinc/38/68/39/236386839.db2.gz HLDFOTAVNKCKIC-UYAOXDASSA-N 2 2 327.472 2.663 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245764139 240262399 /nfs/dbraw/zinc/26/23/99/240262399.db2.gz QJSPVWLQIFHHKS-HKUYNNGSSA-N 2 2 343.471 2.522 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245764139 240262408 /nfs/dbraw/zinc/26/24/08/240262408.db2.gz QJSPVWLQIFHHKS-HKUYNNGSSA-N 2 2 343.471 2.522 20 30 EFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H](C)Cc1ccc(C)s1 ZINC000261827976 240325820 /nfs/dbraw/zinc/32/58/20/240325820.db2.gz VEXLUSGYACRPOB-CYBMUJFWSA-N 2 2 345.516 2.886 20 30 EFEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N1CCSC(C)(C)C1 ZINC000261924051 240329074 /nfs/dbraw/zinc/32/90/74/240329074.db2.gz KUOXGFOQSDDLNX-CQSZACIVSA-N 2 2 340.562 2.754 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000261993880 240338078 /nfs/dbraw/zinc/33/80/78/240338078.db2.gz NECVWNNIMNKQAY-ZDUSSCGKSA-N 2 2 344.484 2.930 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000261993880 240338090 /nfs/dbraw/zinc/33/80/90/240338090.db2.gz NECVWNNIMNKQAY-ZDUSSCGKSA-N 2 2 344.484 2.930 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000261993100 240338294 /nfs/dbraw/zinc/33/82/94/240338294.db2.gz MXIYYUQPRPKUQB-CYBMUJFWSA-N 2 2 344.484 2.930 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000261993100 240338305 /nfs/dbraw/zinc/33/83/05/240338305.db2.gz MXIYYUQPRPKUQB-CYBMUJFWSA-N 2 2 344.484 2.930 20 30 EFEDLP C[NH+]=C(NCc1sccc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262005899 240338514 /nfs/dbraw/zinc/33/85/14/240338514.db2.gz VOZOLKXRXYMHSO-HIFRSBDPSA-N 2 2 331.489 2.912 20 30 EFEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000261997236 240340182 /nfs/dbraw/zinc/34/01/82/240340182.db2.gz OBFXNBHHCFCNGE-UHFFFAOYSA-N 2 2 326.448 2.703 20 30 EFEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N1CCSC(C)(C)C1 ZINC000262023355 240342412 /nfs/dbraw/zinc/34/24/12/240342412.db2.gz WIIZXZNHGKGCRC-CYBMUJFWSA-N 2 2 340.562 2.754 20 30 EFEDLP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)([NH+](C)C)C1 ZINC000328885730 241261819 /nfs/dbraw/zinc/26/18/19/241261819.db2.gz ZHOMTSNKNBYGMC-MDZRGWNJSA-N 2 2 347.507 2.634 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000328636134 241210644 /nfs/dbraw/zinc/21/06/44/241210644.db2.gz AAJUYBZJYGRLGV-LSDHHAIUSA-N 2 2 342.447 2.586 20 30 EFEDLP CCC[NH+]1CCC([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000328645069 241212483 /nfs/dbraw/zinc/21/24/83/241212483.db2.gz GGGNLQLJLDNUQR-QGZVFWFLSA-N 2 2 331.460 2.931 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329200637 241323076 /nfs/dbraw/zinc/32/30/76/241323076.db2.gz VKIRVRZCIHCILX-UHOFOFEASA-N 2 2 344.463 2.793 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329200637 241323080 /nfs/dbraw/zinc/32/30/80/241323080.db2.gz VKIRVRZCIHCILX-UHOFOFEASA-N 2 2 344.463 2.793 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329200635 241325217 /nfs/dbraw/zinc/32/52/17/241325217.db2.gz VKIRVRZCIHCILX-RCBQFDQVSA-N 2 2 344.463 2.793 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329200635 241325226 /nfs/dbraw/zinc/32/52/26/241325226.db2.gz VKIRVRZCIHCILX-RCBQFDQVSA-N 2 2 344.463 2.793 20 30 EFEDLP Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000329302486 241345225 /nfs/dbraw/zinc/34/52/25/241345225.db2.gz WKYVGCJGEFUVPE-INIZCTEOSA-N 2 2 347.507 2.692 20 30 EFEDLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330104398 241486206 /nfs/dbraw/zinc/48/62/06/241486206.db2.gz HMPIQUDBDPVKTH-OAHLLOKOSA-N 2 2 345.491 2.910 20 30 EFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(C)C ZINC000414301231 244080708 /nfs/dbraw/zinc/08/07/08/244080708.db2.gz SRTBLRPWXJLKDK-VQTJNVASSA-N 2 2 329.488 2.908 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c(C#N)c1C ZINC000111244654 220121521 /nfs/dbraw/zinc/12/15/21/220121521.db2.gz DFZSFEPUDHVLJV-CYBMUJFWSA-N 2 2 341.415 2.629 20 30 EFEDLP C=CCCC1(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000422026520 246224862 /nfs/dbraw/zinc/22/48/62/246224862.db2.gz UXISCJFYVZJCLN-UHFFFAOYSA-N 2 2 333.520 2.751 20 30 EFEDLP C=CCCC1(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000422026520 246224869 /nfs/dbraw/zinc/22/48/69/246224869.db2.gz UXISCJFYVZJCLN-UHFFFAOYSA-N 2 2 333.520 2.751 20 30 EFEDLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424145657 246682553 /nfs/dbraw/zinc/68/25/53/246682553.db2.gz NYMMODWXJIHFHT-YOEHRIQHSA-N 2 2 348.878 2.566 20 30 EFEDLP N#C[C@H]1CC[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708339 250103756 /nfs/dbraw/zinc/10/37/56/250103756.db2.gz FYQUBVVILRTBKB-LEWJYISDSA-N 2 2 340.515 2.866 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000442711218 250106283 /nfs/dbraw/zinc/10/62/83/250106283.db2.gz DSTPFTVISGBQBS-MOPGFXCFSA-N 2 2 326.488 2.789 20 30 EFEDLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000444004903 250246994 /nfs/dbraw/zinc/24/69/94/250246994.db2.gz SXKLKHYETISWCZ-OAQYLSRUSA-N 2 2 335.451 2.593 20 30 EFEDLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000444004903 250246996 /nfs/dbraw/zinc/24/69/96/250246996.db2.gz SXKLKHYETISWCZ-OAQYLSRUSA-N 2 2 335.451 2.593 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000267168986 250794860 /nfs/dbraw/zinc/79/48/60/250794860.db2.gz HPTKNGAEFHKHMU-LPHOPBHVSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000267168986 250794865 /nfs/dbraw/zinc/79/48/65/250794865.db2.gz HPTKNGAEFHKHMU-LPHOPBHVSA-N 2 2 341.480 2.592 20 30 EFEDLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000450246066 251312895 /nfs/dbraw/zinc/31/28/95/251312895.db2.gz ZTRJBEDBJJMNBM-OAQYLSRUSA-N 2 2 340.515 2.939 20 30 EFEDLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000450246066 251312898 /nfs/dbraw/zinc/31/28/98/251312898.db2.gz ZTRJBEDBJJMNBM-OAQYLSRUSA-N 2 2 340.515 2.939 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453300665 252030711 /nfs/dbraw/zinc/03/07/11/252030711.db2.gz ZCDVUMBCYQIOOR-ICSRJNTNSA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453300665 252030716 /nfs/dbraw/zinc/03/07/16/252030716.db2.gz ZCDVUMBCYQIOOR-ICSRJNTNSA-N 2 2 327.472 2.762 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000177124056 533067370 /nfs/dbraw/zinc/06/73/70/533067370.db2.gz XAGUUIDZJYOTJD-UHFFFAOYSA-N 2 2 341.842 2.917 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C#N)c1C ZINC000118868647 221198592 /nfs/dbraw/zinc/19/85/92/221198592.db2.gz QIJNYPGPXAMKBS-AWEZNQCLSA-N 2 2 346.475 2.759 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129789043 533366424 /nfs/dbraw/zinc/36/64/24/533366424.db2.gz OYNHPPAVCGCXSY-WBAXXEDZSA-N 2 2 338.411 2.552 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129789043 533366425 /nfs/dbraw/zinc/36/64/25/533366425.db2.gz OYNHPPAVCGCXSY-WBAXXEDZSA-N 2 2 338.411 2.552 20 30 EFEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000174280569 533657686 /nfs/dbraw/zinc/65/76/86/533657686.db2.gz JBUXILKEHZGDSY-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP C[C@@H]1[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@@H+]1C ZINC000346332693 142191014 /nfs/dbraw/zinc/19/10/14/142191014.db2.gz MGVUQSUGYLEDSN-OXQOHEQNSA-N 2 2 326.488 2.595 20 30 EFEDLP C[C@@H]1[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@H+]1C ZINC000346332693 142191015 /nfs/dbraw/zinc/19/10/15/142191015.db2.gz MGVUQSUGYLEDSN-OXQOHEQNSA-N 2 2 326.488 2.595 20 30 EFEDLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@@H](C)O1 ZINC000356144365 147159022 /nfs/dbraw/zinc/15/90/22/147159022.db2.gz YZGGLGHROBUTES-HUUCEWRRSA-N 2 2 348.516 2.726 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000356791069 147336443 /nfs/dbraw/zinc/33/64/43/147336443.db2.gz YILDJAIOCWPJQY-APWZRJJASA-N 2 2 327.472 2.927 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289337 149117268 /nfs/dbraw/zinc/11/72/68/149117268.db2.gz JJAMIYGWJXFCCE-SFTDATJTSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289337 149117271 /nfs/dbraw/zinc/11/72/71/149117271.db2.gz JJAMIYGWJXFCCE-SFTDATJTSA-N 3 2 338.499 2.739 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248190 151307749 /nfs/dbraw/zinc/30/77/49/151307749.db2.gz AKSUWCIBYMGSJS-DYESRHJHSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248190 151307751 /nfs/dbraw/zinc/30/77/51/151307751.db2.gz AKSUWCIBYMGSJS-DYESRHJHSA-N 2 2 334.467 2.996 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123594860 222303179 /nfs/dbraw/zinc/30/31/79/222303179.db2.gz FNCLPXJPGRMGFA-IBGZPJMESA-N 2 2 343.471 2.826 20 30 EFEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123595031 222303212 /nfs/dbraw/zinc/30/32/12/222303212.db2.gz FNCLPXJPGRMGFA-LJQANCHMSA-N 2 2 343.471 2.826 20 30 EFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874348 266155056 /nfs/dbraw/zinc/15/50/56/266155056.db2.gz SUUJLMQMPBBNTL-CJNGLKHVSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874348 266155061 /nfs/dbraw/zinc/15/50/61/266155061.db2.gz SUUJLMQMPBBNTL-CJNGLKHVSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874348 266155062 /nfs/dbraw/zinc/15/50/62/266155062.db2.gz SUUJLMQMPBBNTL-CJNGLKHVSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874348 266155066 /nfs/dbraw/zinc/15/50/66/266155066.db2.gz SUUJLMQMPBBNTL-CJNGLKHVSA-N 2 2 348.878 2.955 20 30 EFEDLP CCOC(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000276466707 266994479 /nfs/dbraw/zinc/99/44/79/266994479.db2.gz DBHHZLKWKITRKO-UHFFFAOYSA-N 2 2 345.487 2.901 20 30 EFEDLP C=CCN1CC[C@H]([NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)C1=O ZINC000281434918 273485862 /nfs/dbraw/zinc/48/58/62/273485862.db2.gz STFJZSBQIHQRCL-IBGZPJMESA-N 2 2 338.455 2.769 20 30 EFEDLP CC[NH+]=C(NCc1ccsc1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261961059 276096051 /nfs/dbraw/zinc/09/60/51/276096051.db2.gz KFMPPFSOIPSMEQ-HOCLYGCPSA-N 2 2 331.489 2.993 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)CC1 ZINC000296598936 277774957 /nfs/dbraw/zinc/77/49/57/277774957.db2.gz JPRVEQREVMULNW-INIZCTEOSA-N 2 2 345.491 2.553 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000328861483 279377064 /nfs/dbraw/zinc/37/70/64/279377064.db2.gz LTGIQRBUEQDERV-OAHLLOKOSA-N 2 2 345.491 2.530 20 30 EFEDLP N#Cc1c(F)cccc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193469712 279495724 /nfs/dbraw/zinc/49/57/24/279495724.db2.gz ZLHLXEFENPFALH-UHFFFAOYSA-N 2 2 330.451 2.695 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247106484 289342155 /nfs/dbraw/zinc/34/21/55/289342155.db2.gz ORSNEZHISPINTL-QZTJIDSGSA-N 2 2 346.519 2.668 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247106484 289342158 /nfs/dbraw/zinc/34/21/58/289342158.db2.gz ORSNEZHISPINTL-QZTJIDSGSA-N 2 2 346.519 2.668 20 30 EFEDLP CN1CC[NH+]=C1NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000262657106 290059758 /nfs/dbraw/zinc/05/97/58/290059758.db2.gz LWEYFTJSPGXUFQ-QGZVFWFLSA-N 2 2 340.496 2.739 20 30 EFEDLP CN1CC[NH+]=C1NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000262657106 290059760 /nfs/dbraw/zinc/05/97/60/290059760.db2.gz LWEYFTJSPGXUFQ-QGZVFWFLSA-N 2 2 340.496 2.739 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560043683 318525390 /nfs/dbraw/zinc/52/53/90/318525390.db2.gz KJKLMIMVGBMHEL-HNNXBMFYSA-N 2 2 349.438 2.857 20 30 EFEDLP Cc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C#N)c[nH+]1 ZINC000570956644 319529186 /nfs/dbraw/zinc/52/91/86/319529186.db2.gz CDEMJXFQTIJGTN-UHFFFAOYSA-N 2 2 336.439 2.769 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000576766407 320047338 /nfs/dbraw/zinc/04/73/38/320047338.db2.gz QQHVXMSWHGRZQB-WOJBJXKFSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000576766407 320047339 /nfs/dbraw/zinc/04/73/39/320047339.db2.gz QQHVXMSWHGRZQB-WOJBJXKFSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000576766407 320047342 /nfs/dbraw/zinc/04/73/42/320047342.db2.gz QQHVXMSWHGRZQB-WOJBJXKFSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000576766407 320047343 /nfs/dbraw/zinc/04/73/43/320047343.db2.gz QQHVXMSWHGRZQB-WOJBJXKFSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000577469291 320113075 /nfs/dbraw/zinc/11/30/75/320113075.db2.gz VHFZTBPHQJQGSQ-UHFFFAOYSA-N 2 2 348.454 2.635 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000577469291 320113077 /nfs/dbraw/zinc/11/30/77/320113077.db2.gz VHFZTBPHQJQGSQ-UHFFFAOYSA-N 2 2 348.454 2.635 20 30 EFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000176950684 473274894 /nfs/dbraw/zinc/27/48/94/473274894.db2.gz AJLMBDHSKGYJPA-UHFFFAOYSA-N 2 2 327.453 2.742 20 30 EFEDLP [NH2+]=C(NCCCc1[nH]c2ccccc2[nH+]1)N[C@H]1CCOc2ccccc21 ZINC000083032069 473315969 /nfs/dbraw/zinc/31/59/69/473315969.db2.gz SDNCZBNWFWFATI-HNNXBMFYSA-N 2 2 349.438 2.924 20 30 EFEDLP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000185190532 473356730 /nfs/dbraw/zinc/35/67/30/473356730.db2.gz QFQDOODNIKCECV-LJQANCHMSA-N 2 2 329.488 2.909 20 30 EFEDLP NC(=[NH+]OCCCCCCO)c1cccc(C[NH+]2CCCCC2)c1 ZINC000084363208 472171254 /nfs/dbraw/zinc/17/12/54/472171254.db2.gz BMLCQIOLWQNRMD-UHFFFAOYSA-N 2 2 333.476 2.862 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109965 472273277 /nfs/dbraw/zinc/27/32/77/472273277.db2.gz ODVKOKJNUNAFGJ-HXUWFJFHSA-N 2 2 343.515 2.865 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109965 472273280 /nfs/dbraw/zinc/27/32/80/472273280.db2.gz ODVKOKJNUNAFGJ-HXUWFJFHSA-N 2 2 343.515 2.865 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109965 472273286 /nfs/dbraw/zinc/27/32/86/472273286.db2.gz ODVKOKJNUNAFGJ-HXUWFJFHSA-N 2 2 343.515 2.865 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109965 472273292 /nfs/dbraw/zinc/27/32/92/472273292.db2.gz ODVKOKJNUNAFGJ-HXUWFJFHSA-N 2 2 343.515 2.865 20 30 EFEDLP C=CC[NH+](CC=C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000076649243 472380742 /nfs/dbraw/zinc/38/07/42/472380742.db2.gz BAHJNEMKIMGNFN-UHFFFAOYSA-N 2 2 341.499 2.750 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000106340949 472842727 /nfs/dbraw/zinc/84/27/27/472842727.db2.gz IVJUXQJQQYWPEJ-UHFFFAOYSA-N 2 2 345.491 2.613 20 30 EFEDLP C=CCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092078698 472854905 /nfs/dbraw/zinc/85/49/05/472854905.db2.gz KWNFCNLCZIFTIV-KRWDZBQOSA-N 2 2 330.472 2.937 20 30 EFEDLP C=CCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092078698 472854913 /nfs/dbraw/zinc/85/49/13/472854913.db2.gz KWNFCNLCZIFTIV-KRWDZBQOSA-N 2 2 330.472 2.937 20 30 EFEDLP Cc1nnc([C@@H](C)O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000122226973 472989895 /nfs/dbraw/zinc/98/98/95/472989895.db2.gz FQDMTNYXYGXHHK-CYBMUJFWSA-N 2 2 343.431 2.762 20 30 EFEDLP Cc1cc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000122225346 472990009 /nfs/dbraw/zinc/99/00/09/472990009.db2.gz OWJCGHNLUWILBP-UHFFFAOYSA-N 2 2 328.416 2.806 20 30 EFEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017532 473028885 /nfs/dbraw/zinc/02/88/85/473028885.db2.gz IRGCLOAGXAQNAB-GOSISDBHSA-N 2 2 330.472 2.796 20 30 EFEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017532 473028890 /nfs/dbraw/zinc/02/88/90/473028890.db2.gz IRGCLOAGXAQNAB-GOSISDBHSA-N 2 2 330.472 2.796 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959373 473112090 /nfs/dbraw/zinc/11/20/90/473112090.db2.gz XSKRHTFCVIFGLZ-ZDUSSCGKSA-N 2 2 343.818 2.753 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959373 473112099 /nfs/dbraw/zinc/11/20/99/473112099.db2.gz XSKRHTFCVIFGLZ-ZDUSSCGKSA-N 2 2 343.818 2.753 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961852 473114313 /nfs/dbraw/zinc/11/43/13/473114313.db2.gz RVVLDGPOXJHVHR-HNNXBMFYSA-N 2 2 334.383 2.711 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961852 473114321 /nfs/dbraw/zinc/11/43/21/473114321.db2.gz RVVLDGPOXJHVHR-HNNXBMFYSA-N 2 2 334.383 2.711 20 30 EFEDLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000125492319 473418100 /nfs/dbraw/zinc/41/81/00/473418100.db2.gz WZIQVFBICZELGS-UHFFFAOYSA-N 2 2 341.434 2.805 20 30 EFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N(C)Cc1ccc(C)cc1 ZINC000114084809 473439935 /nfs/dbraw/zinc/43/99/35/473439935.db2.gz GUYHFGVMDFYPOI-UHFFFAOYSA-N 2 2 348.454 2.783 20 30 EFEDLP C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728294 473499195 /nfs/dbraw/zinc/49/91/95/473499195.db2.gz DBUOUNXCRQAKSH-DZGCQCFKSA-N 2 2 346.500 2.801 20 30 EFEDLP C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728294 473499199 /nfs/dbraw/zinc/49/91/99/473499199.db2.gz DBUOUNXCRQAKSH-DZGCQCFKSA-N 2 2 346.500 2.801 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000185799858 473517640 /nfs/dbraw/zinc/51/76/40/473517640.db2.gz BSBLEHJAEDHMNK-PKOBYXMFSA-N 2 2 343.471 2.570 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000185801160 473517856 /nfs/dbraw/zinc/51/78/56/473517856.db2.gz NNOMOFKRTTWLHM-PKOBYXMFSA-N 2 2 343.471 2.570 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCCCC#N ZINC000179637843 473700239 /nfs/dbraw/zinc/70/02/39/473700239.db2.gz FILHOZRPMQKKIS-QGZVFWFLSA-N 2 2 331.460 2.761 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCCCC#N ZINC000179637843 473700247 /nfs/dbraw/zinc/70/02/47/473700247.db2.gz FILHOZRPMQKKIS-QGZVFWFLSA-N 2 2 331.460 2.761 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446764 473702320 /nfs/dbraw/zinc/70/23/20/473702320.db2.gz LLFDMOUCFAUWDS-MAUKXSAKSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446764 473702327 /nfs/dbraw/zinc/70/23/27/473702327.db2.gz LLFDMOUCFAUWDS-MAUKXSAKSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245446764 473702333 /nfs/dbraw/zinc/70/23/33/473702333.db2.gz LLFDMOUCFAUWDS-MAUKXSAKSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245446764 473702339 /nfs/dbraw/zinc/70/23/39/473702339.db2.gz LLFDMOUCFAUWDS-MAUKXSAKSA-N 2 2 328.460 2.691 20 30 EFEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000186680627 473724928 /nfs/dbraw/zinc/72/49/28/473724928.db2.gz CWWSXYNLLWZNPP-UHFFFAOYSA-N 2 2 333.863 2.756 20 30 EFEDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245756150 473745381 /nfs/dbraw/zinc/74/53/81/473745381.db2.gz ZKVAEGTWHXYBCY-CRAIPNDOSA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245756150 473745387 /nfs/dbraw/zinc/74/53/87/473745387.db2.gz ZKVAEGTWHXYBCY-CRAIPNDOSA-N 2 2 337.427 2.666 20 30 EFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000263650558 473791875 /nfs/dbraw/zinc/79/18/75/473791875.db2.gz DJJRNBMKHAHGBP-UHFFFAOYSA-N 2 2 342.830 2.809 20 30 EFEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000269456830 473816472 /nfs/dbraw/zinc/81/64/72/473816472.db2.gz XCGAQQZAKJPKBV-UHFFFAOYSA-N 2 2 339.414 2.819 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280421 473845951 /nfs/dbraw/zinc/84/59/51/473845951.db2.gz LFDIZTGHNPHICI-UYAOXDASSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280421 473845958 /nfs/dbraw/zinc/84/59/58/473845958.db2.gz LFDIZTGHNPHICI-UYAOXDASSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280421 473845961 /nfs/dbraw/zinc/84/59/61/473845961.db2.gz LFDIZTGHNPHICI-UYAOXDASSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280421 473845968 /nfs/dbraw/zinc/84/59/68/473845968.db2.gz LFDIZTGHNPHICI-UYAOXDASSA-N 2 2 349.482 2.875 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286076 473845999 /nfs/dbraw/zinc/84/59/99/473845999.db2.gz HAADMFQAQLVYPZ-KDOFPFPSSA-N 2 2 335.455 2.674 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286076 473846006 /nfs/dbraw/zinc/84/60/06/473846006.db2.gz HAADMFQAQLVYPZ-KDOFPFPSSA-N 2 2 335.455 2.674 20 30 EFEDLP COc1ccc([C@H](CNC(=[NH2+])NC2CCCCC2)[NH+](C)C)cc1OC ZINC000264142250 473953584 /nfs/dbraw/zinc/95/35/84/473953584.db2.gz WWHRFIIRPVEMSC-INIZCTEOSA-N 2 2 348.491 2.544 20 30 EFEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349865 474033322 /nfs/dbraw/zinc/03/33/22/474033322.db2.gz AKYQRGXXPOVFTN-RTBURBONSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349865 474033325 /nfs/dbraw/zinc/03/33/25/474033325.db2.gz AKYQRGXXPOVFTN-RTBURBONSA-N 2 2 341.499 2.664 20 30 EFEDLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181426920 474035270 /nfs/dbraw/zinc/03/52/70/474035270.db2.gz IXGSBMGTOSMJGN-ZACQAIPSSA-N 2 2 331.460 2.739 20 30 EFEDLP COCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182034697 474086267 /nfs/dbraw/zinc/08/62/67/474086267.db2.gz KEYGMWNLTAJYTP-UHFFFAOYSA-N 2 2 327.472 2.929 20 30 EFEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000265342288 474181793 /nfs/dbraw/zinc/18/17/93/474181793.db2.gz IWNBYJKBDRFAGW-UHFFFAOYSA-N 2 2 333.439 2.856 20 30 EFEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cccc2[nH+]ccn21 ZINC000289382041 474247635 /nfs/dbraw/zinc/24/76/35/474247635.db2.gz BXVIESUENZEIPE-UHFFFAOYSA-N 2 2 333.439 2.770 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248124326 474262655 /nfs/dbraw/zinc/26/26/55/474262655.db2.gz NSXWBZJWZZDNAQ-HNAYVOBHSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248124326 474262658 /nfs/dbraw/zinc/26/26/58/474262658.db2.gz NSXWBZJWZZDNAQ-HNAYVOBHSA-N 2 2 333.451 2.924 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186791 474279803 /nfs/dbraw/zinc/27/98/03/474279803.db2.gz XNFGXWJNYCPUMA-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186791 474279812 /nfs/dbraw/zinc/27/98/12/474279812.db2.gz XNFGXWJNYCPUMA-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186791 474279818 /nfs/dbraw/zinc/27/98/18/474279818.db2.gz XNFGXWJNYCPUMA-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186791 474279827 /nfs/dbraw/zinc/27/98/27/474279827.db2.gz XNFGXWJNYCPUMA-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186788 474280220 /nfs/dbraw/zinc/28/02/20/474280220.db2.gz XNFGXWJNYCPUMA-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186788 474280223 /nfs/dbraw/zinc/28/02/23/474280223.db2.gz XNFGXWJNYCPUMA-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186788 474280229 /nfs/dbraw/zinc/28/02/29/474280229.db2.gz XNFGXWJNYCPUMA-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@H]21 ZINC000248186788 474280233 /nfs/dbraw/zinc/28/02/33/474280233.db2.gz XNFGXWJNYCPUMA-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP NC(=[NH+]OCCOCC(F)F)c1ccccc1C[NH+]1CCCCC1 ZINC000189260484 474339499 /nfs/dbraw/zinc/33/94/99/474339499.db2.gz YLABQHSVDUNNBA-UHFFFAOYSA-N 2 2 341.402 2.591 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000265884879 474373987 /nfs/dbraw/zinc/37/39/87/474373987.db2.gz PMBNFDKVUARHFR-SFTDATJTSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000265884879 474373994 /nfs/dbraw/zinc/37/39/94/474373994.db2.gz PMBNFDKVUARHFR-SFTDATJTSA-N 2 2 335.451 2.531 20 30 EFEDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864098 474597157 /nfs/dbraw/zinc/59/71/57/474597157.db2.gz USLDNLGAVVYKDA-IERDGZPVSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864098 474597164 /nfs/dbraw/zinc/59/71/64/474597164.db2.gz USLDNLGAVVYKDA-IERDGZPVSA-N 2 2 335.451 2.628 20 30 EFEDLP Cc1ncsc1C[NH+](C)CC#CC[N@@H+](C)Cc1scnc1C ZINC000284264087 474606952 /nfs/dbraw/zinc/60/69/52/474606952.db2.gz XBQUWVNKDNYCSH-UHFFFAOYSA-N 2 2 334.514 2.784 20 30 EFEDLP Cc1ncsc1C[NH+](C)CC#CC[N@H+](C)Cc1scnc1C ZINC000284264087 474606955 /nfs/dbraw/zinc/60/69/55/474606955.db2.gz XBQUWVNKDNYCSH-UHFFFAOYSA-N 2 2 334.514 2.784 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000267168987 474607333 /nfs/dbraw/zinc/60/73/33/474607333.db2.gz HPTKNGAEFHKHMU-QFBILLFUSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000267168987 474607336 /nfs/dbraw/zinc/60/73/36/474607336.db2.gz HPTKNGAEFHKHMU-QFBILLFUSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168989 474607797 /nfs/dbraw/zinc/60/77/97/474607797.db2.gz HPTKNGAEFHKHMU-VQIMIIECSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168989 474607802 /nfs/dbraw/zinc/60/78/02/474607802.db2.gz HPTKNGAEFHKHMU-VQIMIIECSA-N 2 2 341.480 2.592 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589051 474619606 /nfs/dbraw/zinc/61/96/06/474619606.db2.gz HQGWKMGUVJAWGK-ROUUACIJSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589051 474619612 /nfs/dbraw/zinc/61/96/12/474619612.db2.gz HQGWKMGUVJAWGK-ROUUACIJSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589051 474619617 /nfs/dbraw/zinc/61/96/17/474619617.db2.gz HQGWKMGUVJAWGK-ROUUACIJSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589051 474619622 /nfs/dbraw/zinc/61/96/22/474619622.db2.gz HQGWKMGUVJAWGK-ROUUACIJSA-N 2 2 343.471 2.904 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252480981 474665152 /nfs/dbraw/zinc/66/51/52/474665152.db2.gz HIICQWGODDMGKO-NVXWUHKLSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252480981 474665156 /nfs/dbraw/zinc/66/51/56/474665156.db2.gz HIICQWGODDMGKO-NVXWUHKLSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000252480981 474665161 /nfs/dbraw/zinc/66/51/61/474665161.db2.gz HIICQWGODDMGKO-NVXWUHKLSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000252480981 474665169 /nfs/dbraw/zinc/66/51/69/474665169.db2.gz HIICQWGODDMGKO-NVXWUHKLSA-N 2 2 328.460 2.691 20 30 EFEDLP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305783184 474780622 /nfs/dbraw/zinc/78/06/22/474780622.db2.gz QBXYBQXZGANKPJ-OXQOHEQNSA-N 2 2 329.488 2.909 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900773 474903146 /nfs/dbraw/zinc/90/31/46/474903146.db2.gz ZHXHWJMJVNHFEB-MOPGFXCFSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900773 474903152 /nfs/dbraw/zinc/90/31/52/474903152.db2.gz ZHXHWJMJVNHFEB-MOPGFXCFSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101465 474926348 /nfs/dbraw/zinc/92/63/48/474926348.db2.gz AEIURZFDXYNSSP-QFHJOOASSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[N@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101465 474926358 /nfs/dbraw/zinc/92/63/58/474926358.db2.gz AEIURZFDXYNSSP-QFHJOOASSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101465 474926366 /nfs/dbraw/zinc/92/63/66/474926366.db2.gz AEIURZFDXYNSSP-QFHJOOASSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101465 474926377 /nfs/dbraw/zinc/92/63/77/474926377.db2.gz AEIURZFDXYNSSP-QFHJOOASSA-N 2 2 329.492 2.817 20 30 EFEDLP C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285424265 475016299 /nfs/dbraw/zinc/01/62/99/475016299.db2.gz GYOKKEGIZSSKKD-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285424265 475016306 /nfs/dbraw/zinc/01/63/06/475016306.db2.gz GYOKKEGIZSSKKD-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285424265 475016317 /nfs/dbraw/zinc/01/63/17/475016317.db2.gz GYOKKEGIZSSKKD-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285424265 475016326 /nfs/dbraw/zinc/01/63/26/475016326.db2.gz GYOKKEGIZSSKKD-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881473 475056901 /nfs/dbraw/zinc/05/69/01/475056901.db2.gz WOULLYYAJBQXIK-SFHVURJKSA-N 2 2 336.480 2.607 20 30 EFEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881473 475056909 /nfs/dbraw/zinc/05/69/09/475056909.db2.gz WOULLYYAJBQXIK-SFHVURJKSA-N 2 2 336.480 2.607 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881473 475056918 /nfs/dbraw/zinc/05/69/18/475056918.db2.gz WOULLYYAJBQXIK-SFHVURJKSA-N 2 2 336.480 2.607 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881473 475056926 /nfs/dbraw/zinc/05/69/26/475056926.db2.gz WOULLYYAJBQXIK-SFHVURJKSA-N 2 2 336.480 2.607 20 30 EFEDLP Cc1cn2cc(NC(=O)N3CCCC34CC[NH+](C)CC4)ccc2[nH+]1 ZINC000329083723 475075013 /nfs/dbraw/zinc/07/50/13/475075013.db2.gz SXEXZUIOZZMONR-UHFFFAOYSA-N 2 2 327.432 2.748 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000295066109 475102258 /nfs/dbraw/zinc/10/22/58/475102258.db2.gz ROCILGKPNMYLMY-NSHDSACASA-N 2 2 328.229 2.589 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295123546 475106256 /nfs/dbraw/zinc/10/62/56/475106256.db2.gz YXNHIMWCUNMKFL-UHFFFAOYSA-N 3 2 333.907 2.849 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295123546 475106263 /nfs/dbraw/zinc/10/62/63/475106263.db2.gz YXNHIMWCUNMKFL-UHFFFAOYSA-N 3 2 333.907 2.849 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCC2CCOCC2)cc1 ZINC000281191648 475109028 /nfs/dbraw/zinc/10/90/28/475109028.db2.gz BUPAGJDEXMZGKE-UHFFFAOYSA-N 2 2 333.476 2.982 20 30 EFEDLP COc1ccncc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292617505 475117380 /nfs/dbraw/zinc/11/73/80/475117380.db2.gz INIHDCMCDGIOBM-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)on1 ZINC000329716029 475117818 /nfs/dbraw/zinc/11/78/18/475117818.db2.gz VWFOCZPNZWMNIY-INIZCTEOSA-N 2 2 334.464 2.949 20 30 EFEDLP Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)on1 ZINC000329716029 475117825 /nfs/dbraw/zinc/11/78/25/475117825.db2.gz VWFOCZPNZWMNIY-INIZCTEOSA-N 2 2 334.464 2.949 20 30 EFEDLP C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329996443 475181506 /nfs/dbraw/zinc/18/15/06/475181506.db2.gz OXFRCKXREREVJD-LSDHHAIUSA-N 2 2 335.492 2.507 20 30 EFEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])Nc2cc(F)ccc2F)C[C@@H](C)O1 ZINC000262245066 475206680 /nfs/dbraw/zinc/20/66/80/475206680.db2.gz CHPCWXNRTNHNTI-VXGBXAGGSA-N 2 2 340.418 2.579 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000330275161 475221005 /nfs/dbraw/zinc/22/10/05/475221005.db2.gz LCQUHUPZDRUHTM-UXLLHSPISA-N 2 2 345.491 2.969 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000330275161 475221012 /nfs/dbraw/zinc/22/10/12/475221012.db2.gz LCQUHUPZDRUHTM-UXLLHSPISA-N 2 2 345.491 2.969 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000330275160 475221794 /nfs/dbraw/zinc/22/17/94/475221794.db2.gz LCQUHUPZDRUHTM-INMHGKMJSA-N 2 2 345.491 2.969 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000330275160 475221798 /nfs/dbraw/zinc/22/17/98/475221798.db2.gz LCQUHUPZDRUHTM-INMHGKMJSA-N 2 2 345.491 2.969 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc[nH]c(=O)c1 ZINC000339456814 475225816 /nfs/dbraw/zinc/22/58/16/475225816.db2.gz XQJJKPUZHDAQNC-OAHLLOKOSA-N 2 2 336.439 2.974 20 30 EFEDLP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(C)(C)C ZINC000330790869 475277831 /nfs/dbraw/zinc/27/78/31/475277831.db2.gz CLQKILPUISVZDC-GJZGRUSLSA-N 2 2 335.496 2.870 20 30 EFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1C#N ZINC000352703165 475545574 /nfs/dbraw/zinc/54/55/74/475545574.db2.gz AYHZFHSOYRPIIQ-UHFFFAOYSA-N 2 2 348.494 2.808 20 30 EFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1C#N ZINC000352703165 475545578 /nfs/dbraw/zinc/54/55/78/475545578.db2.gz AYHZFHSOYRPIIQ-UHFFFAOYSA-N 2 2 348.494 2.808 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342080587 475552993 /nfs/dbraw/zinc/55/29/93/475552993.db2.gz GGVMIODHSKGZJJ-JYJNAYRXSA-N 2 2 345.512 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342080587 475552995 /nfs/dbraw/zinc/55/29/95/475552995.db2.gz GGVMIODHSKGZJJ-JYJNAYRXSA-N 2 2 345.512 2.962 20 30 EFEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348325292 475593643 /nfs/dbraw/zinc/59/36/43/475593643.db2.gz GKUONGNYIDTRSQ-GOSISDBHSA-N 2 2 343.862 2.727 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677481 475654597 /nfs/dbraw/zinc/65/45/97/475654597.db2.gz HGONOPZFVWLJCL-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677481 475654601 /nfs/dbraw/zinc/65/46/01/475654601.db2.gz HGONOPZFVWLJCL-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677481 475654606 /nfs/dbraw/zinc/65/46/06/475654606.db2.gz HGONOPZFVWLJCL-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677481 475654608 /nfs/dbraw/zinc/65/46/08/475654608.db2.gz HGONOPZFVWLJCL-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000346619530 475704696 /nfs/dbraw/zinc/70/46/96/475704696.db2.gz QRDSKZAXRDBMKY-MAUKXSAKSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000346619530 475704701 /nfs/dbraw/zinc/70/47/01/475704701.db2.gz QRDSKZAXRDBMKY-MAUKXSAKSA-N 2 2 333.451 2.924 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1 ZINC000353317082 475863030 /nfs/dbraw/zinc/86/30/30/475863030.db2.gz VETBFWGPVBQMME-UHFFFAOYSA-N 2 2 349.906 2.929 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1 ZINC000353317082 475863039 /nfs/dbraw/zinc/86/30/39/475863039.db2.gz VETBFWGPVBQMME-UHFFFAOYSA-N 2 2 349.906 2.929 20 30 EFEDLP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1Cl ZINC000353349388 475890402 /nfs/dbraw/zinc/89/04/02/475890402.db2.gz GFOANJFMIRLLIR-UHFFFAOYSA-N 2 2 338.879 2.793 20 30 EFEDLP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1Cl ZINC000353349388 475890407 /nfs/dbraw/zinc/89/04/07/475890407.db2.gz GFOANJFMIRLLIR-UHFFFAOYSA-N 2 2 338.879 2.793 20 30 EFEDLP C=CCOc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349333075 475946987 /nfs/dbraw/zinc/94/69/87/475946987.db2.gz PZRDYGQWKJBPBA-SFHVURJKSA-N 2 2 343.515 2.852 20 30 EFEDLP C=CCOc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349333075 475946993 /nfs/dbraw/zinc/94/69/93/475946993.db2.gz PZRDYGQWKJBPBA-SFHVURJKSA-N 2 2 343.515 2.852 20 30 EFEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000347107919 476097990 /nfs/dbraw/zinc/09/79/90/476097990.db2.gz MGJUWHSGSBUXBN-LLVKDONJSA-N 2 2 343.265 2.802 20 30 EFEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000347107919 476097994 /nfs/dbraw/zinc/09/79/94/476097994.db2.gz MGJUWHSGSBUXBN-LLVKDONJSA-N 2 2 343.265 2.802 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343810400 476115742 /nfs/dbraw/zinc/11/57/42/476115742.db2.gz CLWPZOACMFOTGX-DLBZAZTESA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343810400 476115748 /nfs/dbraw/zinc/11/57/48/476115748.db2.gz CLWPZOACMFOTGX-DLBZAZTESA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343810405 476116358 /nfs/dbraw/zinc/11/63/58/476116358.db2.gz CLWPZOACMFOTGX-IRXDYDNUSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343810405 476116362 /nfs/dbraw/zinc/11/63/62/476116362.db2.gz CLWPZOACMFOTGX-IRXDYDNUSA-N 2 2 336.524 2.541 20 30 EFEDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000299166935 476138449 /nfs/dbraw/zinc/13/84/49/476138449.db2.gz OYDGEMHHJJWFAN-KKSFZXQISA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000299166935 476138456 /nfs/dbraw/zinc/13/84/56/476138456.db2.gz OYDGEMHHJJWFAN-KKSFZXQISA-N 2 2 335.451 2.628 20 30 EFEDLP N#CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000344191370 476167848 /nfs/dbraw/zinc/16/78/48/476167848.db2.gz UZEULAFYFGSKCY-GOSISDBHSA-N 2 2 335.455 2.790 20 30 EFEDLP N#CCCn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000344191370 476167852 /nfs/dbraw/zinc/16/78/52/476167852.db2.gz UZEULAFYFGSKCY-GOSISDBHSA-N 2 2 335.455 2.790 20 30 EFEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc(C#N)nn3)cc2)CC1 ZINC000301952085 476184014 /nfs/dbraw/zinc/18/40/14/476184014.db2.gz BYJIFBXBWZOQFF-UHFFFAOYSA-N 2 2 336.443 2.870 20 30 EFEDLP Cc1cccc(NCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000344328771 476254202 /nfs/dbraw/zinc/25/42/02/476254202.db2.gz MPMCRAYXFOSCRG-UHFFFAOYSA-N 2 2 349.482 2.928 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430800 476480635 /nfs/dbraw/zinc/48/06/35/476480635.db2.gz UMNBARIQABFWDZ-QRVBRYPASA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430800 476480641 /nfs/dbraw/zinc/48/06/41/476480641.db2.gz UMNBARIQABFWDZ-QRVBRYPASA-N 2 2 332.875 2.875 20 30 EFEDLP C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147396 476678938 /nfs/dbraw/zinc/67/89/38/476678938.db2.gz CEHMDJOUMFHIHU-FXAWDEMLSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147396 476678941 /nfs/dbraw/zinc/67/89/41/476678941.db2.gz CEHMDJOUMFHIHU-FXAWDEMLSA-N 2 2 345.918 2.649 20 30 EFEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370412612 476798938 /nfs/dbraw/zinc/79/89/38/476798938.db2.gz CBPZZFMZNRLZMI-UHFFFAOYSA-N 2 2 331.435 2.632 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430580070 476867280 /nfs/dbraw/zinc/86/72/80/476867280.db2.gz DGLYSHQJLGVFQW-CABCVRRESA-N 2 2 333.501 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430580070 476867287 /nfs/dbraw/zinc/86/72/87/476867287.db2.gz DGLYSHQJLGVFQW-CABCVRRESA-N 2 2 333.501 2.962 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000430824202 476922924 /nfs/dbraw/zinc/92/29/24/476922924.db2.gz POIMEPWUTXURAG-GOSISDBHSA-N 2 2 341.455 2.758 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423218986 476967528 /nfs/dbraw/zinc/96/75/28/476967528.db2.gz SWMJMEMSLXDMGV-VQIMIIECSA-N 3 2 326.488 2.500 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289367 477219262 /nfs/dbraw/zinc/21/92/62/477219262.db2.gz KHUZKHPVAMSYSX-CEXWTWQISA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289367 477219266 /nfs/dbraw/zinc/21/92/66/477219266.db2.gz KHUZKHPVAMSYSX-CEXWTWQISA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289368 477219840 /nfs/dbraw/zinc/21/98/40/477219840.db2.gz KHUZKHPVAMSYSX-GUDVDZBRSA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289368 477219848 /nfs/dbraw/zinc/21/98/48/477219848.db2.gz KHUZKHPVAMSYSX-GUDVDZBRSA-N 2 2 332.875 2.875 20 30 EFEDLP CCn1ccnc1C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691133 477351889 /nfs/dbraw/zinc/35/18/89/477351889.db2.gz DYQGBNUKBHEQQK-LJQANCHMSA-N 2 2 349.482 2.919 20 30 EFEDLP CCn1ccnc1C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691133 477351891 /nfs/dbraw/zinc/35/18/91/477351891.db2.gz DYQGBNUKBHEQQK-LJQANCHMSA-N 2 2 349.482 2.919 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212847 477489449 /nfs/dbraw/zinc/48/94/49/477489449.db2.gz VOBXLDSWNNDYKY-KAXARAQCSA-N 2 2 327.472 2.684 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212847 477489457 /nfs/dbraw/zinc/48/94/57/477489457.db2.gz VOBXLDSWNNDYKY-KAXARAQCSA-N 2 2 327.472 2.684 20 30 EFEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437096410 477670597 /nfs/dbraw/zinc/67/05/97/477670597.db2.gz LWQAALAPOACSSX-AGERRDQYSA-N 2 2 328.460 2.573 20 30 EFEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437096410 477670608 /nfs/dbraw/zinc/67/06/08/477670608.db2.gz LWQAALAPOACSSX-AGERRDQYSA-N 2 2 328.460 2.573 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nccc(C#N)c3Cl)CC2)CC1 ZINC000420631800 477763808 /nfs/dbraw/zinc/76/38/08/477763808.db2.gz VXHGAWZPUZLWPZ-UHFFFAOYSA-N 2 2 347.894 2.603 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nccc(C#N)c3Cl)CC2)CC1 ZINC000420631800 477763815 /nfs/dbraw/zinc/76/38/15/477763815.db2.gz VXHGAWZPUZLWPZ-UHFFFAOYSA-N 2 2 347.894 2.603 20 30 EFEDLP C=CCOCCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451025499 477795765 /nfs/dbraw/zinc/79/57/65/477795765.db2.gz JXSOKLHZMMZRJC-KRWDZBQOSA-N 2 2 331.460 2.728 20 30 EFEDLP C=CCOCCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451025499 477795772 /nfs/dbraw/zinc/79/57/72/477795772.db2.gz JXSOKLHZMMZRJC-KRWDZBQOSA-N 2 2 331.460 2.728 20 30 EFEDLP C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420005 477795834 /nfs/dbraw/zinc/79/58/34/477795834.db2.gz FRJGXOYTHUFOHW-AZUAARDMSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420005 477795839 /nfs/dbraw/zinc/79/58/39/477795839.db2.gz FRJGXOYTHUFOHW-AZUAARDMSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399365 477861755 /nfs/dbraw/zinc/86/17/55/477861755.db2.gz IWDOLZWFIYULAZ-CVEARBPZSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399365 477861762 /nfs/dbraw/zinc/86/17/62/477861762.db2.gz IWDOLZWFIYULAZ-CVEARBPZSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558399365 477861772 /nfs/dbraw/zinc/86/17/72/477861772.db2.gz IWDOLZWFIYULAZ-CVEARBPZSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000558399365 477861781 /nfs/dbraw/zinc/86/17/81/477861781.db2.gz IWDOLZWFIYULAZ-CVEARBPZSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399368 477861971 /nfs/dbraw/zinc/86/19/71/477861971.db2.gz IWDOLZWFIYULAZ-JKSUJKDBSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399368 477861979 /nfs/dbraw/zinc/86/19/79/477861979.db2.gz IWDOLZWFIYULAZ-JKSUJKDBSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558399368 477861987 /nfs/dbraw/zinc/86/19/87/477861987.db2.gz IWDOLZWFIYULAZ-JKSUJKDBSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000558399368 477861995 /nfs/dbraw/zinc/86/19/95/477861995.db2.gz IWDOLZWFIYULAZ-JKSUJKDBSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCC[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000438973766 477913654 /nfs/dbraw/zinc/91/36/54/477913654.db2.gz AMRJQZAOCFJGCB-FQEVSTJZSA-N 3 2 328.504 2.928 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC3(O)CCC3)CC2)cc1 ZINC000421381469 478064710 /nfs/dbraw/zinc/06/47/10/478064710.db2.gz WPIRERJBEFNRJE-UHFFFAOYSA-N 2 2 327.472 2.807 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440761734 478158693 /nfs/dbraw/zinc/15/86/93/478158693.db2.gz GVSQZUXKJPIVGN-QZTJIDSGSA-N 2 2 341.455 2.758 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440761734 478158698 /nfs/dbraw/zinc/15/86/98/478158698.db2.gz GVSQZUXKJPIVGN-QZTJIDSGSA-N 2 2 341.455 2.758 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495751632 478301241 /nfs/dbraw/zinc/30/12/41/478301241.db2.gz AUKVLCDVSSTXDL-CABCVRRESA-N 2 2 325.497 2.918 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000525690513 478395178 /nfs/dbraw/zinc/39/51/78/478395178.db2.gz IGNATEFOFITOIV-LBPRGKRZSA-N 2 2 346.500 2.509 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3CO)CC2)cc1 ZINC000539499834 478420134 /nfs/dbraw/zinc/42/01/34/478420134.db2.gz LHEOGCJTLKNCEM-UHFFFAOYSA-N 2 2 335.451 2.805 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349508 478422577 /nfs/dbraw/zinc/42/25/77/478422577.db2.gz IQHQYNADEWCJLH-LEDLJOFTSA-N 2 2 340.471 2.716 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349508 478422580 /nfs/dbraw/zinc/42/25/80/478422580.db2.gz IQHQYNADEWCJLH-LEDLJOFTSA-N 2 2 340.471 2.716 20 30 EFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594521374 478424583 /nfs/dbraw/zinc/42/45/83/478424583.db2.gz QIMDHWCSVBTRCY-ICSRJNTNSA-N 2 2 325.456 2.779 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCc3ccc(C#N)cc3)c2cc1C ZINC000594718865 478510362 /nfs/dbraw/zinc/51/03/62/478510362.db2.gz WOKFDTLPDOOVEG-LJQANCHMSA-N 2 2 348.450 2.718 20 30 EFEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000563545838 478583891 /nfs/dbraw/zinc/58/38/91/478583891.db2.gz SGFBDJDKROBODY-UHFFFAOYSA-N 2 2 343.862 2.700 20 30 EFEDLP C#CC[NH+]1CCC(c2nc(CCn3c(C)[nH+]c4ccccc43)no2)CC1 ZINC000491640065 478612689 /nfs/dbraw/zinc/61/26/89/478612689.db2.gz XTEVGMPONVLYBY-UHFFFAOYSA-N 2 2 349.438 2.783 20 30 EFEDLP C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(F)cc1 ZINC000491748308 478660685 /nfs/dbraw/zinc/66/06/85/478660685.db2.gz DOMYMEMNHGUCEY-SFHVURJKSA-N 2 2 332.419 2.507 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496783031 478693601 /nfs/dbraw/zinc/69/36/01/478693601.db2.gz YJXYSJAHFKVLHM-HNNXBMFYSA-N 2 2 325.497 2.920 20 30 EFEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCC#N)c1ccc(OC)cc1 ZINC000564813487 478818515 /nfs/dbraw/zinc/81/85/15/478818515.db2.gz UHEYFGQLFXQLLX-IEBWSBKVSA-N 2 2 331.460 2.740 20 30 EFEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCC#N)c1ccc(OC)cc1 ZINC000564813487 478818525 /nfs/dbraw/zinc/81/85/25/478818525.db2.gz UHEYFGQLFXQLLX-IEBWSBKVSA-N 2 2 331.460 2.740 20 30 EFEDLP COc1ccccc1[C@H](CNc1cc(C)[nH+]cc1C#N)[NH+]1CCCC1 ZINC000564877117 478842537 /nfs/dbraw/zinc/84/25/37/478842537.db2.gz URPMKOKUSIPTLP-IBGZPJMESA-N 2 2 336.439 2.941 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000595546981 478847153 /nfs/dbraw/zinc/84/71/53/478847153.db2.gz REBJVMPFXWEVQA-FQEVSTJZSA-N 2 2 326.488 2.743 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000595546981 478847156 /nfs/dbraw/zinc/84/71/56/478847156.db2.gz REBJVMPFXWEVQA-FQEVSTJZSA-N 2 2 326.488 2.743 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000595546982 478847596 /nfs/dbraw/zinc/84/75/96/478847596.db2.gz REBJVMPFXWEVQA-HXUWFJFHSA-N 2 2 326.488 2.743 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000595546982 478847603 /nfs/dbraw/zinc/84/76/03/478847603.db2.gz REBJVMPFXWEVQA-HXUWFJFHSA-N 2 2 326.488 2.743 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](CC#N)C3)c2cc1C ZINC000595617270 478890019 /nfs/dbraw/zinc/89/00/19/478890019.db2.gz XMFAUODQYTXTAX-IRXDYDNUSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](CC#N)C3)c2cc1C ZINC000595617270 478890024 /nfs/dbraw/zinc/89/00/24/478890024.db2.gz XMFAUODQYTXTAX-IRXDYDNUSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629939 478901373 /nfs/dbraw/zinc/90/13/73/478901373.db2.gz ARVCIKZCEHWDMI-UHFFFAOYSA-N 2 2 329.473 2.727 20 30 EFEDLP CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000598591547 478916596 /nfs/dbraw/zinc/91/65/96/478916596.db2.gz BLUAVNJLDFHSNP-SFHVURJKSA-N 2 2 344.503 2.921 20 30 EFEDLP CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000598591547 478916601 /nfs/dbraw/zinc/91/66/01/478916601.db2.gz BLUAVNJLDFHSNP-SFHVURJKSA-N 2 2 344.503 2.921 20 30 EFEDLP C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000598620942 478929550 /nfs/dbraw/zinc/92/95/50/478929550.db2.gz QEYVMQCEMQPHKP-CQSZACIVSA-N 2 2 335.414 2.636 20 30 EFEDLP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000598620942 478929556 /nfs/dbraw/zinc/92/95/56/478929556.db2.gz QEYVMQCEMQPHKP-CQSZACIVSA-N 2 2 335.414 2.636 20 30 EFEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCC1 ZINC000598727857 478994027 /nfs/dbraw/zinc/99/40/27/478994027.db2.gz KIAZLHAKGCGXOO-SFHVURJKSA-N 2 2 329.488 2.931 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCC1 ZINC000598727857 478994033 /nfs/dbraw/zinc/99/40/33/478994033.db2.gz KIAZLHAKGCGXOO-SFHVURJKSA-N 2 2 329.488 2.931 20 30 EFEDLP C=C(C)C[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000515177531 479128675 /nfs/dbraw/zinc/12/86/75/479128675.db2.gz IRZSSHKINYEEEW-IRXDYDNUSA-N 2 2 344.503 2.976 20 30 EFEDLP C=C(C)C[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000515177530 479128722 /nfs/dbraw/zinc/12/87/22/479128722.db2.gz IRZSSHKINYEEEW-IAGOWNOFSA-N 2 2 344.503 2.976 20 30 EFEDLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)C[C@@H](C)O1 ZINC000548788357 479129197 /nfs/dbraw/zinc/12/91/97/479129197.db2.gz NPZQDJBXTYTGDP-MBOZVWFJSA-N 2 2 340.471 2.829 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000584537700 479169282 /nfs/dbraw/zinc/16/92/82/479169282.db2.gz QUQSFSATVMABGI-CQSZACIVSA-N 2 2 332.354 2.883 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000584537700 479169287 /nfs/dbraw/zinc/16/92/87/479169287.db2.gz QUQSFSATVMABGI-CQSZACIVSA-N 2 2 332.354 2.883 20 30 EFEDLP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000556914333 479236996 /nfs/dbraw/zinc/23/69/96/479236996.db2.gz ZTTGVZZDNLENEU-HXUWFJFHSA-N 2 2 349.482 2.997 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602538699 479387686 /nfs/dbraw/zinc/38/76/86/479387686.db2.gz HGZBKTBYZPLMPW-UHFFFAOYSA-N 2 2 330.388 2.866 20 30 EFEDLP CC[N@H+](CCC[NH2+]Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000593661300 479415751 /nfs/dbraw/zinc/41/57/51/479415751.db2.gz XBRAGYGABOYZPJ-UHFFFAOYSA-N 2 2 340.475 2.735 20 30 EFEDLP CC[N@@H+](CCC[NH2+]Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000593661300 479415756 /nfs/dbraw/zinc/41/57/56/479415756.db2.gz XBRAGYGABOYZPJ-UHFFFAOYSA-N 2 2 340.475 2.735 20 30 EFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccn(C)n1 ZINC000593723679 479434943 /nfs/dbraw/zinc/43/49/43/479434943.db2.gz XVQSPKCJYSELJQ-IBGZPJMESA-N 2 2 337.471 2.997 20 30 EFEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccccn12)Cc1ccc(C#N)cc1 ZINC000589194488 479494856 /nfs/dbraw/zinc/49/48/56/479494856.db2.gz FPDPJLCGZYXWFX-UHFFFAOYSA-N 2 2 333.439 2.770 20 30 EFEDLP Cc1ccc(CCC[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c[nH+]1 ZINC000619425998 479785799 /nfs/dbraw/zinc/78/57/99/479785799.db2.gz AXBIZYSJMZDNJQ-UHFFFAOYSA-N 2 2 335.455 2.848 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630943140 479791743 /nfs/dbraw/zinc/79/17/43/479791743.db2.gz OCRRMZVGEOIMNT-UHFFFAOYSA-N 2 2 338.455 2.572 20 30 EFEDLP C=CCC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000641784712 481072874 /nfs/dbraw/zinc/07/28/74/481072874.db2.gz FAPDJWVVQBBPGZ-RBUKOAKNSA-N 2 2 347.503 2.673 20 30 EFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784331 481073505 /nfs/dbraw/zinc/07/35/05/481073505.db2.gz BVVFVTLCPKDQHJ-AABGKKOBSA-N 2 2 335.536 2.508 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000653620698 481368383 /nfs/dbraw/zinc/36/83/83/481368383.db2.gz VPKPNXMBTRAYRS-YLJYHZDGSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000653620698 481368374 /nfs/dbraw/zinc/36/83/74/481368374.db2.gz VPKPNXMBTRAYRS-YLJYHZDGSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665944509 482117513 /nfs/dbraw/zinc/11/75/13/482117513.db2.gz QNYAQSIASGAVLZ-QZTJIDSGSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665944509 482117517 /nfs/dbraw/zinc/11/75/17/482117517.db2.gz QNYAQSIASGAVLZ-QZTJIDSGSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370859 482200315 /nfs/dbraw/zinc/20/03/15/482200315.db2.gz TVRVMSIJGNBSNR-QGZVFWFLSA-N 2 2 348.535 2.591 20 30 EFEDLP C=CCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370859 482200322 /nfs/dbraw/zinc/20/03/22/482200322.db2.gz TVRVMSIJGNBSNR-QGZVFWFLSA-N 2 2 348.535 2.591 20 30 EFEDLP C=CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](C)COC ZINC000661242511 482387579 /nfs/dbraw/zinc/38/75/79/482387579.db2.gz BLYYGOYZHJXGTG-SJORKVTESA-N 2 2 331.460 2.537 20 30 EFEDLP C#CCOc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000048782378 518333908 /nfs/dbraw/zinc/33/39/08/518333908.db2.gz PGHRZQNVTDJPSC-UHFFFAOYSA-N 2 2 332.407 2.878 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245451936 524268299 /nfs/dbraw/zinc/26/82/99/524268299.db2.gz PYEPAXUZELXKMY-WMZOPIPTSA-N 2 2 340.471 2.693 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245451936 524268313 /nfs/dbraw/zinc/26/83/13/524268313.db2.gz PYEPAXUZELXKMY-WMZOPIPTSA-N 2 2 340.471 2.693 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000153966336 524658654 /nfs/dbraw/zinc/65/86/54/524658654.db2.gz UEOBJGURRWUHBL-HDICACEKSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000153966336 524658665 /nfs/dbraw/zinc/65/86/65/524658665.db2.gz UEOBJGURRWUHBL-HDICACEKSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000181534857 524736273 /nfs/dbraw/zinc/73/62/73/524736273.db2.gz RTQQTARAIMTCOD-SFHVURJKSA-N 3 2 340.515 2.844 20 30 EFEDLP Cc1nnc([C@@H](C)O[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)o1 ZINC000174131659 534872266 /nfs/dbraw/zinc/87/22/66/534872266.db2.gz YPDKQTFZOLAVML-CYBMUJFWSA-N 2 2 343.431 2.762 20 30 EFEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCc2ccccc21 ZINC000174049444 526412745 /nfs/dbraw/zinc/41/27/45/526412745.db2.gz AJWGMBPIWKOPKT-KRWDZBQOSA-N 2 2 347.466 2.772 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000177914593 526602497 /nfs/dbraw/zinc/60/24/97/526602497.db2.gz VVKCRZINLNPJER-UHFFFAOYSA-N 3 2 328.504 2.676 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951782 527205940 /nfs/dbraw/zinc/20/59/40/527205940.db2.gz LFDIZTGHNPHICI-ICSRJNTNSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951782 527205946 /nfs/dbraw/zinc/20/59/46/527205946.db2.gz LFDIZTGHNPHICI-ICSRJNTNSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951782 527205949 /nfs/dbraw/zinc/20/59/49/527205949.db2.gz LFDIZTGHNPHICI-ICSRJNTNSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951782 527205955 /nfs/dbraw/zinc/20/59/55/527205955.db2.gz LFDIZTGHNPHICI-ICSRJNTNSA-N 2 2 349.482 2.875 20 30 EFEDLP CC1(C)[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000181800773 527827936 /nfs/dbraw/zinc/82/79/36/527827936.db2.gz ZSGJYQPFKSKGQF-UFYCRDLUSA-N 2 2 339.483 2.926 20 30 EFEDLP CC[NH+]=C(NCc1ccc(C)nc1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160095865 528817614 /nfs/dbraw/zinc/81/76/14/528817614.db2.gz FSBIKQWDBDGVDY-QAPCUYQASA-N 2 2 340.475 2.635 20 30 EFEDLP CC[NH+]=C(NCC1CCSCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261966167 535260870 /nfs/dbraw/zinc/26/08/70/535260870.db2.gz LKSCVQYTZJSXOP-RDJZCZTQSA-N 2 2 349.548 2.875 20 30 EFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@](C)(CC)C1 ZINC000261739375 535262033 /nfs/dbraw/zinc/26/20/33/535262033.db2.gz KJVSZSUFLMGHSU-IBGZPJMESA-N 2 2 331.508 2.849 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351689425 536358108 /nfs/dbraw/zinc/35/81/08/536358108.db2.gz AGPHELXISNRQBD-KRWDZBQOSA-N 2 2 330.451 2.694 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351689425 536358113 /nfs/dbraw/zinc/35/81/13/536358113.db2.gz AGPHELXISNRQBD-KRWDZBQOSA-N 2 2 330.451 2.694 20 30 EFEDLP Cc1nsc(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)c1C#N ZINC000291694171 538861215 /nfs/dbraw/zinc/86/12/15/538861215.db2.gz YJUWYHGTRPYOTD-UHFFFAOYSA-N 2 2 341.484 2.781 20 30 EFEDLP C=CCN(CC=C)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655688411 546533934 /nfs/dbraw/zinc/53/39/34/546533934.db2.gz ZYYKKIKMUJAHBN-UXHICEINSA-N 2 2 335.536 2.528 20 30 EFEDLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758238043 575864275 /nfs/dbraw/zinc/86/42/75/575864275.db2.gz IWKUQJLTIRLXEW-QGZVFWFLSA-N 2 2 342.487 2.654 20 30 EFEDLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758238043 575864276 /nfs/dbraw/zinc/86/42/76/575864276.db2.gz IWKUQJLTIRLXEW-QGZVFWFLSA-N 2 2 342.487 2.654 20 30 EFEDLP CC[N@H+](CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1)CC1CC1 ZINC000758248223 575864747 /nfs/dbraw/zinc/86/47/47/575864747.db2.gz LRJAQSFNBVREQS-UHFFFAOYSA-N 2 2 342.487 2.511 20 30 EFEDLP CC[N@@H+](CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1)CC1CC1 ZINC000758248223 575864748 /nfs/dbraw/zinc/86/47/48/575864748.db2.gz LRJAQSFNBVREQS-UHFFFAOYSA-N 2 2 342.487 2.511 20 30 EFEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]NCC(F)(F)F)CC1 ZINC000769810885 577387151 /nfs/dbraw/zinc/38/71/51/577387151.db2.gz RKUQZEQZDUZZSF-UHFFFAOYSA-N 2 2 334.773 2.578 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ncccc3Cl)cc2)CC1 ZINC000771562179 581222931 /nfs/dbraw/zinc/22/29/31/581222931.db2.gz DCHKXLRLOOAXGB-UHFFFAOYSA-N 2 2 329.835 2.933 20 30 EFEDLP Cc1cc(C[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)ccc1C#N ZINC000774839317 581502119 /nfs/dbraw/zinc/50/21/19/581502119.db2.gz DIUIQPNQYZVHNV-UHFFFAOYSA-N 2 2 328.485 2.866 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107623026 1256310681 /nfs/dbraw/zinc/31/06/81/1256310681.db2.gz NMWGQKDPEHQMGC-UYAOXDASSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107623026 1256310687 /nfs/dbraw/zinc/31/06/87/1256310687.db2.gz NMWGQKDPEHQMGC-UYAOXDASSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997642147 1258149175 /nfs/dbraw/zinc/14/91/75/1258149175.db2.gz NVYHDPFZSOHPMD-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997642144 1258149194 /nfs/dbraw/zinc/14/91/94/1258149194.db2.gz NVYHDPFZSOHPMD-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001004188582 1266180258 /nfs/dbraw/zinc/18/02/58/1266180258.db2.gz IHKPDFPKKDANQV-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001004188582 1266180265 /nfs/dbraw/zinc/18/02/65/1266180265.db2.gz IHKPDFPKKDANQV-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000998006765 1258937969 /nfs/dbraw/zinc/93/79/69/1258937969.db2.gz MCJGWRZDHMSFDB-SFHVURJKSA-N 2 2 338.455 2.593 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000998006765 1258937972 /nfs/dbraw/zinc/93/79/72/1258937972.db2.gz MCJGWRZDHMSFDB-SFHVURJKSA-N 2 2 338.455 2.593 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117885 1259128233 /nfs/dbraw/zinc/12/82/33/1259128233.db2.gz UPZPHKIVWYPPKY-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117885 1259128237 /nfs/dbraw/zinc/12/82/37/1259128237.db2.gz UPZPHKIVWYPPKY-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032812384 1262042398 /nfs/dbraw/zinc/04/23/98/1262042398.db2.gz AXVOMIIMHAVLKD-HOTGVXAUSA-N 2 2 331.460 2.596 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032812384 1262042402 /nfs/dbraw/zinc/04/24/02/1262042402.db2.gz AXVOMIIMHAVLKD-HOTGVXAUSA-N 2 2 331.460 2.596 20 30 EFEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001078688571 1262209189 /nfs/dbraw/zinc/20/91/89/1262209189.db2.gz RRJYGYVABPPEPU-QZTJIDSGSA-N 2 2 336.439 2.689 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185398 1262765481 /nfs/dbraw/zinc/76/54/81/1262765481.db2.gz AQWFLXYEPZINAL-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185398 1262765486 /nfs/dbraw/zinc/76/54/86/1262765486.db2.gz AQWFLXYEPZINAL-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001006233677 1266443938 /nfs/dbraw/zinc/44/39/38/1266443938.db2.gz YQDHTKOVKZFWSY-UHFFFAOYSA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424348 1266968700 /nfs/dbraw/zinc/96/87/00/1266968700.db2.gz HPWNSTQEQQHILI-QGZVFWFLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424348 1266968708 /nfs/dbraw/zinc/96/87/08/1266968708.db2.gz HPWNSTQEQQHILI-QGZVFWFLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004471669 1267117312 /nfs/dbraw/zinc/11/73/12/1267117312.db2.gz XQSVMPUEGBUZGS-SFHVURJKSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004471669 1267117313 /nfs/dbraw/zinc/11/73/13/1267117313.db2.gz XQSVMPUEGBUZGS-SFHVURJKSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539931 1267280087 /nfs/dbraw/zinc/28/00/87/1267280087.db2.gz JCRQAYKIGUOGGJ-SJLPKXTDSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539931 1267280095 /nfs/dbraw/zinc/28/00/95/1267280095.db2.gz JCRQAYKIGUOGGJ-SJLPKXTDSA-N 2 2 342.487 2.719 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004566600 1267300855 /nfs/dbraw/zinc/30/08/55/1267300855.db2.gz FLBZUYGQQNJBIC-IEBWSBKVSA-N 2 2 342.487 2.561 20 30 EFEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004566600 1267300864 /nfs/dbraw/zinc/30/08/64/1267300864.db2.gz FLBZUYGQQNJBIC-IEBWSBKVSA-N 2 2 342.487 2.561 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571913 1267308110 /nfs/dbraw/zinc/30/81/10/1267308110.db2.gz XHHQRMZSUOUDJP-HKUYNNGSSA-N 2 2 342.487 2.561 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571913 1267308113 /nfs/dbraw/zinc/30/81/13/1267308113.db2.gz XHHQRMZSUOUDJP-HKUYNNGSSA-N 2 2 342.487 2.561 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571918 1267308510 /nfs/dbraw/zinc/30/85/10/1267308510.db2.gz XHHQRMZSUOUDJP-PKOBYXMFSA-N 2 2 342.487 2.561 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004571918 1267308523 /nfs/dbraw/zinc/30/85/23/1267308523.db2.gz XHHQRMZSUOUDJP-PKOBYXMFSA-N 2 2 342.487 2.561 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004575932 1267314106 /nfs/dbraw/zinc/31/41/06/1267314106.db2.gz BENIAVFZWDQYEE-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004575932 1267314109 /nfs/dbraw/zinc/31/41/09/1267314109.db2.gz BENIAVFZWDQYEE-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004575932 1267314112 /nfs/dbraw/zinc/31/41/12/1267314112.db2.gz BENIAVFZWDQYEE-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004575932 1267314117 /nfs/dbraw/zinc/31/41/17/1267314117.db2.gz BENIAVFZWDQYEE-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033215088 1268200590 /nfs/dbraw/zinc/20/05/90/1268200590.db2.gz BHJXWOOWFRALLA-HNNXBMFYSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033215088 1268200595 /nfs/dbraw/zinc/20/05/95/1268200595.db2.gz BHJXWOOWFRALLA-HNNXBMFYSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085747072 1268403816 /nfs/dbraw/zinc/40/38/16/1268403816.db2.gz YACGHIWIHOMNEV-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085747072 1268403821 /nfs/dbraw/zinc/40/38/21/1268403821.db2.gz YACGHIWIHOMNEV-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419529 1269122520 /nfs/dbraw/zinc/12/25/20/1269122520.db2.gz ALHRDYYDLKTSNC-GOSISDBHSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419529 1269122532 /nfs/dbraw/zinc/12/25/32/1269122532.db2.gz ALHRDYYDLKTSNC-GOSISDBHSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684538 1269792451 /nfs/dbraw/zinc/79/24/51/1269792451.db2.gz LDQVKPGYUWCSSO-QGZVFWFLSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899296 1270525977 /nfs/dbraw/zinc/52/59/77/1270525977.db2.gz WXZOFNDOSUUAFH-MRXNPFEDSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899296 1270525983 /nfs/dbraw/zinc/52/59/83/1270525983.db2.gz WXZOFNDOSUUAFH-MRXNPFEDSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932258 1270618559 /nfs/dbraw/zinc/61/85/59/1270618559.db2.gz JZJRGNJXKXGPAC-SJORKVTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932258 1270618561 /nfs/dbraw/zinc/61/85/61/1270618561.db2.gz JZJRGNJXKXGPAC-SJORKVTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932258 1270618569 /nfs/dbraw/zinc/61/85/69/1270618569.db2.gz JZJRGNJXKXGPAC-SJORKVTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932258 1270618573 /nfs/dbraw/zinc/61/85/73/1270618573.db2.gz JZJRGNJXKXGPAC-SJORKVTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034005590 1270862332 /nfs/dbraw/zinc/86/23/32/1270862332.db2.gz VFGFFFKVKHMLPJ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034005590 1270862342 /nfs/dbraw/zinc/86/23/42/1270862342.db2.gz VFGFFFKVKHMLPJ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218293 1271381109 /nfs/dbraw/zinc/38/11/09/1271381109.db2.gz FJLYMROGNIDATM-QGZVFWFLSA-N 2 2 344.503 2.699 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218293 1271381113 /nfs/dbraw/zinc/38/11/13/1271381113.db2.gz FJLYMROGNIDATM-QGZVFWFLSA-N 2 2 344.503 2.699 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034250252 1271426695 /nfs/dbraw/zinc/42/66/95/1271426695.db2.gz RIVUKCLDSMNQOF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034250252 1271426700 /nfs/dbraw/zinc/42/67/00/1271426700.db2.gz RIVUKCLDSMNQOF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034250252 1271426706 /nfs/dbraw/zinc/42/67/06/1271426706.db2.gz RIVUKCLDSMNQOF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034250252 1271426745 /nfs/dbraw/zinc/42/67/45/1271426745.db2.gz RIVUKCLDSMNQOF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279113 1271545963 /nfs/dbraw/zinc/54/59/63/1271545963.db2.gz PSXBPNQZPRFIIH-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279113 1271545965 /nfs/dbraw/zinc/54/59/65/1271545965.db2.gz PSXBPNQZPRFIIH-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279113 1271545970 /nfs/dbraw/zinc/54/59/70/1271545970.db2.gz PSXBPNQZPRFIIH-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279113 1271545977 /nfs/dbraw/zinc/54/59/77/1271545977.db2.gz PSXBPNQZPRFIIH-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331934 1271677072 /nfs/dbraw/zinc/67/70/72/1271677072.db2.gz WALFWLQWXIFDQF-IAGOWNOFSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331934 1271677081 /nfs/dbraw/zinc/67/70/81/1271677081.db2.gz WALFWLQWXIFDQF-IAGOWNOFSA-N 2 2 339.911 2.584 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967400 1272558908 /nfs/dbraw/zinc/55/89/08/1272558908.db2.gz PPVIECQIKWTHIB-IEBWSBKVSA-N 2 2 342.443 2.558 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005663966 1272738309 /nfs/dbraw/zinc/73/83/09/1272738309.db2.gz IDKVKZQUOHHIDX-UHFFFAOYSA-N 2 2 332.835 2.623 20 30 EFEDLP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CC[NH+](CC)CC1)CC2 ZINC001169244270 1272767100 /nfs/dbraw/zinc/76/71/00/1272767100.db2.gz KRRVKOALMMEOLF-UHFFFAOYSA-N 2 2 349.519 2.971 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001169563853 1273009221 /nfs/dbraw/zinc/00/92/21/1273009221.db2.gz DIMOPIBUXVFKSE-MPYNSHQXSA-N 2 2 336.505 2.825 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108728104 1273416525 /nfs/dbraw/zinc/41/65/25/1273416525.db2.gz YILPYFVGKJRGQI-BBWFWOEESA-N 2 2 338.455 2.883 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108728105 1273416798 /nfs/dbraw/zinc/41/67/98/1273416798.db2.gz YILPYFVGKJRGQI-ULQDDVLXSA-N 2 2 338.455 2.883 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785659 1273472808 /nfs/dbraw/zinc/47/28/08/1273472808.db2.gz LIUKFMNGIUSVIP-ULQDDVLXSA-N 2 2 332.492 2.892 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108808362 1273508707 /nfs/dbraw/zinc/50/87/07/1273508707.db2.gz PBWAKSRBMYCILZ-KSZLIROESA-N 2 2 344.503 2.976 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035249766 1273932109 /nfs/dbraw/zinc/93/21/09/1273932109.db2.gz CQXWMZVAUUREOZ-UHFFFAOYSA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035249766 1273932116 /nfs/dbraw/zinc/93/21/16/1273932116.db2.gz CQXWMZVAUUREOZ-UHFFFAOYSA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035793247 1274489791 /nfs/dbraw/zinc/48/97/91/1274489791.db2.gz GNWARDKLTJWXEI-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035855940 1274603047 /nfs/dbraw/zinc/60/30/47/1274603047.db2.gz DJAFYUAOOBNVEL-UHFFFAOYSA-N 2 2 339.911 2.539 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035859206 1274614493 /nfs/dbraw/zinc/61/44/93/1274614493.db2.gz SFOBZNSGJHSIRR-HOTGVXAUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC001036239039 1275271008 /nfs/dbraw/zinc/27/10/08/1275271008.db2.gz DSOOZUNXJJZJCT-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001112853749 1276107670 /nfs/dbraw/zinc/10/76/70/1276107670.db2.gz KXTCNAFKWFPWCI-HNNXBMFYSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001112909659 1276229628 /nfs/dbraw/zinc/22/96/28/1276229628.db2.gz VDGPIVSZPBTWDW-OAHLLOKOSA-N 2 2 335.517 2.922 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995022 1276436676 /nfs/dbraw/zinc/43/66/76/1276436676.db2.gz OZUUTUWBISKNJJ-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001113005242 1276496471 /nfs/dbraw/zinc/49/64/71/1276496471.db2.gz FJPPRRRVDZBQKK-UHFFFAOYSA-N 2 2 332.492 2.817 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071242 1276772871 /nfs/dbraw/zinc/77/28/71/1276772871.db2.gz MKDWPICCBOJBNH-UHFFFAOYSA-N 2 2 326.444 2.839 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859493 1276789307 /nfs/dbraw/zinc/78/93/07/1276789307.db2.gz XEESEURLBGMVSV-CALCHBBNSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859493 1276789314 /nfs/dbraw/zinc/78/93/14/1276789314.db2.gz XEESEURLBGMVSV-CALCHBBNSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265997 1277443806 /nfs/dbraw/zinc/44/38/06/1277443806.db2.gz HFVCKJGNJLYRSD-SFHVURJKSA-N 2 2 344.503 2.645 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001113357085 1277647276 /nfs/dbraw/zinc/64/72/76/1277647276.db2.gz ARGASQOUSYMKDF-IAGOWNOFSA-N 2 2 332.492 2.638 20 30 EFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595293 1277956288 /nfs/dbraw/zinc/95/62/88/1277956288.db2.gz VGSZGHCSUMXWRC-FXAWDEMLSA-N 2 2 346.434 2.947 20 30 EFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595293 1277956292 /nfs/dbraw/zinc/95/62/92/1277956292.db2.gz VGSZGHCSUMXWRC-FXAWDEMLSA-N 2 2 346.434 2.947 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175227736 1287362329 /nfs/dbraw/zinc/36/23/29/1287362329.db2.gz UEFLUHTVQKENEX-KGLIPLIRSA-N 2 2 338.883 2.847 20 30 EFEDLP Cc1cc(N2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)nc(C)[nH+]1 ZINC001171220921 1280111178 /nfs/dbraw/zinc/11/11/78/1280111178.db2.gz FOWKYGPQQIAFMN-INIZCTEOSA-N 2 2 335.455 2.718 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560384 1280941266 /nfs/dbraw/zinc/94/12/66/1280941266.db2.gz AFULUMDSNRCYQU-HZPDHXFCSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560384 1280941270 /nfs/dbraw/zinc/94/12/70/1280941270.db2.gz AFULUMDSNRCYQU-HZPDHXFCSA-N 2 2 349.544 2.945 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146562864 1280944221 /nfs/dbraw/zinc/94/42/21/1280944221.db2.gz RGQLCNJJCAUDPG-CVEARBPZSA-N 2 2 349.544 2.945 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146562864 1280944229 /nfs/dbraw/zinc/94/42/29/1280944229.db2.gz RGQLCNJJCAUDPG-CVEARBPZSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001147774587 1281261981 /nfs/dbraw/zinc/26/19/81/1281261981.db2.gz YTGNEKUTMOLSDI-QGZVFWFLSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001147774587 1281261988 /nfs/dbraw/zinc/26/19/88/1281261988.db2.gz YTGNEKUTMOLSDI-QGZVFWFLSA-N 2 2 344.503 2.816 20 30 EFEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170784274 1287485924 /nfs/dbraw/zinc/48/59/24/1287485924.db2.gz HUJNHESYPVFEBM-HNNXBMFYSA-N 2 2 326.444 2.544 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147958693 1281378494 /nfs/dbraw/zinc/37/84/94/1281378494.db2.gz JCJHTQCFZCVVOP-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147958693 1281378503 /nfs/dbraw/zinc/37/85/03/1281378503.db2.gz JCJHTQCFZCVVOP-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043092 1287511105 /nfs/dbraw/zinc/51/11/05/1287511105.db2.gz GSLBLNKUCGZFSM-GDBMZVCRSA-N 2 2 333.476 2.696 20 30 EFEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043095 1287511174 /nfs/dbraw/zinc/51/11/74/1287511174.db2.gz GSLBLNKUCGZFSM-ZBFHGGJFSA-N 2 2 333.476 2.696 20 30 EFEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175719403 1287528151 /nfs/dbraw/zinc/52/81/51/1287528151.db2.gz IMPIWVTVDTYYAM-INIZCTEOSA-N 2 2 328.460 2.636 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001086942094 1281971286 /nfs/dbraw/zinc/97/12/86/1281971286.db2.gz ITAHMLIOHPLWSF-HZPDHXFCSA-N 2 2 342.487 2.719 20 30 EFEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945958 1281980868 /nfs/dbraw/zinc/98/08/68/1281980868.db2.gz MHSKYNHRBBGBJF-ZWKOTPCHSA-N 2 2 342.487 2.561 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934636 1282009252 /nfs/dbraw/zinc/00/92/52/1282009252.db2.gz VZRUXMVHJJVZFH-KRWDZBQOSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955218 1282022630 /nfs/dbraw/zinc/02/26/30/1282022630.db2.gz HMNHKOPHJKPDCK-QGZVFWFLSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955285 1282023153 /nfs/dbraw/zinc/02/31/53/1282023153.db2.gz JMOKOPIIRVQNHO-KRWDZBQOSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002907 1282302945 /nfs/dbraw/zinc/30/29/45/1282302945.db2.gz JGADICUANKSISJ-GUXCAODWSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002907 1282302946 /nfs/dbraw/zinc/30/29/46/1282302946.db2.gz JGADICUANKSISJ-GUXCAODWSA-N 2 2 342.487 2.576 20 30 EFEDLP C=CCCCCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976058 1282652649 /nfs/dbraw/zinc/65/26/49/1282652649.db2.gz HOWXHKDZSDLFPP-UHFFFAOYSA-N 2 2 326.444 2.938 20 30 EFEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097107 1287591965 /nfs/dbraw/zinc/59/19/65/1287591965.db2.gz HOBBOMCFVDZIKW-CVEARBPZSA-N 2 2 326.444 2.935 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125613 1283005196 /nfs/dbraw/zinc/00/51/96/1283005196.db2.gz XNEXIRNZVVULAQ-IRXDYDNUSA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125613 1283005209 /nfs/dbraw/zinc/00/52/09/1283005209.db2.gz XNEXIRNZVVULAQ-IRXDYDNUSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857832 1283078289 /nfs/dbraw/zinc/07/82/89/1283078289.db2.gz PBBIXMKIJSONQN-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857832 1283078296 /nfs/dbraw/zinc/07/82/96/1283078296.db2.gz PBBIXMKIJSONQN-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036748340 1283394395 /nfs/dbraw/zinc/39/43/95/1283394395.db2.gz BRNOWCBPJWCPNS-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036748340 1283394401 /nfs/dbraw/zinc/39/44/01/1283394401.db2.gz BRNOWCBPJWCPNS-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132507999 1283794349 /nfs/dbraw/zinc/79/43/49/1283794349.db2.gz BDEAICBPVLAIEQ-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132507999 1283794356 /nfs/dbraw/zinc/79/43/56/1283794356.db2.gz BDEAICBPVLAIEQ-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381533 1283848177 /nfs/dbraw/zinc/84/81/77/1283848177.db2.gz OXAFAMCEROLJJK-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381533 1283848190 /nfs/dbraw/zinc/84/81/90/1283848190.db2.gz OXAFAMCEROLJJK-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171409984 1283975585 /nfs/dbraw/zinc/97/55/85/1283975585.db2.gz QOHVLUKWXADGDP-MSOLQXFVSA-N 2 2 332.492 2.758 20 30 EFEDLP CN(CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000747719895 1284348517 /nfs/dbraw/zinc/34/85/17/1284348517.db2.gz YZVFLDIOXGAAFV-UHFFFAOYSA-N 2 2 326.444 2.522 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919167 1284466891 /nfs/dbraw/zinc/46/68/91/1284466891.db2.gz FCJFSCJPCBPXOO-DOTOQJQBSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132925011 1284474199 /nfs/dbraw/zinc/47/41/99/1284474199.db2.gz SXLKIDUAYZFOHA-FUHWJXTLSA-N 2 2 345.487 2.673 20 30 EFEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001132991999 1284603476 /nfs/dbraw/zinc/60/34/76/1284603476.db2.gz BJQNTDRVCAEXFN-KSSFIOAISA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135916 1284851180 /nfs/dbraw/zinc/85/11/80/1284851180.db2.gz ZCSZENIWLIIJNL-SJORKVTESA-N 2 2 332.492 2.773 20 30 EFEDLP CC(C)OCCO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000812240442 1284996982 /nfs/dbraw/zinc/99/69/82/1284996982.db2.gz QLNYIUVJGDLDCO-UHFFFAOYSA-N 2 2 339.867 2.867 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355703 1285250400 /nfs/dbraw/zinc/25/04/00/1285250400.db2.gz ZWSVQIRQXDPENI-ROUUACIJSA-N 2 2 334.508 2.928 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363410 1285263822 /nfs/dbraw/zinc/26/38/22/1285263822.db2.gz HZYRPBGLFQDCFF-ROUUACIJSA-N 2 2 332.492 2.704 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363411 1285264199 /nfs/dbraw/zinc/26/41/99/1285264199.db2.gz HZYRPBGLFQDCFF-ZWKOTPCHSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC001133396231 1285341734 /nfs/dbraw/zinc/34/17/34/1285341734.db2.gz XPAGWCPCSHQTBC-UHFFFAOYSA-N 2 2 346.862 2.800 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486717 1285567514 /nfs/dbraw/zinc/56/75/14/1285567514.db2.gz NYVFUCLZCRRCLV-MRXNPFEDSA-N 2 2 333.476 2.864 20 30 EFEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171529851 1285633552 /nfs/dbraw/zinc/63/35/52/1285633552.db2.gz ZTCMWLPPTLKZQK-HNNXBMFYSA-N 2 2 344.459 2.644 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171576551 1285655698 /nfs/dbraw/zinc/65/56/98/1285655698.db2.gz BKQPMKHDDRJXCG-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171603832 1285672557 /nfs/dbraw/zinc/67/25/57/1285672557.db2.gz CRHORZLXXWMCTD-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP Cc1ccccc1OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838948 1285686814 /nfs/dbraw/zinc/68/68/14/1285686814.db2.gz STVIQGLVYPNZNX-UHFFFAOYSA-N 2 2 327.428 2.773 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000813333031 1285816109 /nfs/dbraw/zinc/81/61/09/1285816109.db2.gz IJNZXIXLRKTEFL-HXUWFJFHSA-N 2 2 343.471 2.655 20 30 EFEDLP CC1(C)C[C@@H]([NH+]2CCN(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171983926 1285963688 /nfs/dbraw/zinc/96/36/88/1285963688.db2.gz HJCHHJXASQGZNC-FQEVSTJZSA-N 2 2 340.515 2.961 20 30 EFEDLP CC1(C)C[C@@H]([NH+]2CCN(CCC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171983926 1285963693 /nfs/dbraw/zinc/96/36/93/1285963693.db2.gz HJCHHJXASQGZNC-FQEVSTJZSA-N 2 2 340.515 2.961 20 30 EFEDLP C=CC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157897 1289061064 /nfs/dbraw/zinc/06/10/64/1289061064.db2.gz VIYFDEJBEIGWLN-UHFFFAOYSA-N 2 2 326.444 2.938 20 30 EFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595076 1286709350 /nfs/dbraw/zinc/70/93/50/1286709350.db2.gz KVYCSENHRCPXKA-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595076 1286709353 /nfs/dbraw/zinc/70/93/53/1286709353.db2.gz KVYCSENHRCPXKA-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595076 1286709359 /nfs/dbraw/zinc/70/93/59/1286709359.db2.gz KVYCSENHRCPXKA-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595076 1286709361 /nfs/dbraw/zinc/70/93/61/1286709361.db2.gz KVYCSENHRCPXKA-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176775236 1288105911 /nfs/dbraw/zinc/10/59/11/1288105911.db2.gz LXQKOIYVEYBCRM-HKUYNNGSSA-N 2 2 346.519 2.915 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769051 1288126573 /nfs/dbraw/zinc/12/65/73/1288126573.db2.gz CSTPZTKYNIFIDB-IEBWSBKVSA-N 2 2 346.519 2.915 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769334 1288126938 /nfs/dbraw/zinc/12/69/38/1288126938.db2.gz JWDZZPVPYFKNOP-WMZOPIPTSA-N 2 2 332.492 2.525 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177064057 1288250417 /nfs/dbraw/zinc/25/04/17/1288250417.db2.gz KTFSMPBNTDPXLB-GOSISDBHSA-N 2 2 334.508 2.751 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179561589 1289177167 /nfs/dbraw/zinc/17/71/67/1289177167.db2.gz JZXPZNSQZLJQHW-MLHJIOFPSA-N 2 2 344.503 2.849 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177469092 1288432615 /nfs/dbraw/zinc/43/26/15/1288432615.db2.gz VKIDONLEVQWMLN-UHFFFAOYSA-N 2 2 332.492 2.835 20 30 EFEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431116 1288437929 /nfs/dbraw/zinc/43/79/29/1288437929.db2.gz KPWQHQLJYXCNJD-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135916697 1288597677 /nfs/dbraw/zinc/59/76/77/1288597677.db2.gz QWMLLULVTFOTCY-CVEARBPZSA-N 2 2 341.459 2.720 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178536435 1288808323 /nfs/dbraw/zinc/80/83/23/1288808323.db2.gz VWYJKMXDBJVQTE-UHFFFAOYSA-N 2 2 332.492 2.604 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001178746798 1288891563 /nfs/dbraw/zinc/89/15/63/1288891563.db2.gz KTHPLRXCCAALJL-RYRKJORJSA-N 2 2 344.503 2.696 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852530 1288942671 /nfs/dbraw/zinc/94/26/71/1288942671.db2.gz UNNLHBNAEDCPDQ-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178865079 1288948833 /nfs/dbraw/zinc/94/88/33/1288948833.db2.gz OMHPWEYURVQBIV-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819095 1312686872 /nfs/dbraw/zinc/68/68/72/1312686872.db2.gz JUTSKJOPTKRTSJ-IAGOWNOFSA-N 2 2 344.503 2.676 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956989 1288997818 /nfs/dbraw/zinc/99/78/18/1288997818.db2.gz HEITVYTVOLFXBL-HRCADAONSA-N 2 2 338.883 2.802 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849387 1312691917 /nfs/dbraw/zinc/69/19/17/1312691917.db2.gz QGJBCFZNTNTTSM-DLBZAZTESA-N 2 2 344.503 2.676 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849388 1312692024 /nfs/dbraw/zinc/69/20/24/1312692024.db2.gz QGJBCFZNTNTTSM-IAGOWNOFSA-N 2 2 344.503 2.676 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC001179714982 1289243288 /nfs/dbraw/zinc/24/32/88/1289243288.db2.gz UTLTXQJJYQNIKT-WMZOPIPTSA-N 2 2 340.471 2.730 20 30 EFEDLP C=CC[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179972851 1289345339 /nfs/dbraw/zinc/34/53/39/1289345339.db2.gz ANYCPSHFJQPFKO-UHFFFAOYSA-N 2 2 326.444 2.938 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001180046824 1289371192 /nfs/dbraw/zinc/37/11/92/1289371192.db2.gz CMPCJZWHJIUPCJ-UHFFFAOYSA-N 2 2 341.459 2.723 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180275492 1289458251 /nfs/dbraw/zinc/45/82/51/1289458251.db2.gz AFRZNIRGCLSVQI-ROUUACIJSA-N 2 2 332.492 2.989 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001180387087 1289503349 /nfs/dbraw/zinc/50/33/49/1289503349.db2.gz KIBRFUQGJMDTBH-SFHVURJKSA-N 2 2 332.492 2.527 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)cccc2F)CC1 ZINC001232487661 1312716092 /nfs/dbraw/zinc/71/60/92/1312716092.db2.gz SGQJEICZRFGZNZ-UHFFFAOYSA-N 2 2 331.479 2.926 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181680501 1289903009 /nfs/dbraw/zinc/90/30/09/1289903009.db2.gz ZUTYQXUGJVXLDS-JTDSTZFVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181680501 1289903020 /nfs/dbraw/zinc/90/30/20/1289903020.db2.gz ZUTYQXUGJVXLDS-JTDSTZFVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322450 1312760856 /nfs/dbraw/zinc/76/08/56/1312760856.db2.gz DRXSCVFYASBBML-MRXNPFEDSA-N 2 2 332.492 2.584 20 30 EFEDLP Cc1ccc[nH+]c1N1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277708146 1312771437 /nfs/dbraw/zinc/77/14/37/1312771437.db2.gz RGSLTQWPKVHZNT-UHFFFAOYSA-N 2 2 335.455 2.703 20 30 EFEDLP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183584936 1290371447 /nfs/dbraw/zinc/37/14/47/1290371447.db2.gz XDCGKXZGSDXJKQ-IEBWSBKVSA-N 2 2 332.492 2.704 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399752 1290455765 /nfs/dbraw/zinc/45/57/65/1290455765.db2.gz NAWRZIGEVUIEAR-QAPCUYQASA-N 2 2 340.471 2.907 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184400030 1290455828 /nfs/dbraw/zinc/45/58/28/1290455828.db2.gz RGBGIUABZMSJPC-PBHICJAKSA-N 2 2 326.444 2.517 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651419 1290487608 /nfs/dbraw/zinc/48/76/08/1290487608.db2.gz FLBQYDHAXRFIIO-AEFFLSMTSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184653440 1290489522 /nfs/dbraw/zinc/48/95/22/1290489522.db2.gz RCLUBIZQDRLWMB-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184653443 1290489542 /nfs/dbraw/zinc/48/95/42/1290489542.db2.gz RCLUBIZQDRLWMB-WBVHZDCISA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184653966 1290489562 /nfs/dbraw/zinc/48/95/62/1290489562.db2.gz UTPSPRWMZKAOCG-SJORKVTESA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184797501 1290524683 /nfs/dbraw/zinc/52/46/83/1290524683.db2.gz DDDWVBNTRWKHMQ-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184850060 1290526037 /nfs/dbraw/zinc/52/60/37/1290526037.db2.gz BFTHKDYMFRANPS-YJBOKZPZSA-N 2 2 327.472 2.718 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001137116974 1291142112 /nfs/dbraw/zinc/14/21/12/1291142112.db2.gz XFXYKQRUGZQBHV-WOJBJXKFSA-N 2 2 348.450 2.548 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc[nH+]4)C[C@H]3CC2)cc1C#N ZINC001277753562 1312834774 /nfs/dbraw/zinc/83/47/74/1312834774.db2.gz YWBRVBHETPNXPY-HDICACEKSA-N 2 2 335.455 2.640 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc[nH+]4)C[C@H]3CC2)cc1C#N ZINC001277753562 1312834778 /nfs/dbraw/zinc/83/47/78/1312834778.db2.gz YWBRVBHETPNXPY-HDICACEKSA-N 2 2 335.455 2.640 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC3(C2)CCN(c2cccc[nH+]2)CC3)cc1C#N ZINC001277752940 1312841278 /nfs/dbraw/zinc/84/12/78/1312841278.db2.gz NDBHITFNVDTHDG-UHFFFAOYSA-N 2 2 335.455 2.784 20 30 EFEDLP Cn1cc(C[N@H+]2CCC3(C2)CCN(c2cccc[nH+]2)CC3)cc1C#N ZINC001277752940 1312841280 /nfs/dbraw/zinc/84/12/80/1312841280.db2.gz NDBHITFNVDTHDG-UHFFFAOYSA-N 2 2 335.455 2.784 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000957561393 1291769018 /nfs/dbraw/zinc/76/90/18/1291769018.db2.gz PXCLTADOLVHJMS-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000957561393 1291769026 /nfs/dbraw/zinc/76/90/26/1291769026.db2.gz PXCLTADOLVHJMS-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC000957577452 1291792549 /nfs/dbraw/zinc/79/25/49/1291792549.db2.gz CAERBFOWQZBOCM-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614870 1291885522 /nfs/dbraw/zinc/88/55/22/1291885522.db2.gz SADXHKDKAACQMB-SFHVURJKSA-N 2 2 342.487 2.562 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189998620 1291963422 /nfs/dbraw/zinc/96/34/22/1291963422.db2.gz FEYMFEDEQMVIHJ-PKOBYXMFSA-N 2 2 346.519 2.856 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189998620 1291963426 /nfs/dbraw/zinc/96/34/26/1291963426.db2.gz FEYMFEDEQMVIHJ-PKOBYXMFSA-N 2 2 346.519 2.856 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261052 1292087127 /nfs/dbraw/zinc/08/71/27/1292087127.db2.gz ZALAYPIHSLIVIJ-FUHWJXTLSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261052 1292087135 /nfs/dbraw/zinc/08/71/35/1292087135.db2.gz ZALAYPIHSLIVIJ-FUHWJXTLSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261054 1292088236 /nfs/dbraw/zinc/08/82/36/1292088236.db2.gz ZALAYPIHSLIVIJ-SJLPKXTDSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261054 1292088244 /nfs/dbraw/zinc/08/82/44/1292088244.db2.gz ZALAYPIHSLIVIJ-SJLPKXTDSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261050 1292088462 /nfs/dbraw/zinc/08/84/62/1292088462.db2.gz ZALAYPIHSLIVIJ-AEFFLSMTSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261050 1292088472 /nfs/dbraw/zinc/08/84/72/1292088472.db2.gz ZALAYPIHSLIVIJ-AEFFLSMTSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476050 1312903138 /nfs/dbraw/zinc/90/31/38/1312903138.db2.gz BOOJDYXVXDMXMM-QZTJIDSGSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476050 1312903142 /nfs/dbraw/zinc/90/31/42/1312903142.db2.gz BOOJDYXVXDMXMM-QZTJIDSGSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487380 1292179491 /nfs/dbraw/zinc/17/94/91/1292179491.db2.gz ZLMFCKLQPQNXJN-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487380 1292179497 /nfs/dbraw/zinc/17/94/97/1292179497.db2.gz ZLMFCKLQPQNXJN-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819607 1292328509 /nfs/dbraw/zinc/32/85/09/1292328509.db2.gz YZYFPNTXKRIXNL-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819607 1292328518 /nfs/dbraw/zinc/32/85/18/1292328518.db2.gz YZYFPNTXKRIXNL-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819600 1292328591 /nfs/dbraw/zinc/32/85/91/1292328591.db2.gz YZYFPNTXKRIXNL-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819600 1292328597 /nfs/dbraw/zinc/32/85/97/1292328597.db2.gz YZYFPNTXKRIXNL-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878556 1292359227 /nfs/dbraw/zinc/35/92/27/1292359227.db2.gz JFXZGUGUBWLYEK-RDJZCZTQSA-N 2 2 331.460 2.520 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878556 1292359233 /nfs/dbraw/zinc/35/92/33/1292359233.db2.gz JFXZGUGUBWLYEK-RDJZCZTQSA-N 2 2 331.460 2.520 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008856 1292421319 /nfs/dbraw/zinc/42/13/19/1292421319.db2.gz CEMHOERIFGZXJH-QZTJIDSGSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008856 1292421324 /nfs/dbraw/zinc/42/13/24/1292421324.db2.gz CEMHOERIFGZXJH-QZTJIDSGSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010393 1292423808 /nfs/dbraw/zinc/42/38/08/1292423808.db2.gz LRCLUDHOXGNXEY-HKUYNNGSSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010393 1292423810 /nfs/dbraw/zinc/42/38/10/1292423810.db2.gz LRCLUDHOXGNXEY-HKUYNNGSSA-N 2 2 346.519 2.949 20 30 EFEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016709635 1312938962 /nfs/dbraw/zinc/93/89/62/1312938962.db2.gz NNNPYPCUIJWRNW-MRXNPFEDSA-N 2 2 344.846 2.671 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203531062 1312947976 /nfs/dbraw/zinc/94/79/76/1312947976.db2.gz OISYKSHSIYNUDB-CVEARBPZSA-N 2 2 332.492 2.940 20 30 EFEDLP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016744542 1312954972 /nfs/dbraw/zinc/95/49/72/1312954972.db2.gz ZRFADDWACPZCMJ-KRWDZBQOSA-N 2 2 325.456 2.614 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001016748424 1312956980 /nfs/dbraw/zinc/95/69/80/1312956980.db2.gz JZKZPWYVCAYPJX-SFHVURJKSA-N 2 2 336.439 2.643 20 30 EFEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203564172 1312958001 /nfs/dbraw/zinc/95/80/01/1312958001.db2.gz UDMOKVNKGXXHDG-OALUTQOASA-N 2 2 348.450 2.526 20 30 EFEDLP C#C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000775571471 1293179447 /nfs/dbraw/zinc/17/94/47/1293179447.db2.gz HOMUIDGFFAMDBV-PMACEKPBSA-N 2 2 330.447 2.603 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424334 1293302354 /nfs/dbraw/zinc/30/23/54/1293302354.db2.gz MHDBWFOFLMUIEH-MSOLQXFVSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424334 1293302364 /nfs/dbraw/zinc/30/23/64/1293302364.db2.gz MHDBWFOFLMUIEH-MSOLQXFVSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424334 1293302368 /nfs/dbraw/zinc/30/23/68/1293302368.db2.gz MHDBWFOFLMUIEH-MSOLQXFVSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424334 1293302375 /nfs/dbraw/zinc/30/23/75/1293302375.db2.gz MHDBWFOFLMUIEH-MSOLQXFVSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814183 1313022112 /nfs/dbraw/zinc/02/21/12/1313022112.db2.gz HQERATNTXVCZPT-DLBZAZTESA-N 2 2 330.476 2.647 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814483 1313022243 /nfs/dbraw/zinc/02/22/43/1313022243.db2.gz JZJAQNYJCOWALP-IAGOWNOFSA-N 2 2 330.476 2.647 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815842 1313023284 /nfs/dbraw/zinc/02/32/84/1313023284.db2.gz RHOSBAVVMXBJAT-SJORKVTESA-N 2 2 330.476 2.647 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001016909966 1313038025 /nfs/dbraw/zinc/03/80/25/1313038025.db2.gz OTYDOXKFVMKYCE-SFHVURJKSA-N 2 2 336.439 2.643 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001196201272 1294160922 /nfs/dbraw/zinc/16/09/22/1294160922.db2.gz XEKMESRZZANNRF-IAGOWNOFSA-N 2 2 330.476 2.794 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001196201272 1294160930 /nfs/dbraw/zinc/16/09/30/1294160930.db2.gz XEKMESRZZANNRF-IAGOWNOFSA-N 2 2 330.476 2.794 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001196201272 1294160933 /nfs/dbraw/zinc/16/09/33/1294160933.db2.gz XEKMESRZZANNRF-IAGOWNOFSA-N 2 2 330.476 2.794 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001196201272 1294160937 /nfs/dbraw/zinc/16/09/37/1294160937.db2.gz XEKMESRZZANNRF-IAGOWNOFSA-N 2 2 330.476 2.794 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589689 1313058576 /nfs/dbraw/zinc/05/85/76/1313058576.db2.gz AWCPEWUGSPXKSJ-DLBZAZTESA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589689 1313058581 /nfs/dbraw/zinc/05/85/81/1313058581.db2.gz AWCPEWUGSPXKSJ-DLBZAZTESA-N 2 2 344.846 2.766 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341988 1294204964 /nfs/dbraw/zinc/20/49/64/1294204964.db2.gz UBLCDCAJXSBJCI-NVXWUHKLSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341988 1294204972 /nfs/dbraw/zinc/20/49/72/1294204972.db2.gz UBLCDCAJXSBJCI-NVXWUHKLSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341988 1294204974 /nfs/dbraw/zinc/20/49/74/1294204974.db2.gz UBLCDCAJXSBJCI-NVXWUHKLSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341988 1294204981 /nfs/dbraw/zinc/20/49/81/1294204981.db2.gz UBLCDCAJXSBJCI-NVXWUHKLSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341990 1294205057 /nfs/dbraw/zinc/20/50/57/1294205057.db2.gz UBLCDCAJXSBJCI-WBVHZDCISA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341990 1294205061 /nfs/dbraw/zinc/20/50/61/1294205061.db2.gz UBLCDCAJXSBJCI-WBVHZDCISA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341990 1294205066 /nfs/dbraw/zinc/20/50/66/1294205066.db2.gz UBLCDCAJXSBJCI-WBVHZDCISA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341990 1294205072 /nfs/dbraw/zinc/20/50/72/1294205072.db2.gz UBLCDCAJXSBJCI-WBVHZDCISA-N 2 2 344.503 2.712 20 30 EFEDLP CCc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000303780771 1294580084 /nfs/dbraw/zinc/58/00/84/1294580084.db2.gz LPLDSGSGNMJFLA-HUUCEWRRSA-N 2 2 332.492 2.863 20 30 EFEDLP CN(C)C(NCc1ccccc1)=[NH+]CC[N@@H+]1CCc2sccc2C1 ZINC000303885101 1294598424 /nfs/dbraw/zinc/59/84/24/1294598424.db2.gz MYOBCHKJHKUPIK-UHFFFAOYSA-N 2 2 342.512 2.814 20 30 EFEDLP CN(C)C(NCc1ccccc1)=[NH+]CC[N@H+]1CCc2sccc2C1 ZINC000303885101 1294598432 /nfs/dbraw/zinc/59/84/32/1294598432.db2.gz MYOBCHKJHKUPIK-UHFFFAOYSA-N 2 2 342.512 2.814 20 30 EFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2[nH]ccc2C#N)cc1 ZINC001198017772 1294834552 /nfs/dbraw/zinc/83/45/52/1294834552.db2.gz LWZYETUVHYEDPI-UHFFFAOYSA-N 2 2 339.443 2.522 20 30 EFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2[nH]ccc2C#N)cc1 ZINC001198017772 1294834565 /nfs/dbraw/zinc/83/45/65/1294834565.db2.gz LWZYETUVHYEDPI-UHFFFAOYSA-N 2 2 339.443 2.522 20 30 EFEDLP CCOCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858568 1313133085 /nfs/dbraw/zinc/13/30/85/1313133085.db2.gz SACUZEANTXAIRL-FQEVSTJZSA-N 2 2 344.503 2.611 20 30 EFEDLP CCOCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858568 1313133088 /nfs/dbraw/zinc/13/30/88/1313133088.db2.gz SACUZEANTXAIRL-FQEVSTJZSA-N 2 2 344.503 2.611 20 30 EFEDLP CCOCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858568 1313133091 /nfs/dbraw/zinc/13/30/91/1313133091.db2.gz SACUZEANTXAIRL-FQEVSTJZSA-N 2 2 344.503 2.611 20 30 EFEDLP CCOCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858568 1313133093 /nfs/dbraw/zinc/13/30/93/1313133093.db2.gz SACUZEANTXAIRL-FQEVSTJZSA-N 2 2 344.503 2.611 20 30 EFEDLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000903823378 1313253902 /nfs/dbraw/zinc/25/39/02/1313253902.db2.gz FUWKKVFUYFOBPX-UHFFFAOYSA-N 2 2 325.416 2.515 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201300969 1296712015 /nfs/dbraw/zinc/71/20/15/1296712015.db2.gz HLCPCAQYFKCBLY-KRWDZBQOSA-N 2 2 344.503 2.773 20 30 EFEDLP N#CCC[N@@H+]1Cc2ccccc2C2(CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC001277938864 1313297448 /nfs/dbraw/zinc/29/74/48/1313297448.db2.gz GVNBXBFEBYEYLW-UHFFFAOYSA-N 2 2 335.455 2.673 20 30 EFEDLP N#CCC[N@H+]1Cc2ccccc2C2(CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC001277938864 1313297452 /nfs/dbraw/zinc/29/74/52/1313297452.db2.gz GVNBXBFEBYEYLW-UHFFFAOYSA-N 2 2 335.455 2.673 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201333503 1296745903 /nfs/dbraw/zinc/74/59/03/1296745903.db2.gz AZOGCYJDWRQDPK-QGZVFWFLSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487533 1313298376 /nfs/dbraw/zinc/29/83/76/1313298376.db2.gz GGSRLYXNAAXERG-USXIJHARSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487533 1313298380 /nfs/dbraw/zinc/29/83/80/1313298380.db2.gz GGSRLYXNAAXERG-USXIJHARSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201337304 1296749198 /nfs/dbraw/zinc/74/91/98/1296749198.db2.gz PCMXQQPMFSRSHR-QGZVFWFLSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555953 1313311425 /nfs/dbraw/zinc/31/14/25/1313311425.db2.gz HTYMCSHKRSCPQL-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553230 1313311780 /nfs/dbraw/zinc/31/17/80/1313311780.db2.gz QSRJTLZMDJHQIA-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588826 1296947279 /nfs/dbraw/zinc/94/72/79/1296947279.db2.gz MDSFNLIBZOZQRH-OAHLLOKOSA-N 2 2 326.444 2.883 20 30 EFEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679257 1313336042 /nfs/dbraw/zinc/33/60/42/1313336042.db2.gz COVIYKOZQYLHIR-UHFFFAOYSA-N 2 2 332.835 2.529 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001235516276 1313342491 /nfs/dbraw/zinc/34/24/91/1313342491.db2.gz UHDYJLWMZLFIQE-NHCUHLMSSA-N 2 2 332.451 2.711 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001235515431 1313342883 /nfs/dbraw/zinc/34/28/83/1313342883.db2.gz UXHUHFPESAVIMB-WOJBJXKFSA-N 2 2 332.451 2.711 20 30 EFEDLP CCCCCCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001201846275 1297128076 /nfs/dbraw/zinc/12/80/76/1297128076.db2.gz FFGQNWLOYNGOPT-UHFFFAOYSA-N 2 2 325.541 2.687 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202447352 1297387454 /nfs/dbraw/zinc/38/74/54/1297387454.db2.gz MNICJBBKMMMMSQ-HOCLYGCPSA-N 2 2 330.476 2.765 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961163194 1298236365 /nfs/dbraw/zinc/23/63/65/1298236365.db2.gz XZYSPGOQXCLOLP-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961163194 1298236373 /nfs/dbraw/zinc/23/63/73/1298236373.db2.gz XZYSPGOQXCLOLP-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260415 1298440347 /nfs/dbraw/zinc/44/03/47/1298440347.db2.gz ILJVBNWHVUROMP-SJORKVTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260415 1298440352 /nfs/dbraw/zinc/44/03/52/1298440352.db2.gz ILJVBNWHVUROMP-SJORKVTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413694 1298709199 /nfs/dbraw/zinc/70/91/99/1298709199.db2.gz FYPGMSNRNLGEDT-PKOBYXMFSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413694 1298709206 /nfs/dbraw/zinc/70/92/06/1298709206.db2.gz FYPGMSNRNLGEDT-PKOBYXMFSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961430962 1298736254 /nfs/dbraw/zinc/73/62/54/1298736254.db2.gz GSPADOJAJPBXPI-KRWDZBQOSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961430962 1298736267 /nfs/dbraw/zinc/73/62/67/1298736267.db2.gz GSPADOJAJPBXPI-KRWDZBQOSA-N 2 2 344.503 2.824 20 30 EFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001413046048 1298750599 /nfs/dbraw/zinc/75/05/99/1298750599.db2.gz LMUWSLODVDDATA-RBUKOAKNSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001413046048 1298750610 /nfs/dbraw/zinc/75/06/10/1298750610.db2.gz LMUWSLODVDDATA-RBUKOAKNSA-N 2 2 348.535 2.581 20 30 EFEDLP C(#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1)c1ccccc1 ZINC001237143264 1313592683 /nfs/dbraw/zinc/59/26/83/1313592683.db2.gz QNWHADFJVHQNRU-QFIPXVFZSA-N 2 2 332.447 2.651 20 30 EFEDLP C(#Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1)c1ccccc1 ZINC001237143264 1313592686 /nfs/dbraw/zinc/59/26/86/1313592686.db2.gz QNWHADFJVHQNRU-QFIPXVFZSA-N 2 2 332.447 2.651 20 30 EFEDLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207110819 1313615438 /nfs/dbraw/zinc/61/54/38/1313615438.db2.gz TXNKDSZXRRZLJM-UHFFFAOYSA-N 2 2 345.535 2.526 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOCc2ccccc2)cc1 ZINC000853674297 1300224362 /nfs/dbraw/zinc/22/43/62/1300224362.db2.gz VXZJATMGRHPKCI-UHFFFAOYSA-N 2 2 327.428 2.602 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC/C=C\CCC ZINC001110678757 1300459320 /nfs/dbraw/zinc/45/93/20/1300459320.db2.gz GDKXQPOIYCUKRT-CQELEZKQSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CCC ZINC001110678757 1300459322 /nfs/dbraw/zinc/45/93/22/1300459322.db2.gz GDKXQPOIYCUKRT-CQELEZKQSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C\CCC ZINC001110678757 1300459327 /nfs/dbraw/zinc/45/93/27/1300459327.db2.gz GDKXQPOIYCUKRT-CQELEZKQSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C\CCC ZINC001110678757 1300459333 /nfs/dbraw/zinc/45/93/33/1300459333.db2.gz GDKXQPOIYCUKRT-CQELEZKQSA-N 2 2 343.515 2.552 20 30 EFEDLP N#Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)cc1 ZINC001278133929 1313693820 /nfs/dbraw/zinc/69/38/20/1313693820.db2.gz AFKBARUQOYVFGF-SFTDATJTSA-N 2 2 349.482 2.536 20 30 EFEDLP N#Cc1ccc(CCC[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)cc1 ZINC001278133929 1313693822 /nfs/dbraw/zinc/69/38/22/1313693822.db2.gz AFKBARUQOYVFGF-SFTDATJTSA-N 2 2 349.482 2.536 20 30 EFEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001018129805 1313701140 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AQEPFEPIFDKCFE-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321234 1300594645 /nfs/dbraw/zinc/59/46/45/1300594645.db2.gz CDQRVULOZTXTAL-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321234 1300594651 /nfs/dbraw/zinc/59/46/51/1300594651.db2.gz CDQRVULOZTXTAL-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333265 1300620955 /nfs/dbraw/zinc/62/09/55/1300620955.db2.gz LKCGPUHGFYFCQY-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333265 1300620959 /nfs/dbraw/zinc/62/09/59/1300620959.db2.gz LKCGPUHGFYFCQY-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337310 1300633347 /nfs/dbraw/zinc/63/33/47/1300633347.db2.gz NQGLQJSXSAWPMU-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 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/nfs/dbraw/zinc/69/58/30/1311695830.db2.gz JSHONJDCPKVRLA-MRXNPFEDSA-N 2 2 348.878 2.651 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529831 1311729851 /nfs/dbraw/zinc/72/98/51/1311729851.db2.gz QVZAQBQPRUELRO-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529831 1311729853 /nfs/dbraw/zinc/72/98/53/1311729853.db2.gz QVZAQBQPRUELRO-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617267 1311747181 /nfs/dbraw/zinc/74/71/81/1311747181.db2.gz KXINYZFFCMEKQJ-UHFFFAOYSA-N 2 2 344.846 2.839 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617267 1311747182 /nfs/dbraw/zinc/74/71/82/1311747182.db2.gz KXINYZFFCMEKQJ-UHFFFAOYSA-N 2 2 344.846 2.839 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001227028749 1311753944 /nfs/dbraw/zinc/75/39/44/1311753944.db2.gz LJPQSJWRROVHCU-IAGOWNOFSA-N 2 2 331.460 2.616 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464158 1311809442 /nfs/dbraw/zinc/80/94/42/1311809442.db2.gz DWJIKKSFAHEWEA-CQSZACIVSA-N 2 2 338.883 2.730 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001227867515 1311867173 /nfs/dbraw/zinc/86/71/73/1311867173.db2.gz HLXAAYCRCPSXPI-IAGOWNOFSA-N 2 2 330.476 2.840 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001227867515 1311867177 /nfs/dbraw/zinc/86/71/77/1311867177.db2.gz HLXAAYCRCPSXPI-IAGOWNOFSA-N 2 2 330.476 2.840 20 30 EFEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048537944 1311877683 /nfs/dbraw/zinc/87/76/83/1311877683.db2.gz HDFAIGYEVDEYGD-ACHSLPGTSA-N 2 2 336.439 2.559 20 30 EFEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048537944 1311877688 /nfs/dbraw/zinc/87/76/88/1311877688.db2.gz HDFAIGYEVDEYGD-ACHSLPGTSA-N 2 2 336.439 2.559 20 30 EFEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048537906 1311878302 /nfs/dbraw/zinc/87/83/02/1311878302.db2.gz GEZJNMGHDDVBEZ-ACHSLPGTSA-N 2 2 336.439 2.559 20 30 EFEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048537906 1311878304 /nfs/dbraw/zinc/87/83/04/1311878304.db2.gz GEZJNMGHDDVBEZ-ACHSLPGTSA-N 2 2 336.439 2.559 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439106 1311889689 /nfs/dbraw/zinc/88/96/89/1311889689.db2.gz JDCJTJOCCGVYLS-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439106 1311889691 /nfs/dbraw/zinc/88/96/91/1311889691.db2.gz JDCJTJOCCGVYLS-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439106 1311889694 /nfs/dbraw/zinc/88/96/94/1311889694.db2.gz JDCJTJOCCGVYLS-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439106 1311889696 /nfs/dbraw/zinc/88/96/96/1311889696.db2.gz JDCJTJOCCGVYLS-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001228053392 1311894640 /nfs/dbraw/zinc/89/46/40/1311894640.db2.gz FUPBQFSJPGPBCB-KRWDZBQOSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161472775 1311896589 /nfs/dbraw/zinc/89/65/89/1311896589.db2.gz YVFCRWVUKZJZRA-HOTGVXAUSA-N 2 2 343.462 2.782 20 30 EFEDLP CC#CC[N@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627542 1311934944 /nfs/dbraw/zinc/93/49/44/1311934944.db2.gz MTIMUVRUTCBNNT-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627542 1311934949 /nfs/dbraw/zinc/93/49/49/1311934949.db2.gz MTIMUVRUTCBNNT-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228408144 1311942878 /nfs/dbraw/zinc/94/28/78/1311942878.db2.gz PIRBGZDQNJUJHS-UHFFFAOYSA-N 2 2 332.492 2.680 20 30 EFEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001229110656 1312049596 /nfs/dbraw/zinc/04/95/96/1312049596.db2.gz QPZAVMGJBWEGCQ-QZTJIDSGSA-N 2 2 340.471 2.778 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786543 1312107427 /nfs/dbraw/zinc/10/74/27/1312107427.db2.gz PJEQNBMSFURBOJ-MOPGFXCFSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786543 1312107430 /nfs/dbraw/zinc/10/74/30/1312107430.db2.gz PJEQNBMSFURBOJ-MOPGFXCFSA-N 2 2 342.487 2.542 20 30 EFEDLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)c(C)[nH+]1 ZINC001162910710 1312202138 /nfs/dbraw/zinc/20/21/38/1312202138.db2.gz VJBOEPPSJFUXNV-UHFFFAOYSA-N 2 2 342.468 2.850 20 30 EFEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)c(Cl)cc1C#N ZINC001163125562 1312245817 /nfs/dbraw/zinc/24/58/17/1312245817.db2.gz FKFWNLHJJHBEMT-UHFFFAOYSA-N 2 2 329.235 2.538 20 30 EFEDLP CC(Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163472179 1312320017 /nfs/dbraw/zinc/32/00/17/1312320017.db2.gz WBOPVGYNPOORHK-UHFFFAOYSA-N 2 2 338.371 2.960 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473836 1312320612 /nfs/dbraw/zinc/32/06/12/1312320612.db2.gz XBZIDFMOZXLQJJ-INIZCTEOSA-N 2 2 326.444 2.937 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1 ZINC001231660967 1312543899 /nfs/dbraw/zinc/54/38/99/1312543899.db2.gz MGKREJMJYUUAMB-IBGZPJMESA-N 2 2 340.467 2.517 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1 ZINC001231660967 1312543903 /nfs/dbraw/zinc/54/39/03/1312543903.db2.gz MGKREJMJYUUAMB-IBGZPJMESA-N 2 2 340.467 2.517 20 30 EFEDLP N#Cc1ccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c(F)c1 ZINC001232017795 1312606677 /nfs/dbraw/zinc/60/66/77/1312606677.db2.gz XTBLPXNVUDZVHZ-UHFFFAOYSA-N 2 2 335.386 2.896 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001211228428 1314459565 /nfs/dbraw/zinc/45/95/65/1314459565.db2.gz BUTATCRIBJQWSC-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001211228428 1314459567 /nfs/dbraw/zinc/45/95/67/1314459567.db2.gz BUTATCRIBJQWSC-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001245991659 1314561148 /nfs/dbraw/zinc/56/11/48/1314561148.db2.gz WCVXAHFGKFDNPJ-QYZOEREBSA-N 2 2 328.541 2.971 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246209536 1314598134 /nfs/dbraw/zinc/59/81/34/1314598134.db2.gz XZDUYLTTZAPUSJ-PBHICJAKSA-N 2 2 331.460 2.528 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246209537 1314598236 /nfs/dbraw/zinc/59/82/36/1314598236.db2.gz XZDUYLTTZAPUSJ-YOEHRIQHSA-N 2 2 331.460 2.528 20 30 EFEDLP CCCCCCCCC[NH2+][C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246243068 1314601162 /nfs/dbraw/zinc/60/11/62/1314601162.db2.gz PIUVCAUXUGLVLH-CVEARBPZSA-N 2 2 327.538 2.590 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029584 1314603630 /nfs/dbraw/zinc/60/36/30/1314603630.db2.gz SYUGWWJWKLHAPW-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029584 1314603636 /nfs/dbraw/zinc/60/36/36/1314603636.db2.gz SYUGWWJWKLHAPW-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029584 1314603641 /nfs/dbraw/zinc/60/36/41/1314603641.db2.gz SYUGWWJWKLHAPW-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029584 1314603645 /nfs/dbraw/zinc/60/36/45/1314603645.db2.gz SYUGWWJWKLHAPW-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036480 1314614368 /nfs/dbraw/zinc/61/43/68/1314614368.db2.gz LQFIOGBPRJIJQG-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036480 1314614374 /nfs/dbraw/zinc/61/43/74/1314614374.db2.gz LQFIOGBPRJIJQG-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057372 1314649573 /nfs/dbraw/zinc/64/95/73/1314649573.db2.gz IPZXRSYDMOTQFF-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057372 1314649577 /nfs/dbraw/zinc/64/95/77/1314649577.db2.gz IPZXRSYDMOTQFF-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086892 1314691564 /nfs/dbraw/zinc/69/15/64/1314691564.db2.gz GICFAKSQLURYCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086892 1314691570 /nfs/dbraw/zinc/69/15/70/1314691570.db2.gz GICFAKSQLURYCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086892 1314691574 /nfs/dbraw/zinc/69/15/74/1314691574.db2.gz GICFAKSQLURYCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086892 1314691577 /nfs/dbraw/zinc/69/15/77/1314691577.db2.gz GICFAKSQLURYCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104243 1314725273 /nfs/dbraw/zinc/72/52/73/1314725273.db2.gz DCVBZWABYKXNCF-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104243 1314725277 /nfs/dbraw/zinc/72/52/77/1314725277.db2.gz DCVBZWABYKXNCF-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105399 1314727679 /nfs/dbraw/zinc/72/76/79/1314727679.db2.gz OGBQAQMRFVBILW-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105399 1314727682 /nfs/dbraw/zinc/72/76/82/1314727682.db2.gz OGBQAQMRFVBILW-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105400 1314727707 /nfs/dbraw/zinc/72/77/07/1314727707.db2.gz OGBQAQMRFVBILW-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105400 1314727713 /nfs/dbraw/zinc/72/77/13/1314727713.db2.gz OGBQAQMRFVBILW-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106087 1314728694 /nfs/dbraw/zinc/72/86/94/1314728694.db2.gz XEAHSAPOYAXZOQ-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106087 1314728698 /nfs/dbraw/zinc/72/86/98/1314728698.db2.gz XEAHSAPOYAXZOQ-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112504 1314734577 /nfs/dbraw/zinc/73/45/77/1314734577.db2.gz NLWPHMFQIGCNMR-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112504 1314734582 /nfs/dbraw/zinc/73/45/82/1314734582.db2.gz NLWPHMFQIGCNMR-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214895029 1314754346 /nfs/dbraw/zinc/75/43/46/1314754346.db2.gz XTQOAICGGVGFDV-YFHUEUNASA-N 2 2 332.492 2.920 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214895029 1314754351 /nfs/dbraw/zinc/75/43/51/1314754351.db2.gz XTQOAICGGVGFDV-YFHUEUNASA-N 2 2 332.492 2.920 20 30 EFEDLP C#CC[C@@H]([NH3+])c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001247610131 1314808269 /nfs/dbraw/zinc/80/82/69/1314808269.db2.gz VDCROBBXBROZMF-HZPDHXFCSA-N 2 2 337.358 2.631 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001054045231 1315215607 /nfs/dbraw/zinc/21/56/07/1315215607.db2.gz NNEKVOUUWVVXIM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001054045231 1315215612 /nfs/dbraw/zinc/21/56/12/1315215612.db2.gz NNEKVOUUWVVXIM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054045231 1315215617 /nfs/dbraw/zinc/21/56/17/1315215617.db2.gz NNEKVOUUWVVXIM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054045231 1315215623 /nfs/dbraw/zinc/21/56/23/1315215623.db2.gz NNEKVOUUWVVXIM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C[NH+]1CCN(c2cccc3[nH+]c(Cc4ccc(C#N)cc4)[nH]c32)CC1 ZINC001250587222 1315227530 /nfs/dbraw/zinc/22/75/30/1315227530.db2.gz CERPGASBUFHHPR-UHFFFAOYSA-N 2 2 331.423 2.777 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001054061430 1315246851 /nfs/dbraw/zinc/24/68/51/1315246851.db2.gz ZUBAOYGXKYHXJA-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001054061430 1315246855 /nfs/dbraw/zinc/24/68/55/1315246855.db2.gz ZUBAOYGXKYHXJA-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001054061430 1315246859 /nfs/dbraw/zinc/24/68/59/1315246859.db2.gz ZUBAOYGXKYHXJA-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001054061430 1315246863 /nfs/dbraw/zinc/24/68/63/1315246863.db2.gz ZUBAOYGXKYHXJA-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164848 1315396438 /nfs/dbraw/zinc/39/64/38/1315396438.db2.gz VPQLISJIGWNFFS-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164848 1315396441 /nfs/dbraw/zinc/39/64/41/1315396441.db2.gz VPQLISJIGWNFFS-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228757 1315489483 /nfs/dbraw/zinc/48/94/83/1315489483.db2.gz ZDWJXHIADROHNV-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228757 1315489487 /nfs/dbraw/zinc/48/94/87/1315489487.db2.gz ZDWJXHIADROHNV-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138220 1315525403 /nfs/dbraw/zinc/52/54/03/1315525403.db2.gz UXNRWTBXYXMEKG-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138220 1315525406 /nfs/dbraw/zinc/52/54/06/1315525406.db2.gz UXNRWTBXYXMEKG-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138220 1315525409 /nfs/dbraw/zinc/52/54/09/1315525409.db2.gz UXNRWTBXYXMEKG-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138220 1315525411 /nfs/dbraw/zinc/52/54/11/1315525411.db2.gz UXNRWTBXYXMEKG-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161904 1315560247 /nfs/dbraw/zinc/56/02/47/1315560247.db2.gz PXFZADMQJUMSAS-PKOBYXMFSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161904 1315560251 /nfs/dbraw/zinc/56/02/51/1315560251.db2.gz PXFZADMQJUMSAS-PKOBYXMFSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208319 1315621196 /nfs/dbraw/zinc/62/11/96/1315621196.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208319 1315621200 /nfs/dbraw/zinc/62/12/00/1315621200.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208319 1315621203 /nfs/dbraw/zinc/62/12/03/1315621203.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208319 1315621206 /nfs/dbraw/zinc/62/12/06/1315621206.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216973 1315635339 /nfs/dbraw/zinc/63/53/39/1315635339.db2.gz BLFMZADKVIGQRX-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216973 1315635340 /nfs/dbraw/zinc/63/53/40/1315635340.db2.gz BLFMZADKVIGQRX-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230617 1315653503 /nfs/dbraw/zinc/65/35/03/1315653503.db2.gz SAOPMHPFIOSABV-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230617 1315653507 /nfs/dbraw/zinc/65/35/07/1315653507.db2.gz SAOPMHPFIOSABV-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252005 1315683789 /nfs/dbraw/zinc/68/37/89/1315683789.db2.gz YTNSPIGNEPPRKJ-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252005 1315683791 /nfs/dbraw/zinc/68/37/91/1315683791.db2.gz YTNSPIGNEPPRKJ-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253591 1315685056 /nfs/dbraw/zinc/68/50/56/1315685056.db2.gz KWKFZMRQAAOXKQ-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253591 1315685059 /nfs/dbraw/zinc/68/50/59/1315685059.db2.gz KWKFZMRQAAOXKQ-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255671 1315686710 /nfs/dbraw/zinc/68/67/10/1315686710.db2.gz FHPISVGMKSBDGA-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255671 1315686715 /nfs/dbraw/zinc/68/67/15/1315686715.db2.gz FHPISVGMKSBDGA-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039274805 1315697471 /nfs/dbraw/zinc/69/74/71/1315697471.db2.gz KPIIMASVWSJOMZ-GOOCMWNKSA-N 2 2 336.867 2.597 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001039279128 1315698958 /nfs/dbraw/zinc/69/89/58/1315698958.db2.gz HZLGAJHXICMTQF-OOKSDGMUSA-N 2 2 342.487 2.523 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001039284351 1315701655 /nfs/dbraw/zinc/70/16/55/1315701655.db2.gz MALCSANAVWVJDL-OOKSDGMUSA-N 2 2 342.487 2.523 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001039298656 1315707419 /nfs/dbraw/zinc/70/74/19/1315707419.db2.gz BKBKIQFMKXTMFB-UYTSQGDYSA-N 2 2 328.460 2.517 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039307121 1315711149 /nfs/dbraw/zinc/71/11/49/1315711149.db2.gz AUSVFXAPVLNRDA-MQVJKMGUSA-N 2 2 330.476 2.765 20 30 EFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001039310657 1315713415 /nfs/dbraw/zinc/71/34/15/1315713415.db2.gz UJQLNVOFUPNYTM-GOOCMWNKSA-N 2 2 336.867 2.515 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CC4CC[NH+](CC4)C3)CC2)c1 ZINC001254845751 1315748964 /nfs/dbraw/zinc/74/89/64/1315748964.db2.gz RIWVHDQZBPVRNI-NRFANRHFSA-N 2 2 338.499 2.597 20 30 EFEDLP N#Cc1cccc(O[C@H]2CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863459 1315751430 /nfs/dbraw/zinc/75/14/30/1315751430.db2.gz FDFGZMTZRCRCRS-QUCCMNQESA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1cccc(O[C@H]2CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863459 1315751433 /nfs/dbraw/zinc/75/14/33/1315751433.db2.gz FDFGZMTZRCRCRS-QUCCMNQESA-N 2 2 325.456 2.886 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474730 1315817831 /nfs/dbraw/zinc/81/78/31/1315817831.db2.gz XKULAMOCIGBOFZ-SJORKVTESA-N 2 2 339.911 2.680 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474730 1315817835 /nfs/dbraw/zinc/81/78/35/1315817835.db2.gz XKULAMOCIGBOFZ-SJORKVTESA-N 2 2 339.911 2.680 20 30 EFEDLP C=C(Cl)C[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3C)cccc2C1 ZINC001051284103 1315842540 /nfs/dbraw/zinc/84/25/40/1315842540.db2.gz ZTMVENSGHWKQBC-GOSISDBHSA-N 2 2 347.890 2.508 20 30 EFEDLP C=C(Cl)C[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051284103 1315842544 /nfs/dbraw/zinc/84/25/44/1315842544.db2.gz ZTMVENSGHWKQBC-GOSISDBHSA-N 2 2 347.890 2.508 20 30 EFEDLP C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051284103 1315842548 /nfs/dbraw/zinc/84/25/48/1315842548.db2.gz ZTMVENSGHWKQBC-GOSISDBHSA-N 2 2 347.890 2.508 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051284103 1315842552 /nfs/dbraw/zinc/84/25/52/1315842552.db2.gz ZTMVENSGHWKQBC-GOSISDBHSA-N 2 2 347.890 2.508 20 30 EFEDLP CCOC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001258476914 1316153544 /nfs/dbraw/zinc/15/35/44/1316153544.db2.gz XLZUTFFKZUHQSD-INIZCTEOSA-N 2 2 343.471 2.844 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425027 1316257307 /nfs/dbraw/zinc/25/73/07/1316257307.db2.gz PKASFLSMZNEFKW-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425027 1316257309 /nfs/dbraw/zinc/25/73/09/1316257309.db2.gz PKASFLSMZNEFKW-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001040846390 1316387555 /nfs/dbraw/zinc/38/75/55/1316387555.db2.gz QRSYMPSLRMKHQR-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040867209 1316392667 /nfs/dbraw/zinc/39/26/67/1316392667.db2.gz BMHQWYXCHLLCGC-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001040876077 1316395502 /nfs/dbraw/zinc/39/55/02/1316395502.db2.gz ALIWIIAUYOBQPT-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040876077 1316395503 /nfs/dbraw/zinc/39/55/03/1316395503.db2.gz ALIWIIAUYOBQPT-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041767044 1316687913 /nfs/dbraw/zinc/68/79/13/1316687913.db2.gz DMOHLDJURXXWOT-FQEVSTJZSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041767044 1316687916 /nfs/dbraw/zinc/68/79/16/1316687916.db2.gz DMOHLDJURXXWOT-FQEVSTJZSA-N 2 2 336.439 2.596 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787433 1316699116 /nfs/dbraw/zinc/69/91/16/1316699116.db2.gz NQUUJDPKVQXRDX-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787433 1316699120 /nfs/dbraw/zinc/69/91/20/1316699120.db2.gz NQUUJDPKVQXRDX-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)c1 ZINC001308843537 1324842963 /nfs/dbraw/zinc/84/29/63/1324842963.db2.gz RQTWEKXFQDUEFD-UHFFFAOYSA-N 2 2 347.422 2.849 20 30 EFEDLP CC(C)C[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323269174 1329529237 /nfs/dbraw/zinc/52/92/37/1329529237.db2.gz LCLNGUQGWRHDOX-UHFFFAOYSA-N 2 2 332.467 2.949 20 30 EFEDLP CC(C)C[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323269174 1329529239 /nfs/dbraw/zinc/52/92/39/1329529239.db2.gz LCLNGUQGWRHDOX-UHFFFAOYSA-N 2 2 332.467 2.949 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]OCc3cccnc3)cc2F)CC1 ZINC001324219198 1329608915 /nfs/dbraw/zinc/60/89/15/1329608915.db2.gz NEJFSMIMNWGVEZ-UHFFFAOYSA-N 2 2 328.391 2.523 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001338894986 1331754335 /nfs/dbraw/zinc/75/43/35/1331754335.db2.gz CWKOTJWUFOZVMF-DLBZAZTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001338894986 1331754337 /nfs/dbraw/zinc/75/43/37/1331754337.db2.gz CWKOTJWUFOZVMF-DLBZAZTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001341697069 1332277705 /nfs/dbraw/zinc/27/77/05/1332277705.db2.gz NNXNGQQCYWKKCN-MAUKXSAKSA-N 2 2 331.460 2.702 20 30 EFEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001821458 1333553023 /nfs/dbraw/zinc/55/30/23/1333553023.db2.gz DPSVKRTXSUBHLS-INIZCTEOSA-N 2 2 330.476 2.624 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929567 1334994158 /nfs/dbraw/zinc/99/41/58/1334994158.db2.gz GZYDBTQVSXIZDD-IEBWSBKVSA-N 2 2 343.471 2.664 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929567 1334994163 /nfs/dbraw/zinc/99/41/63/1334994163.db2.gz GZYDBTQVSXIZDD-IEBWSBKVSA-N 2 2 343.471 2.664 20 30 EFEDLP C=C(Cl)C[N@@H+](CCNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001366738027 1337946325 /nfs/dbraw/zinc/94/63/25/1337946325.db2.gz ADDLQLASGCICQU-UHFFFAOYSA-N 2 2 341.908 2.756 20 30 EFEDLP C=C(Cl)C[N@H+](CCNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001366738027 1337946330 /nfs/dbraw/zinc/94/63/30/1337946330.db2.gz ADDLQLASGCICQU-UHFFFAOYSA-N 2 2 341.908 2.756 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001367075551 1338357031 /nfs/dbraw/zinc/35/70/31/1338357031.db2.gz UMWUBCAGSMOCID-MRXNPFEDSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001367075551 1338357038 /nfs/dbraw/zinc/35/70/38/1338357038.db2.gz UMWUBCAGSMOCID-MRXNPFEDSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001381303798 1348201241 /nfs/dbraw/zinc/20/12/41/1348201241.db2.gz UJZGXIDOZCAPQQ-INIZCTEOSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001381303798 1348201244 /nfs/dbraw/zinc/20/12/44/1348201244.db2.gz UJZGXIDOZCAPQQ-INIZCTEOSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001381303799 1348201294 /nfs/dbraw/zinc/20/12/94/1348201294.db2.gz UJZGXIDOZCAPQQ-MRXNPFEDSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001381303799 1348201297 /nfs/dbraw/zinc/20/12/97/1348201297.db2.gz UJZGXIDOZCAPQQ-MRXNPFEDSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001390152035 1353865873 /nfs/dbraw/zinc/86/58/73/1353865873.db2.gz ZOMULKNXRCRACZ-CQSZACIVSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001391051837 1354738405 /nfs/dbraw/zinc/73/84/05/1354738405.db2.gz IHXIOUSHXSSOQC-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001391051837 1354738412 /nfs/dbraw/zinc/73/84/12/1354738412.db2.gz IHXIOUSHXSSOQC-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001393393076 1356812776 /nfs/dbraw/zinc/81/27/76/1356812776.db2.gz XUZJHVAPWBYOKU-UONOGXRCSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001393501175 1356902704 /nfs/dbraw/zinc/90/27/04/1356902704.db2.gz ZUAZMWXWAYONMY-AWEZNQCLSA-N 2 2 346.862 2.911 20 30 EFEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001400014207 1361665974 /nfs/dbraw/zinc/66/59/74/1361665974.db2.gz WXXQEXNBMKVJEB-KRWDZBQOSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001400014207 1361665975 /nfs/dbraw/zinc/66/59/75/1361665975.db2.gz WXXQEXNBMKVJEB-KRWDZBQOSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001400014207 1361665977 /nfs/dbraw/zinc/66/59/77/1361665977.db2.gz WXXQEXNBMKVJEB-KRWDZBQOSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001400014207 1361665978 /nfs/dbraw/zinc/66/59/78/1361665978.db2.gz WXXQEXNBMKVJEB-KRWDZBQOSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001401459244 1362839982 /nfs/dbraw/zinc/83/99/82/1362839982.db2.gz CJWRCFCPIKNNRC-HZPDHXFCSA-N 2 2 346.862 2.883 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001403172259 1364393831 /nfs/dbraw/zinc/39/38/31/1364393831.db2.gz NVUGZNPSYRDMND-HNNXBMFYSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001403172259 1364393836 /nfs/dbraw/zinc/39/38/36/1364393836.db2.gz NVUGZNPSYRDMND-HNNXBMFYSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417799092 1373266889 /nfs/dbraw/zinc/26/68/89/1373266889.db2.gz PKUJUEUMZVLBNZ-ZWKOTPCHSA-N 2 2 349.906 2.665 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417799092 1373266893 /nfs/dbraw/zinc/26/68/93/1373266893.db2.gz PKUJUEUMZVLBNZ-ZWKOTPCHSA-N 2 2 349.906 2.665 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001417964644 1373463911 /nfs/dbraw/zinc/46/39/11/1373463911.db2.gz WGOCUJIBKUZOIL-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001417964644 1373463918 /nfs/dbraw/zinc/46/39/18/1373463918.db2.gz WGOCUJIBKUZOIL-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001421223051 1378304624 /nfs/dbraw/zinc/30/46/24/1378304624.db2.gz WPJMYKZSSPFPJN-QGZVFWFLSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001421223051 1378304628 /nfs/dbraw/zinc/30/46/28/1378304628.db2.gz WPJMYKZSSPFPJN-QGZVFWFLSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001421348197 1378526325 /nfs/dbraw/zinc/52/63/25/1378526325.db2.gz DGESJXBIERYKDS-MRXNPFEDSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001421348197 1378526328 /nfs/dbraw/zinc/52/63/28/1378526328.db2.gz DGESJXBIERYKDS-MRXNPFEDSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001421609635 1378878978 /nfs/dbraw/zinc/87/89/78/1378878978.db2.gz OPONEBMYAVQJSY-HNNXBMFYSA-N 2 2 346.862 2.993 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001423404823 1381912303 /nfs/dbraw/zinc/91/23/03/1381912303.db2.gz INVPMLBVKAXBMR-GXTWGEPZSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001423634355 1382200598 /nfs/dbraw/zinc/20/05/98/1382200598.db2.gz JCAGCZHUBDVORT-KRWDZBQOSA-N 2 2 332.835 2.757 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001423965710 1382561431 /nfs/dbraw/zinc/56/14/31/1382561431.db2.gz YLOMGNJZSSFQQP-GDBMZVCRSA-N 2 2 346.862 2.835 20 30 EFEDLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]Cc1ccccc1C#N ZINC001495690373 1400168739 /nfs/dbraw/zinc/16/87/39/1400168739.db2.gz CVWGEGYOQDFWJS-AWEZNQCLSA-N 2 2 347.422 2.590 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001498353351 1402031560 /nfs/dbraw/zinc/03/15/60/1402031560.db2.gz UQUFNXSPHBSZFB-OAHLLOKOSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001498353351 1402031564 /nfs/dbraw/zinc/03/15/64/1402031564.db2.gz UQUFNXSPHBSZFB-OAHLLOKOSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001499896144 1402843248 /nfs/dbraw/zinc/84/32/48/1402843248.db2.gz FDFXENWYHYGYGT-HNNXBMFYSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001502246606 1404077284 /nfs/dbraw/zinc/07/72/84/1404077284.db2.gz XHMGTUSZBULAPB-UHFFFAOYSA-N 2 2 334.851 2.789 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001502246606 1404077287 /nfs/dbraw/zinc/07/72/87/1404077287.db2.gz XHMGTUSZBULAPB-UHFFFAOYSA-N 2 2 334.851 2.789 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576003 714121530 /nfs/dbraw/zinc/12/15/30/714121530.db2.gz QBCHLSCNYDYNJD-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576003 714121532 /nfs/dbraw/zinc/12/15/32/714121532.db2.gz QBCHLSCNYDYNJD-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970927446 714144842 /nfs/dbraw/zinc/14/48/42/714144842.db2.gz FDQISSPOYGZEQC-AWEZNQCLSA-N 2 2 335.879 2.551 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632039 714207766 /nfs/dbraw/zinc/20/77/66/714207766.db2.gz FLRGBSZABIFZAT-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632039 714207769 /nfs/dbraw/zinc/20/77/69/714207769.db2.gz FLRGBSZABIFZAT-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632036 714207777 /nfs/dbraw/zinc/20/77/77/714207777.db2.gz FLRGBSZABIFZAT-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632036 714207780 /nfs/dbraw/zinc/20/77/80/714207780.db2.gz FLRGBSZABIFZAT-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633711 714210808 /nfs/dbraw/zinc/21/08/08/714210808.db2.gz SLPYSHROOPGBOU-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633711 714210811 /nfs/dbraw/zinc/21/08/11/714210811.db2.gz SLPYSHROOPGBOU-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723264 714369483 /nfs/dbraw/zinc/36/94/83/714369483.db2.gz STDJBAFNMZOZIG-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723264 714369485 /nfs/dbraw/zinc/36/94/85/714369485.db2.gz STDJBAFNMZOZIG-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723996 714371732 /nfs/dbraw/zinc/37/17/32/714371732.db2.gz HRNZEEAKHUOJDX-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723996 714371735 /nfs/dbraw/zinc/37/17/35/714371735.db2.gz HRNZEEAKHUOJDX-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001039382861 714585776 /nfs/dbraw/zinc/58/57/76/714585776.db2.gz XEVPSDLGDGTNIX-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039382861 714585780 /nfs/dbraw/zinc/58/57/80/714585780.db2.gz XEVPSDLGDGTNIX-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039382861 714585782 /nfs/dbraw/zinc/58/57/82/714585782.db2.gz XEVPSDLGDGTNIX-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039382861 714585784 /nfs/dbraw/zinc/58/57/84/714585784.db2.gz XEVPSDLGDGTNIX-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000303694226 724415518 /nfs/dbraw/zinc/41/55/18/724415518.db2.gz CSLPOEHOSHRNEB-QGZVFWFLSA-N 2 2 342.443 2.733 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485980 716028826 /nfs/dbraw/zinc/02/88/26/716028826.db2.gz PLJBOQNYIHOMBE-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485980 716028832 /nfs/dbraw/zinc/02/88/32/716028832.db2.gz PLJBOQNYIHOMBE-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485980 716028838 /nfs/dbraw/zinc/02/88/38/716028838.db2.gz PLJBOQNYIHOMBE-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485980 716028842 /nfs/dbraw/zinc/02/88/42/716028842.db2.gz PLJBOQNYIHOMBE-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370374 716394241 /nfs/dbraw/zinc/39/42/41/716394241.db2.gz KXCXBWRMDACKIP-HNNXBMFYSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370374 716394244 /nfs/dbraw/zinc/39/42/44/716394244.db2.gz KXCXBWRMDACKIP-HNNXBMFYSA-N 2 2 346.862 2.837 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514245 716570783 /nfs/dbraw/zinc/57/07/83/716570783.db2.gz JPTAIUCSMQQLMJ-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514245 716570786 /nfs/dbraw/zinc/57/07/86/716570786.db2.gz JPTAIUCSMQQLMJ-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601358 716924106 /nfs/dbraw/zinc/92/41/06/716924106.db2.gz YVCYTJQOVBSGDQ-OAHLLOKOSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601358 716924112 /nfs/dbraw/zinc/92/41/12/716924112.db2.gz YVCYTJQOVBSGDQ-OAHLLOKOSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929829 717228427 /nfs/dbraw/zinc/22/84/27/717228427.db2.gz JTRIVRUECHJEQG-SJORKVTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929829 717228429 /nfs/dbraw/zinc/22/84/29/717228429.db2.gz JTRIVRUECHJEQG-SJORKVTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929829 717228435 /nfs/dbraw/zinc/22/84/35/717228435.db2.gz JTRIVRUECHJEQG-SJORKVTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929829 717228440 /nfs/dbraw/zinc/22/84/40/717228440.db2.gz JTRIVRUECHJEQG-SJORKVTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC000979972255 717625875 /nfs/dbraw/zinc/62/58/75/717625875.db2.gz ALTFIQFGGYFHOM-RCCFBDPRSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC000979972255 717625878 /nfs/dbraw/zinc/62/58/78/717625878.db2.gz ALTFIQFGGYFHOM-RCCFBDPRSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979972490 717626133 /nfs/dbraw/zinc/62/61/33/717626133.db2.gz AZCGTGOXPJAGDZ-BHYGNILZSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979972490 717626137 /nfs/dbraw/zinc/62/61/37/717626137.db2.gz AZCGTGOXPJAGDZ-BHYGNILZSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980141999 717788038 /nfs/dbraw/zinc/78/80/38/717788038.db2.gz LRUQKKNSZZOACW-ULQDDVLXSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980141999 717788044 /nfs/dbraw/zinc/78/80/44/717788044.db2.gz LRUQKKNSZZOACW-ULQDDVLXSA-N 2 2 338.455 2.741 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024486698 717810880 /nfs/dbraw/zinc/81/08/80/717810880.db2.gz GATDDYKAQHJXHG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024486698 717810881 /nfs/dbraw/zinc/81/08/81/717810881.db2.gz GATDDYKAQHJXHG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024486698 717810883 /nfs/dbraw/zinc/81/08/83/717810883.db2.gz GATDDYKAQHJXHG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024486698 717810885 /nfs/dbraw/zinc/81/08/85/717810885.db2.gz GATDDYKAQHJXHG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024523872 717871785 /nfs/dbraw/zinc/87/17/85/717871785.db2.gz RIBDZWGBIVDESW-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024523872 717871790 /nfs/dbraw/zinc/87/17/90/717871790.db2.gz RIBDZWGBIVDESW-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523872 717871797 /nfs/dbraw/zinc/87/17/97/717871797.db2.gz RIBDZWGBIVDESW-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523872 717871801 /nfs/dbraw/zinc/87/18/01/717871801.db2.gz RIBDZWGBIVDESW-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535290 717891371 /nfs/dbraw/zinc/89/13/71/717891371.db2.gz PZGAQKCDLCQSMP-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535290 717891376 /nfs/dbraw/zinc/89/13/76/717891376.db2.gz PZGAQKCDLCQSMP-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024645430 718057467 /nfs/dbraw/zinc/05/74/67/718057467.db2.gz ADLMOQVBPYZYCT-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024645430 718057471 /nfs/dbraw/zinc/05/74/71/718057471.db2.gz ADLMOQVBPYZYCT-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981091595 718114843 /nfs/dbraw/zinc/11/48/43/718114843.db2.gz OQXWAASZKOMZTO-SJORKVTESA-N 2 2 326.444 2.849 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226502 718440211 /nfs/dbraw/zinc/44/02/11/718440211.db2.gz KDGIZPYICLCFQK-IRXDYDNUSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226502 718440213 /nfs/dbraw/zinc/44/02/13/718440213.db2.gz KDGIZPYICLCFQK-IRXDYDNUSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250959 718471985 /nfs/dbraw/zinc/47/19/85/718471985.db2.gz FTVOQEGZIRQVAE-ZWKOTPCHSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250959 718471987 /nfs/dbraw/zinc/47/19/87/718471987.db2.gz FTVOQEGZIRQVAE-ZWKOTPCHSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272386 718501151 /nfs/dbraw/zinc/50/11/51/718501151.db2.gz KZECUKFZUYKRHY-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272386 718501153 /nfs/dbraw/zinc/50/11/53/718501153.db2.gz KZECUKFZUYKRHY-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287602 718524055 /nfs/dbraw/zinc/52/40/55/718524055.db2.gz FGIQJCPHEXKCEX-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287602 718524057 /nfs/dbraw/zinc/52/40/57/718524057.db2.gz FGIQJCPHEXKCEX-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289764 718530067 /nfs/dbraw/zinc/53/00/67/718530067.db2.gz SBUDQHXDJVBNFX-RTBURBONSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289764 718530070 /nfs/dbraw/zinc/53/00/70/718530070.db2.gz SBUDQHXDJVBNFX-RTBURBONSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981539447 718798191 /nfs/dbraw/zinc/79/81/91/718798191.db2.gz WJKXZRKUIUIZKQ-DLBZAZTESA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981539447 718798192 /nfs/dbraw/zinc/79/81/92/718798192.db2.gz WJKXZRKUIUIZKQ-DLBZAZTESA-N 2 2 347.528 2.699 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420377 718799383 /nfs/dbraw/zinc/79/93/83/718799383.db2.gz AWHMVICDFJDRAN-WBVHZDCISA-N 2 2 326.444 2.659 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420377 718799385 /nfs/dbraw/zinc/79/93/85/718799385.db2.gz AWHMVICDFJDRAN-WBVHZDCISA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472927 718958423 /nfs/dbraw/zinc/95/84/23/718958423.db2.gz WDNYYFVWTATIBD-GOEBONIOSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472927 718958428 /nfs/dbraw/zinc/95/84/28/718958428.db2.gz WDNYYFVWTATIBD-GOEBONIOSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472929 718958487 /nfs/dbraw/zinc/95/84/87/718958487.db2.gz WDNYYFVWTATIBD-ZBFHGGJFSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472929 718958489 /nfs/dbraw/zinc/95/84/89/718958489.db2.gz WDNYYFVWTATIBD-ZBFHGGJFSA-N 2 2 346.862 2.917 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581275 719162835 /nfs/dbraw/zinc/16/28/35/719162835.db2.gz AZYRSCRYZMJERO-FUHWJXTLSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581275 719162836 /nfs/dbraw/zinc/16/28/36/719162836.db2.gz AZYRSCRYZMJERO-FUHWJXTLSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581276 719162885 /nfs/dbraw/zinc/16/28/85/719162885.db2.gz AZYRSCRYZMJERO-SJLPKXTDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581276 719162886 /nfs/dbraw/zinc/16/28/86/719162886.db2.gz AZYRSCRYZMJERO-SJLPKXTDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000986279225 724626341 /nfs/dbraw/zinc/62/63/41/724626341.db2.gz KAOPWNDLMOFAEA-DZGCQCFKSA-N 2 2 332.835 2.588 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335300 720384591 /nfs/dbraw/zinc/38/45/91/720384591.db2.gz RPNPWPMGAKZWQN-MRXNPFEDSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619193 721212745 /nfs/dbraw/zinc/21/27/45/721212745.db2.gz PEPWALHRTVNKOM-KRWDZBQOSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619193 721212748 /nfs/dbraw/zinc/21/27/48/721212748.db2.gz PEPWALHRTVNKOM-KRWDZBQOSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974642100 721231418 /nfs/dbraw/zinc/23/14/18/721231418.db2.gz IZELTMIVARKFAV-OAHLLOKOSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974642100 721231421 /nfs/dbraw/zinc/23/14/21/721231421.db2.gz IZELTMIVARKFAV-OAHLLOKOSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974653789 721243888 /nfs/dbraw/zinc/24/38/88/721243888.db2.gz UBZMCLJPQWYYJM-HOTGVXAUSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974653789 721243892 /nfs/dbraw/zinc/24/38/92/721243892.db2.gz UBZMCLJPQWYYJM-HOTGVXAUSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974653789 721243896 /nfs/dbraw/zinc/24/38/96/721243896.db2.gz UBZMCLJPQWYYJM-HOTGVXAUSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974653789 721243899 /nfs/dbraw/zinc/24/38/99/721243899.db2.gz UBZMCLJPQWYYJM-HOTGVXAUSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974653794 721244000 /nfs/dbraw/zinc/24/40/00/721244000.db2.gz UBZMCLJPQWYYJM-HZPDHXFCSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974653794 721244004 /nfs/dbraw/zinc/24/40/04/721244004.db2.gz UBZMCLJPQWYYJM-HZPDHXFCSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974653794 721244007 /nfs/dbraw/zinc/24/40/07/721244007.db2.gz UBZMCLJPQWYYJM-HZPDHXFCSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974653794 721244009 /nfs/dbraw/zinc/24/40/09/721244009.db2.gz UBZMCLJPQWYYJM-HZPDHXFCSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643339 724746421 /nfs/dbraw/zinc/74/64/21/724746421.db2.gz QFBJVVZILNXUFW-AWEZNQCLSA-N 2 2 336.867 2.505 20 30 EFEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643339 724746423 /nfs/dbraw/zinc/74/64/23/724746423.db2.gz QFBJVVZILNXUFW-AWEZNQCLSA-N 2 2 336.867 2.505 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894639625 722805735 /nfs/dbraw/zinc/80/57/35/722805735.db2.gz PTRZMBHOUKINHI-UHFFFAOYSA-N 2 2 329.469 2.863 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894639625 722805736 /nfs/dbraw/zinc/80/57/36/722805736.db2.gz PTRZMBHOUKINHI-UHFFFAOYSA-N 2 2 329.469 2.863 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992357635 725743955 /nfs/dbraw/zinc/74/39/55/725743955.db2.gz BRCWZDSHHBMQBT-UYAOXDASSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992357635 725743958 /nfs/dbraw/zinc/74/39/58/725743958.db2.gz BRCWZDSHHBMQBT-UYAOXDASSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992357631 725744028 /nfs/dbraw/zinc/74/40/28/725744028.db2.gz BRCWZDSHHBMQBT-ICSRJNTNSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992357631 725744032 /nfs/dbraw/zinc/74/40/32/725744032.db2.gz BRCWZDSHHBMQBT-ICSRJNTNSA-N 2 2 336.439 2.785 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000992742676 726157912 /nfs/dbraw/zinc/15/79/12/726157912.db2.gz FJJFOGIHWBRCSU-BRWVUGGUSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991121300 727123382 /nfs/dbraw/zinc/12/33/82/727123382.db2.gz SRJMIDIDUBDHSF-FXRXJOCMSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991121300 727123385 /nfs/dbraw/zinc/12/33/85/727123385.db2.gz SRJMIDIDUBDHSF-FXRXJOCMSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991121300 727123387 /nfs/dbraw/zinc/12/33/87/727123387.db2.gz SRJMIDIDUBDHSF-FXRXJOCMSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991121300 727123389 /nfs/dbraw/zinc/12/33/89/727123389.db2.gz SRJMIDIDUBDHSF-FXRXJOCMSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993402077 727208657 /nfs/dbraw/zinc/20/86/57/727208657.db2.gz YNIRRVYZWFMGIS-ZBFHGGJFSA-N 2 2 335.517 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993402077 727208659 /nfs/dbraw/zinc/20/86/59/727208659.db2.gz YNIRRVYZWFMGIS-ZBFHGGJFSA-N 2 2 335.517 2.969 20 30 EFEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccnc(C#N)c3)cc2)CC1 ZINC000911928032 727619933 /nfs/dbraw/zinc/61/99/33/727619933.db2.gz LVBYRRFRSXHWTB-UHFFFAOYSA-N 2 2 335.455 2.897 20 30 EFEDLP Cc1cccn2cc(CCNC(NC(C)(C)C)=[NH+]CC3CC3)[nH+]c12 ZINC000912505415 727719135 /nfs/dbraw/zinc/71/91/35/727719135.db2.gz DCNFEWLUSBWKMO-UHFFFAOYSA-N 2 2 327.476 2.929 20 30 EFEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C ZINC000917070440 727764067 /nfs/dbraw/zinc/76/40/67/727764067.db2.gz BIDFXSRUUITZIC-UHFFFAOYSA-N 2 2 329.488 2.536 20 30 EFEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C ZINC000917070440 727764069 /nfs/dbraw/zinc/76/40/69/727764069.db2.gz BIDFXSRUUITZIC-UHFFFAOYSA-N 2 2 329.488 2.536 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314821 728106919 /nfs/dbraw/zinc/10/69/19/728106919.db2.gz ILEYCBDOZJCPSL-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314821 728106922 /nfs/dbraw/zinc/10/69/22/728106922.db2.gz ILEYCBDOZJCPSL-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771177 728309176 /nfs/dbraw/zinc/30/91/76/728309176.db2.gz HLVXKXRFAHNMJB-GJZGRUSLSA-N 2 2 338.883 2.728 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771177 728309180 /nfs/dbraw/zinc/30/91/80/728309180.db2.gz HLVXKXRFAHNMJB-GJZGRUSLSA-N 2 2 338.883 2.728 20 30 EFEDLP C[NH+]=C(NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)NC1CC1 ZINC000183887864 728382741 /nfs/dbraw/zinc/38/27/41/728382741.db2.gz ICVVBADBXKNJRS-AWEZNQCLSA-N 2 2 328.382 2.636 20 30 EFEDLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001571393071 1086781015 /nfs/dbraw/zinc/78/10/15/1086781015.db2.gz ISQNMQRGEGNWCA-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C#N ZINC001571393422 1086781555 /nfs/dbraw/zinc/78/15/55/1086781555.db2.gz PDYSXDBRIJYYSQ-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C#CC[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[NH2+]1 ZINC001574524937 1088017774 /nfs/dbraw/zinc/01/77/74/1088017774.db2.gz APLLPNZNXSQYSG-QGZVFWFLSA-N 2 2 328.803 2.610 20 30 EFEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)CCC[NH2+]1 ZINC001574892353 1088141681 /nfs/dbraw/zinc/14/16/81/1088141681.db2.gz AWDHPTJSBUTXPP-IBGZPJMESA-N 2 2 347.528 2.653 20 30 EFEDLP COc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC001647551747 1089531842 /nfs/dbraw/zinc/53/18/42/1089531842.db2.gz AJDKOLRCPDGKOX-GOSISDBHSA-N 2 2 345.487 2.550 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203158261 1093210635 /nfs/dbraw/zinc/21/06/35/1093210635.db2.gz CYDAOGNTVDNHNY-DLBZAZTESA-N 2 2 338.455 2.931 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458490 1093231006 /nfs/dbraw/zinc/23/10/06/1093231006.db2.gz HNTLBNBBQHKGJO-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458490 1093231016 /nfs/dbraw/zinc/23/10/16/1093231016.db2.gz HNTLBNBBQHKGJO-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458489 1093231888 /nfs/dbraw/zinc/23/18/88/1093231888.db2.gz HNTLBNBBQHKGJO-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458489 1093231894 /nfs/dbraw/zinc/23/18/94/1093231894.db2.gz HNTLBNBBQHKGJO-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440365 1093243910 /nfs/dbraw/zinc/24/39/10/1093243910.db2.gz BCRCDJOSYVQEHL-FGTMMUONSA-N 2 2 346.519 2.782 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461670 1093326936 /nfs/dbraw/zinc/32/69/36/1093326936.db2.gz OAGJVLSZQPJNQA-GOSISDBHSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461670 1093326943 /nfs/dbraw/zinc/32/69/43/1093326943.db2.gz OAGJVLSZQPJNQA-GOSISDBHSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211586341 1093421859 /nfs/dbraw/zinc/42/18/59/1093421859.db2.gz LDAFCHHPZJCCJP-ZWKOTPCHSA-N 2 2 338.455 2.503 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021567 1094702486 /nfs/dbraw/zinc/70/24/86/1094702486.db2.gz VBPZTJSYILSDPA-HKUYNNGSSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021567 1094702496 /nfs/dbraw/zinc/70/24/96/1094702496.db2.gz VBPZTJSYILSDPA-HKUYNNGSSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001087306800 1095194681 /nfs/dbraw/zinc/19/46/81/1095194681.db2.gz ORJLKJUJQYYLMO-BPQIPLTHSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001087306800 1095194685 /nfs/dbraw/zinc/19/46/85/1095194685.db2.gz ORJLKJUJQYYLMO-BPQIPLTHSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087309720 1095234585 /nfs/dbraw/zinc/23/45/85/1095234585.db2.gz KTELEVLPSVQNDR-ZTFGCOKTSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087309720 1095234594 /nfs/dbraw/zinc/23/45/94/1095234594.db2.gz KTELEVLPSVQNDR-ZTFGCOKTSA-N 2 2 330.476 2.524 20 30 EFEDLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C#N ZINC001269425822 1098129612 /nfs/dbraw/zinc/12/96/12/1098129612.db2.gz UNMBLRFUXWUYEW-QGZVFWFLSA-N 2 2 347.422 2.733 20 30 EFEDLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C#N ZINC001269425821 1098129925 /nfs/dbraw/zinc/12/99/25/1098129925.db2.gz UNMBLRFUXWUYEW-KRWDZBQOSA-N 2 2 347.422 2.733 20 30 EFEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836418 1098720168 /nfs/dbraw/zinc/72/01/68/1098720168.db2.gz KYZSCOAAWTWURK-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104839474 1098732402 /nfs/dbraw/zinc/73/24/02/1098732402.db2.gz BPTOAQWQSCTYTJ-IAGOWNOFSA-N 2 2 334.508 2.997 20 30 EFEDLP C[NH+]1CCC2(C[NH+](Cc3cc(C#N)ccc3Br)C2)CC1 ZINC001141662590 1100195113 /nfs/dbraw/zinc/19/51/13/1100195113.db2.gz SFSPAKXMGQHOFA-UHFFFAOYSA-N 2 2 334.261 2.848 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749397 1100726897 /nfs/dbraw/zinc/72/68/97/1100726897.db2.gz JGTKBUUPDMWHIU-BBWFWOEESA-N 2 2 341.927 2.971 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749397 1100726902 /nfs/dbraw/zinc/72/69/02/1100726902.db2.gz JGTKBUUPDMWHIU-BBWFWOEESA-N 2 2 341.927 2.971 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749397 1100726906 /nfs/dbraw/zinc/72/69/06/1100726906.db2.gz JGTKBUUPDMWHIU-BBWFWOEESA-N 2 2 341.927 2.971 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749397 1100726908 /nfs/dbraw/zinc/72/69/08/1100726908.db2.gz JGTKBUUPDMWHIU-BBWFWOEESA-N 2 2 341.927 2.971 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315025 1101636699 /nfs/dbraw/zinc/63/66/99/1101636699.db2.gz GPACOLSBBSRGNN-QBPKDAKJSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315025 1101636708 /nfs/dbraw/zinc/63/67/08/1101636708.db2.gz GPACOLSBBSRGNN-QBPKDAKJSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345652 1101964517 /nfs/dbraw/zinc/96/45/17/1101964517.db2.gz MVVSBAIORUMYDR-SJLPKXTDSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503464 1101980095 /nfs/dbraw/zinc/98/00/95/1101980095.db2.gz RGHVSBYSXNSZRT-HBFSDRIKSA-N 2 2 344.503 2.846 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567464 1104583180 /nfs/dbraw/zinc/58/31/80/1104583180.db2.gz PVGMAKDMGXFLJP-WBVHZDCISA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567464 1104583193 /nfs/dbraw/zinc/58/31/93/1104583193.db2.gz PVGMAKDMGXFLJP-WBVHZDCISA-N 2 2 326.444 2.802 20 30 EFEDLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001666573473 1104964248 /nfs/dbraw/zinc/96/42/48/1104964248.db2.gz NJPNXEDQWZFDFH-AWEZNQCLSA-N 2 2 347.422 2.590 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105533119 1105896618 /nfs/dbraw/zinc/89/66/18/1105896618.db2.gz YYCPSUBSECRUDN-INIZCTEOSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105533120 1105896908 /nfs/dbraw/zinc/89/69/08/1105896908.db2.gz YYCPSUBSECRUDN-MRXNPFEDSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551986 1105924933 /nfs/dbraw/zinc/92/49/33/1105924933.db2.gz SSSAGACMXWREHL-KRWDZBQOSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105568039 1105946814 /nfs/dbraw/zinc/94/68/14/1105946814.db2.gz DLILIIGUQBYNCW-SJLPKXTDSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105568039 1105946820 /nfs/dbraw/zinc/94/68/20/1105946820.db2.gz DLILIIGUQBYNCW-SJLPKXTDSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000989721986 1106591608 /nfs/dbraw/zinc/59/16/08/1106591608.db2.gz BMQNASSVJPKDFI-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000989721986 1106591611 /nfs/dbraw/zinc/59/16/11/1106591611.db2.gz BMQNASSVJPKDFI-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000989721986 1106591614 /nfs/dbraw/zinc/59/16/14/1106591614.db2.gz BMQNASSVJPKDFI-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000989721986 1106591617 /nfs/dbraw/zinc/59/16/17/1106591617.db2.gz BMQNASSVJPKDFI-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896965 1106947510 /nfs/dbraw/zinc/94/75/10/1106947510.db2.gz LHDLIJQUNFEQJY-PMPSAXMXSA-N 2 2 327.900 2.582 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148498 1108225100 /nfs/dbraw/zinc/22/51/00/1108225100.db2.gz DVEWFRVIEGUUBS-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148498 1108225114 /nfs/dbraw/zinc/22/51/14/1108225114.db2.gz DVEWFRVIEGUUBS-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP CCCCCCC[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272478341 1108451229 /nfs/dbraw/zinc/45/12/29/1108451229.db2.gz IMUOWWGVUBKLAA-IBGZPJMESA-N 2 2 332.492 2.920 20 30 EFEDLP CCCCCCC[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272478341 1108451233 /nfs/dbraw/zinc/45/12/33/1108451233.db2.gz IMUOWWGVUBKLAA-IBGZPJMESA-N 2 2 332.492 2.920 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990707597 1108822774 /nfs/dbraw/zinc/82/27/74/1108822774.db2.gz CRQZDHDLNHVDJZ-PXNSSMCTSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990707597 1108822784 /nfs/dbraw/zinc/82/27/84/1108822784.db2.gz CRQZDHDLNHVDJZ-PXNSSMCTSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363778 1109194444 /nfs/dbraw/zinc/19/44/44/1109194444.db2.gz VGVRKNLNBAMGKQ-INIZCTEOSA-N 2 2 328.460 2.636 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168366066 1109493484 /nfs/dbraw/zinc/49/34/84/1109493484.db2.gz BIUPFXMMFWOLFO-GOSISDBHSA-N 2 2 344.503 2.527 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417464 1109820920 /nfs/dbraw/zinc/82/09/20/1109820920.db2.gz FLQBZHIZBGGPNZ-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417464 1109820924 /nfs/dbraw/zinc/82/09/24/1109820924.db2.gz FLQBZHIZBGGPNZ-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168462810 1111078159 /nfs/dbraw/zinc/07/81/59/1111078159.db2.gz GPOFDMXNLKAURL-QGZVFWFLSA-N 2 2 332.492 2.894 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224427 1111173892 /nfs/dbraw/zinc/17/38/92/1111173892.db2.gz XSAAMGCUJLPRNG-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224427 1111173896 /nfs/dbraw/zinc/17/38/96/1111173896.db2.gz XSAAMGCUJLPRNG-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307264 1111377757 /nfs/dbraw/zinc/37/77/57/1111377757.db2.gz IIXQOQQSGQTKAH-SOLBZPMBSA-N 2 2 346.519 2.965 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948060734 1111378373 /nfs/dbraw/zinc/37/83/73/1111378373.db2.gz IWBUJOKPZILSPR-NVXWUHKLSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000948060734 1111378376 /nfs/dbraw/zinc/37/83/76/1111378376.db2.gz IWBUJOKPZILSPR-NVXWUHKLSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948060734 1111378379 /nfs/dbraw/zinc/37/83/79/1111378379.db2.gz IWBUJOKPZILSPR-NVXWUHKLSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000948060734 1111378383 /nfs/dbraw/zinc/37/83/83/1111378383.db2.gz IWBUJOKPZILSPR-NVXWUHKLSA-N 2 2 347.528 2.651 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106309772 1111397506 /nfs/dbraw/zinc/39/75/06/1111397506.db2.gz FGRRITHXNWNYGH-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416983 1112093926 /nfs/dbraw/zinc/09/39/26/1112093926.db2.gz SZIUMQPMCOVABD-KRWDZBQOSA-N 2 2 344.503 2.557 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416983 1112093929 /nfs/dbraw/zinc/09/39/29/1112093929.db2.gz SZIUMQPMCOVABD-KRWDZBQOSA-N 2 2 344.503 2.557 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416459 1112095426 /nfs/dbraw/zinc/09/54/26/1112095426.db2.gz MHSINUQGXADQSX-QGZVFWFLSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416459 1112095430 /nfs/dbraw/zinc/09/54/30/1112095430.db2.gz MHSINUQGXADQSX-QGZVFWFLSA-N 2 2 345.487 2.816 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420740 1112100729 /nfs/dbraw/zinc/10/07/29/1112100729.db2.gz ODLYBPRFAXJEIX-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420740 1112100730 /nfs/dbraw/zinc/10/07/30/1112100730.db2.gz ODLYBPRFAXJEIX-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423844 1112109295 /nfs/dbraw/zinc/10/92/95/1112109295.db2.gz PDMAINHPQAHGSW-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423844 1112109298 /nfs/dbraw/zinc/10/92/98/1112109298.db2.gz PDMAINHPQAHGSW-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089541460 1112282589 /nfs/dbraw/zinc/28/25/89/1112282589.db2.gz KMRMZADHTJAVKA-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089541460 1112282593 /nfs/dbraw/zinc/28/25/93/1112282593.db2.gz KMRMZADHTJAVKA-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548760 1112294579 /nfs/dbraw/zinc/29/45/79/1112294579.db2.gz QDDLYRCQEDDLMJ-MRXNPFEDSA-N 2 2 332.492 2.834 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548760 1112294586 /nfs/dbraw/zinc/29/45/86/1112294586.db2.gz QDDLYRCQEDDLMJ-MRXNPFEDSA-N 2 2 332.492 2.834 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089660922 1112608985 /nfs/dbraw/zinc/60/89/85/1112608985.db2.gz RVPCBUKHUMXBJA-HNNXBMFYSA-N 2 2 348.491 2.533 20 30 EFEDLP C=CCCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001272700302 1118455683 /nfs/dbraw/zinc/45/56/83/1118455683.db2.gz VAFMMBPOWNDETL-GOSISDBHSA-N 2 2 344.503 2.885 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582337 1118991207 /nfs/dbraw/zinc/99/12/07/1118991207.db2.gz XVOZDGMIWFTXLF-SWLSCSKDSA-N 2 2 339.867 2.534 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582337 1118991209 /nfs/dbraw/zinc/99/12/09/1118991209.db2.gz XVOZDGMIWFTXLF-SWLSCSKDSA-N 2 2 339.867 2.534 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000181418372 234178566 /nfs/dbraw/zinc/17/85/66/234178566.db2.gz RVKWCBUCMNJPTQ-UHFFFAOYSA-N 3 2 326.488 2.598 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000069982847 215656526 /nfs/dbraw/zinc/65/65/26/215656526.db2.gz KTTXVZPKVBOCLW-QZTJIDSGSA-N 2 2 326.488 2.549 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262519706 240358286 /nfs/dbraw/zinc/35/82/86/240358286.db2.gz QJTXRKXFUQRWJH-ARFHVFGLSA-N 2 2 346.523 2.510 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130489454 223156632 /nfs/dbraw/zinc/15/66/32/223156632.db2.gz SWJOFHVBOBGXMD-UHFFFAOYSA-N 2 2 345.472 2.702 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130489454 223156634 /nfs/dbraw/zinc/15/66/34/223156634.db2.gz SWJOFHVBOBGXMD-UHFFFAOYSA-N 2 2 345.472 2.702 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000193356280 240097168 /nfs/dbraw/zinc/09/71/68/240097168.db2.gz YHACJTDXQRBSHE-XUVXKRRUSA-N 2 2 327.472 2.949 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000193356280 240097173 /nfs/dbraw/zinc/09/71/73/240097173.db2.gz YHACJTDXQRBSHE-XUVXKRRUSA-N 2 2 327.472 2.949 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246292259 240266518 /nfs/dbraw/zinc/26/65/18/240266518.db2.gz AYOXEXUSGUROJI-CVEARBPZSA-N 2 2 335.517 2.535 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246292259 240266521 /nfs/dbraw/zinc/26/65/21/240266521.db2.gz AYOXEXUSGUROJI-CVEARBPZSA-N 2 2 335.517 2.535 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247987814 240286383 /nfs/dbraw/zinc/28/63/83/240286383.db2.gz IZZDKHGDADZATJ-IHPCNDPISA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247987814 240286387 /nfs/dbraw/zinc/28/63/87/240286387.db2.gz IZZDKHGDADZATJ-IHPCNDPISA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247987814 240286388 /nfs/dbraw/zinc/28/63/88/240286388.db2.gz IZZDKHGDADZATJ-IHPCNDPISA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247987814 240286392 /nfs/dbraw/zinc/28/63/92/240286392.db2.gz IZZDKHGDADZATJ-IHPCNDPISA-N 2 2 341.499 2.664 20 30 EFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N(C)CCc1cccs1 ZINC000261820960 240326802 /nfs/dbraw/zinc/32/68/02/240326802.db2.gz UMAJKWHNRHIJEZ-UHFFFAOYSA-N 2 2 331.489 2.531 20 30 EFEDLP C[C@@H](NC(=[NH2+])NCc1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000262339614 240347132 /nfs/dbraw/zinc/34/71/32/240347132.db2.gz CGGCQQRSTGABRF-SECBINFHSA-N 2 2 326.231 2.892 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000264060578 240399277 /nfs/dbraw/zinc/39/92/77/240399277.db2.gz COMQISZXVGGGCK-QGZVFWFLSA-N 2 2 330.407 2.864 20 30 EFEDLP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)([NH+](C)C)C1 ZINC000328885729 241262278 /nfs/dbraw/zinc/26/22/78/241262278.db2.gz ZHOMTSNKNBYGMC-GJYPPUQNSA-N 2 2 347.507 2.634 20 30 EFEDLP C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)[NH+]1CCCCCC1 ZINC000329217934 241327273 /nfs/dbraw/zinc/32/72/73/241327273.db2.gz RCLBMCUDHACIJP-BFYDXBDKSA-N 2 2 334.464 2.861 20 30 EFEDLP Cc1oc(C(C)C)nc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329085509 241300028 /nfs/dbraw/zinc/30/00/28/241300028.db2.gz UJGONDKQELDFID-UHFFFAOYSA-N 2 2 348.491 2.970 20 30 EFEDLP O=C(NCCNc1cccc[nH+]1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329291437 241344079 /nfs/dbraw/zinc/34/40/79/241344079.db2.gz NLNLULHPYWQBDN-OAHLLOKOSA-N 2 2 334.489 2.668 20 30 EFEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000356927178 242085374 /nfs/dbraw/zinc/08/53/74/242085374.db2.gz UPOXAJJNYPHULU-INIZCTEOSA-N 2 2 329.444 2.704 20 30 EFEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000356927178 242085378 /nfs/dbraw/zinc/08/53/78/242085378.db2.gz UPOXAJJNYPHULU-INIZCTEOSA-N 2 2 329.444 2.704 20 30 EFEDLP C=CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741536 244318165 /nfs/dbraw/zinc/31/81/65/244318165.db2.gz MORFSDSFRNYOOU-DOTOQJQBSA-N 2 2 328.464 2.585 20 30 EFEDLP C=CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741536 244318171 /nfs/dbraw/zinc/31/81/71/244318171.db2.gz MORFSDSFRNYOOU-DOTOQJQBSA-N 2 2 328.464 2.585 20 30 EFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000449525028 251053708 /nfs/dbraw/zinc/05/37/08/251053708.db2.gz QIMKGAMBUNFPPV-PXNSSMCTSA-N 2 2 340.471 2.891 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246313754 285037547 /nfs/dbraw/zinc/03/75/47/285037547.db2.gz GGAHBFIRWZYKBM-CEXWTWQISA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246313754 285037549 /nfs/dbraw/zinc/03/75/49/285037549.db2.gz GGAHBFIRWZYKBM-CEXWTWQISA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246313754 285037551 /nfs/dbraw/zinc/03/75/51/285037551.db2.gz GGAHBFIRWZYKBM-CEXWTWQISA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246313754 285037555 /nfs/dbraw/zinc/03/75/55/285037555.db2.gz GGAHBFIRWZYKBM-CEXWTWQISA-N 2 2 348.535 2.581 20 30 EFEDLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)cc1C#N ZINC000344148666 145379689 /nfs/dbraw/zinc/37/96/89/145379689.db2.gz DNXNZNLAPDYCGF-UHFFFAOYSA-N 2 2 332.467 2.547 20 30 EFEDLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)cc1C#N ZINC000344148666 145379691 /nfs/dbraw/zinc/37/96/91/145379691.db2.gz DNXNZNLAPDYCGF-UHFFFAOYSA-N 2 2 332.467 2.547 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174383 145384942 /nfs/dbraw/zinc/38/49/42/145384942.db2.gz QRQNDBBBXHTOLE-OXQOHEQNSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174383 145384943 /nfs/dbraw/zinc/38/49/43/145384943.db2.gz QRQNDBBBXHTOLE-OXQOHEQNSA-N 3 2 326.488 2.595 20 30 EFEDLP N#Cc1ccc2ncc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)n2c1 ZINC000355700778 147038043 /nfs/dbraw/zinc/03/80/43/147038043.db2.gz DHJSLOAZCBSEST-UHFFFAOYSA-N 2 2 328.379 2.681 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289334 149116819 /nfs/dbraw/zinc/11/68/19/149116819.db2.gz JJAMIYGWJXFCCE-LEWJYISDSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289334 149116823 /nfs/dbraw/zinc/11/68/23/149116823.db2.gz JJAMIYGWJXFCCE-LEWJYISDSA-N 3 2 338.499 2.739 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373105846 151114545 /nfs/dbraw/zinc/11/45/45/151114545.db2.gz ZXEBNKHCGYBSCP-MRXNPFEDSA-N 2 2 340.427 2.559 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373105846 151114547 /nfs/dbraw/zinc/11/45/47/151114547.db2.gz ZXEBNKHCGYBSCP-MRXNPFEDSA-N 2 2 340.427 2.559 20 30 EFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874350 266153442 /nfs/dbraw/zinc/15/34/42/266153442.db2.gz SUUJLMQMPBBNTL-XJKSGUPXSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874350 266153445 /nfs/dbraw/zinc/15/34/45/266153445.db2.gz SUUJLMQMPBBNTL-XJKSGUPXSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874350 266153449 /nfs/dbraw/zinc/15/34/49/266153449.db2.gz SUUJLMQMPBBNTL-XJKSGUPXSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874350 266153453 /nfs/dbraw/zinc/15/34/53/266153453.db2.gz SUUJLMQMPBBNTL-XJKSGUPXSA-N 2 2 348.878 2.955 20 30 EFEDLP C[NH+]1CCC(C)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000272503225 266584375 /nfs/dbraw/zinc/58/43/75/266584375.db2.gz FCJKQPGLOVJKFJ-UHFFFAOYSA-N 3 2 340.515 2.844 20 30 EFEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000271890228 267115132 /nfs/dbraw/zinc/11/51/32/267115132.db2.gz RSEHUBXWAPNSBB-HXUWFJFHSA-N 2 2 339.439 2.613 20 30 EFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000295034927 267183035 /nfs/dbraw/zinc/18/30/35/267183035.db2.gz OYDGEMHHJJWFAN-HRAATJIYSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000295034927 267183036 /nfs/dbraw/zinc/18/30/36/267183036.db2.gz OYDGEMHHJJWFAN-HRAATJIYSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864096 267183207 /nfs/dbraw/zinc/18/32/07/267183207.db2.gz USLDNLGAVVYKDA-HRAATJIYSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864096 267183211 /nfs/dbraw/zinc/18/32/11/267183211.db2.gz USLDNLGAVVYKDA-HRAATJIYSA-N 2 2 335.451 2.628 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)CC3CCC3)CC2)cc1 ZINC000279785328 268065799 /nfs/dbraw/zinc/06/57/99/268065799.db2.gz LUHHRTUPBGZRBO-HXUWFJFHSA-N 2 2 327.472 2.663 20 30 EFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000269433023 268072754 /nfs/dbraw/zinc/07/27/54/268072754.db2.gz QAAAKAPODIHYAQ-MOPGFXCFSA-N 2 2 331.435 2.555 20 30 EFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000269433030 268073154 /nfs/dbraw/zinc/07/31/54/268073154.db2.gz QAAAKAPODIHYAQ-RTBURBONSA-N 2 2 331.435 2.555 20 30 EFEDLP CC[NH+]=C(NCc1ccc(C)nc1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160095726 275803538 /nfs/dbraw/zinc/80/35/38/275803538.db2.gz FSBIKQWDBDGVDY-YJBOKZPZSA-N 2 2 340.475 2.635 20 30 EFEDLP CCNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000264135305 276145419 /nfs/dbraw/zinc/14/54/19/276145419.db2.gz ZIXYYPBVMFKGSJ-MRXNPFEDSA-N 2 2 328.485 2.772 20 30 EFEDLP CCNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000264135305 276145420 /nfs/dbraw/zinc/14/54/20/276145420.db2.gz ZIXYYPBVMFKGSJ-MRXNPFEDSA-N 2 2 328.485 2.772 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267237026 277857529 /nfs/dbraw/zinc/85/75/29/277857529.db2.gz LYSLPDDDCMPUHE-WIYYLYMNSA-N 2 2 343.515 2.688 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(C)[nH+]1 ZINC000331248617 301183480 /nfs/dbraw/zinc/18/34/80/301183480.db2.gz XDZQNAMFHOGFKI-QGZVFWFLSA-N 2 2 347.507 2.605 20 30 EFEDLP C[N@H+](Cc1ccc(C#N)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000568659891 319306463 /nfs/dbraw/zinc/30/64/63/319306463.db2.gz MKZMYZPEHYTSMQ-UHFFFAOYSA-N 2 2 326.366 2.802 20 30 EFEDLP C[N@@H+](Cc1ccc(C#N)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000568659891 319306464 /nfs/dbraw/zinc/30/64/64/319306464.db2.gz MKZMYZPEHYTSMQ-UHFFFAOYSA-N 2 2 326.366 2.802 20 30 EFEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000572364651 319662376 /nfs/dbraw/zinc/66/23/76/319662376.db2.gz HHXYQVLAXQJSOK-OAHLLOKOSA-N 2 2 348.454 2.820 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000137460746 473206388 /nfs/dbraw/zinc/20/63/88/473206388.db2.gz KFMMWTYKFODNIA-INIZCTEOSA-N 2 2 345.487 2.573 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000087171628 472313169 /nfs/dbraw/zinc/31/31/69/472313169.db2.gz VOXAGNAENAOLRH-LBPRGKRZSA-N 2 2 348.882 2.566 20 30 EFEDLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000116396958 472399292 /nfs/dbraw/zinc/39/92/92/472399292.db2.gz FZEADYCLSHFGED-YOEHRIQHSA-N 2 2 330.476 2.841 20 30 EFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC1 ZINC000089870277 472529703 /nfs/dbraw/zinc/52/97/03/472529703.db2.gz ABSFHRCUQNKDEO-UHFFFAOYSA-N 2 2 336.439 2.734 20 30 EFEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148401 472638497 /nfs/dbraw/zinc/63/84/97/472638497.db2.gz KTXJXMYHNURQNK-GOSISDBHSA-N 2 2 349.482 2.713 20 30 EFEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148401 472638499 /nfs/dbraw/zinc/63/84/99/472638499.db2.gz KTXJXMYHNURQNK-GOSISDBHSA-N 2 2 349.482 2.713 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156561626 472724333 /nfs/dbraw/zinc/72/43/33/472724333.db2.gz NMGUDVLXVGKVRY-VKJFTORMSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156561626 472724338 /nfs/dbraw/zinc/72/43/38/472724338.db2.gz NMGUDVLXVGKVRY-VKJFTORMSA-N 2 2 337.427 2.665 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965691 472747367 /nfs/dbraw/zinc/74/73/67/472747367.db2.gz HBSSQOJMOIIIOM-RBUKOAKNSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965691 472747373 /nfs/dbraw/zinc/74/73/73/472747373.db2.gz HBSSQOJMOIIIOM-RBUKOAKNSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965691 472747377 /nfs/dbraw/zinc/74/73/77/472747377.db2.gz HBSSQOJMOIIIOM-RBUKOAKNSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965691 472747381 /nfs/dbraw/zinc/74/73/81/472747381.db2.gz HBSSQOJMOIIIOM-RBUKOAKNSA-N 2 2 335.536 2.997 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152479714 473566818 /nfs/dbraw/zinc/56/68/18/473566818.db2.gz IWPLKGROXRDDNF-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152479714 473566824 /nfs/dbraw/zinc/56/68/24/473566824.db2.gz IWPLKGROXRDDNF-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152479714 473566828 /nfs/dbraw/zinc/56/68/28/473566828.db2.gz IWPLKGROXRDDNF-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152479714 473566832 /nfs/dbraw/zinc/56/68/32/473566832.db2.gz IWPLKGROXRDDNF-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000152956610 473601827 /nfs/dbraw/zinc/60/18/27/473601827.db2.gz GTZABQZPUJTDLV-UHFFFAOYSA-N 3 2 328.504 2.676 20 30 EFEDLP C[NH+]=C(NCCSC(F)(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179225608 473658213 /nfs/dbraw/zinc/65/82/13/473658213.db2.gz HFBVNTOQPQRDJY-NWDGAFQWSA-N 2 2 349.426 2.594 20 30 EFEDLP C[C@@H](NC(=[NH2+])NCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000263242438 473746425 /nfs/dbraw/zinc/74/64/25/473746425.db2.gz LQZMHRKAPHPIBD-SNVBAGLBSA-N 2 2 326.231 2.855 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000269618712 473845257 /nfs/dbraw/zinc/84/52/57/473845257.db2.gz DLIAZLGZEYVKEQ-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000269618712 473845260 /nfs/dbraw/zinc/84/52/60/473845260.db2.gz DLIAZLGZEYVKEQ-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cn2ccccc2[nH+]1)C(C)C ZINC000263780933 473845400 /nfs/dbraw/zinc/84/54/00/473845400.db2.gz VNHYJZMJTZTYCS-SFHVURJKSA-N 2 2 340.471 2.692 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000180698739 473944641 /nfs/dbraw/zinc/94/46/41/473944641.db2.gz VNOSROSDQLHSNX-MRXNPFEDSA-N 2 2 336.524 2.589 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000288691322 474024107 /nfs/dbraw/zinc/02/41/07/474024107.db2.gz TXEGZNWDWVFISX-UHFFFAOYSA-N 2 2 342.399 2.536 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247625239 474190274 /nfs/dbraw/zinc/19/02/74/474190274.db2.gz NMGUDVLXVGKVRY-RVKKMQEKSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247625239 474190280 /nfs/dbraw/zinc/19/02/80/474190280.db2.gz NMGUDVLXVGKVRY-RVKKMQEKSA-N 2 2 337.427 2.665 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000265828693 474352187 /nfs/dbraw/zinc/35/21/87/474352187.db2.gz CGXIXEILSBJTFH-NHCUHLMSSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000265828693 474352194 /nfs/dbraw/zinc/35/21/94/474352194.db2.gz CGXIXEILSBJTFH-NHCUHLMSSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000265828696 474352850 /nfs/dbraw/zinc/35/28/50/474352850.db2.gz CGXIXEILSBJTFH-SFTDATJTSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000265828696 474352858 /nfs/dbraw/zinc/35/28/58/474352858.db2.gz CGXIXEILSBJTFH-SFTDATJTSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000265884878 474373523 /nfs/dbraw/zinc/37/35/23/474373523.db2.gz PMBNFDKVUARHFR-RTWAWAEBSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000265884878 474373530 /nfs/dbraw/zinc/37/35/30/474373530.db2.gz PMBNFDKVUARHFR-RTWAWAEBSA-N 2 2 335.451 2.531 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183562785 474394097 /nfs/dbraw/zinc/39/40/97/474394097.db2.gz AQZFKPOSJKAYPI-NRFANRHFSA-N 2 2 343.515 2.608 20 30 EFEDLP CO[C@H](CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000283472629 474412984 /nfs/dbraw/zinc/41/29/84/474412984.db2.gz SNVJJESWCGNLRN-GOSISDBHSA-N 2 2 327.428 2.773 20 30 EFEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891449 474443056 /nfs/dbraw/zinc/44/30/56/474443056.db2.gz SUFPXANCLGBHLB-AWEZNQCLSA-N 2 2 328.382 2.789 20 30 EFEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279496 474479759 /nfs/dbraw/zinc/47/97/59/474479759.db2.gz FLAWKCPFKOYFJV-OALUTQOASA-N 2 2 341.503 2.608 20 30 EFEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279496 474479766 /nfs/dbraw/zinc/47/97/66/474479766.db2.gz FLAWKCPFKOYFJV-OALUTQOASA-N 2 2 341.503 2.608 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000266934623 474535918 /nfs/dbraw/zinc/53/59/18/474535918.db2.gz PLKOZHUSPZXKJX-TZMCWYRMSA-N 2 2 341.415 2.698 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000266934623 474535926 /nfs/dbraw/zinc/53/59/26/474535926.db2.gz PLKOZHUSPZXKJX-TZMCWYRMSA-N 2 2 341.415 2.698 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000249387438 474565439 /nfs/dbraw/zinc/56/54/39/474565439.db2.gz RHNOMIFEBQOQHB-LPHOPBHVSA-N 2 2 345.487 2.793 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000249387438 474565445 /nfs/dbraw/zinc/56/54/45/474565445.db2.gz RHNOMIFEBQOQHB-LPHOPBHVSA-N 2 2 345.487 2.793 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271618361 474583251 /nfs/dbraw/zinc/58/32/51/474583251.db2.gz DLTMXGSDPHEUHC-INIZCTEOSA-N 2 2 346.500 2.870 20 30 EFEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000267113297 474593667 /nfs/dbraw/zinc/59/36/67/474593667.db2.gz RTNGDJJCAPLPSL-SFHVURJKSA-N 2 2 332.517 2.563 20 30 EFEDLP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271831715 474595417 /nfs/dbraw/zinc/59/54/17/474595417.db2.gz FDRFPAMQAAUEEZ-HXUWFJFHSA-N 2 2 349.482 2.923 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258186 480132098 /nfs/dbraw/zinc/13/20/98/480132098.db2.gz OCPBMCMVTOSFKN-DZGCQCFKSA-N 2 2 341.415 2.629 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258186 480132103 /nfs/dbraw/zinc/13/21/03/480132103.db2.gz OCPBMCMVTOSFKN-DZGCQCFKSA-N 2 2 341.415 2.629 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Br)c(C)nn2C)CC1 ZINC000279073979 474958400 /nfs/dbraw/zinc/95/84/00/474958400.db2.gz GJRKITDMBGPXIU-UHFFFAOYSA-N 2 2 341.297 2.621 20 30 EFEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000341119406 474993026 /nfs/dbraw/zinc/99/30/26/474993026.db2.gz CDFZCXBWZAJFEY-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285524700 475027269 /nfs/dbraw/zinc/02/72/69/475027269.db2.gz PHFMPQCCJQVLAI-UHFFFAOYSA-N 2 2 328.391 2.746 20 30 EFEDLP C[NH+](CCC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)Cc1ccco1 ZINC000285793208 475041261 /nfs/dbraw/zinc/04/12/61/475041261.db2.gz UUEVBYDVBOEBOH-IBGZPJMESA-N 2 2 327.428 2.639 20 30 EFEDLP C[NH+](CCC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1)Cc1ccco1 ZINC000285793208 475041269 /nfs/dbraw/zinc/04/12/69/475041269.db2.gz UUEVBYDVBOEBOH-IBGZPJMESA-N 2 2 327.428 2.639 20 30 EFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)c1ccc(C#N)cc1 ZINC000285793208 475041274 /nfs/dbraw/zinc/04/12/74/475041274.db2.gz UUEVBYDVBOEBOH-IBGZPJMESA-N 2 2 327.428 2.639 20 30 EFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)c1ccc(C#N)cc1 ZINC000285793208 475041278 /nfs/dbraw/zinc/04/12/78/475041278.db2.gz UUEVBYDVBOEBOH-IBGZPJMESA-N 2 2 327.428 2.639 20 30 EFEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccco1 ZINC000286112056 475052563 /nfs/dbraw/zinc/05/25/63/475052563.db2.gz NSTNBLSADXAWFB-DLBZAZTESA-N 2 2 333.476 2.819 20 30 EFEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccco1 ZINC000286112056 475052572 /nfs/dbraw/zinc/05/25/72/475052572.db2.gz NSTNBLSADXAWFB-DLBZAZTESA-N 2 2 333.476 2.819 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542100 475072198 /nfs/dbraw/zinc/07/21/98/475072198.db2.gz ARCQWOGUBZZJNT-LJQANCHMSA-N 3 2 341.499 2.519 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542100 475072206 /nfs/dbraw/zinc/07/22/06/475072206.db2.gz ARCQWOGUBZZJNT-LJQANCHMSA-N 3 2 341.499 2.519 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000294862907 475088772 /nfs/dbraw/zinc/08/87/72/475088772.db2.gz CBYJUIZHVCHBIO-LLVKDONJSA-N 2 2 328.229 2.589 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000294862907 475088781 /nfs/dbraw/zinc/08/87/81/475088781.db2.gz CBYJUIZHVCHBIO-LLVKDONJSA-N 2 2 328.229 2.589 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCCCC#N ZINC000292686226 475151072 /nfs/dbraw/zinc/15/10/72/475151072.db2.gz BACGYZAMTOOOTG-HXUWFJFHSA-N 2 2 343.471 2.905 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCCCC#N ZINC000292686226 475151081 /nfs/dbraw/zinc/15/10/81/475151081.db2.gz BACGYZAMTOOOTG-HXUWFJFHSA-N 2 2 343.471 2.905 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCCCC#N ZINC000292686226 475151088 /nfs/dbraw/zinc/15/10/88/475151088.db2.gz BACGYZAMTOOOTG-HXUWFJFHSA-N 2 2 343.471 2.905 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCCCC#N ZINC000292686226 475151098 /nfs/dbraw/zinc/15/10/98/475151098.db2.gz BACGYZAMTOOOTG-HXUWFJFHSA-N 2 2 343.471 2.905 20 30 EFEDLP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287567876 475198204 /nfs/dbraw/zinc/19/82/04/475198204.db2.gz QLMRSDXOIDNVQC-QFBILLFUSA-N 2 2 327.472 2.785 20 30 EFEDLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330104394 475199361 /nfs/dbraw/zinc/19/93/61/475199361.db2.gz HMPIQUDBDPVKTH-HNNXBMFYSA-N 2 2 345.491 2.910 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC1CC[NH+](CC)CC1 ZINC000330159155 475206446 /nfs/dbraw/zinc/20/64/46/475206446.db2.gz QRMANWUEDSXOLR-INIZCTEOSA-N 2 2 333.480 2.828 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000330245240 475217697 /nfs/dbraw/zinc/21/76/97/475217697.db2.gz DQQFKPBPKHFEKL-ZBFHGGJFSA-N 2 2 333.480 2.827 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000330245240 475217703 /nfs/dbraw/zinc/21/77/03/475217703.db2.gz DQQFKPBPKHFEKL-ZBFHGGJFSA-N 2 2 333.480 2.827 20 30 EFEDLP CCOCC[N@@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC000331226576 475325051 /nfs/dbraw/zinc/32/50/51/475325051.db2.gz CQVSBTMJACIUHJ-QGZVFWFLSA-N 2 2 348.491 2.985 20 30 EFEDLP CCOCC[N@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC000331226576 475325058 /nfs/dbraw/zinc/32/50/58/475325058.db2.gz CQVSBTMJACIUHJ-QGZVFWFLSA-N 2 2 348.491 2.985 20 30 EFEDLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000331318124 475339568 /nfs/dbraw/zinc/33/95/68/475339568.db2.gz JUDAGZYMBKOLEF-INIZCTEOSA-N 2 2 334.464 2.595 20 30 EFEDLP C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000348271155 475548145 /nfs/dbraw/zinc/54/81/45/475548145.db2.gz LPEURKDOONCODV-RHSMWYFYSA-N 2 2 348.410 2.888 20 30 EFEDLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000348271155 475548151 /nfs/dbraw/zinc/54/81/51/475548151.db2.gz LPEURKDOONCODV-RHSMWYFYSA-N 2 2 348.410 2.888 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000355306134 475813568 /nfs/dbraw/zinc/81/35/68/475813568.db2.gz IKLRCKGADYMROE-MSOLQXFVSA-N 2 2 348.535 2.722 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000355306134 475813578 /nfs/dbraw/zinc/81/35/78/475813578.db2.gz IKLRCKGADYMROE-MSOLQXFVSA-N 2 2 348.535 2.722 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000355306141 475814127 /nfs/dbraw/zinc/81/41/27/475814127.db2.gz IKLRCKGADYMROE-ZWKOTPCHSA-N 2 2 348.535 2.722 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000355306141 475814132 /nfs/dbraw/zinc/81/41/32/475814132.db2.gz IKLRCKGADYMROE-ZWKOTPCHSA-N 2 2 348.535 2.722 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744544 476055302 /nfs/dbraw/zinc/05/53/02/476055302.db2.gz MYNZKDJRXDPGGA-GHTZIAJQSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744544 476055309 /nfs/dbraw/zinc/05/53/09/476055309.db2.gz MYNZKDJRXDPGGA-GHTZIAJQSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355744544 476055318 /nfs/dbraw/zinc/05/53/18/476055318.db2.gz MYNZKDJRXDPGGA-GHTZIAJQSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355744544 476055327 /nfs/dbraw/zinc/05/53/27/476055327.db2.gz MYNZKDJRXDPGGA-GHTZIAJQSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000356223774 476092293 /nfs/dbraw/zinc/09/22/93/476092293.db2.gz UBBDGKRCJCKFPK-UHFFFAOYSA-N 2 2 333.520 2.799 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343810403 476115590 /nfs/dbraw/zinc/11/55/90/476115590.db2.gz CLWPZOACMFOTGX-IAGOWNOFSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343810403 476115597 /nfs/dbraw/zinc/11/55/97/476115597.db2.gz CLWPZOACMFOTGX-IAGOWNOFSA-N 2 2 336.524 2.541 20 30 EFEDLP Cc1sc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C#N)c1C ZINC000377993937 476667536 /nfs/dbraw/zinc/66/75/36/476667536.db2.gz KIFCUYXBFJOBLV-UHFFFAOYSA-N 2 2 343.456 2.709 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430625836 476883459 /nfs/dbraw/zinc/88/34/59/476883459.db2.gz LIWPRJXDRFHBIR-JKSUJKDBSA-N 2 2 335.517 2.583 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430625836 476883466 /nfs/dbraw/zinc/88/34/66/476883466.db2.gz LIWPRJXDRFHBIR-JKSUJKDBSA-N 2 2 335.517 2.583 20 30 EFEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000424131989 477302714 /nfs/dbraw/zinc/30/27/14/477302714.db2.gz JUORDGKIQAFAFM-KRWDZBQOSA-N 2 2 337.427 2.846 20 30 EFEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000424134044 477303377 /nfs/dbraw/zinc/30/33/77/477303377.db2.gz KGIQJFYLOLTKQD-CQSZACIVSA-N 2 2 325.416 2.722 20 30 EFEDLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424145652 477308573 /nfs/dbraw/zinc/30/85/73/477308573.db2.gz NYMMODWXJIHFHT-PBHICJAKSA-N 2 2 348.878 2.566 20 30 EFEDLP CCc1[nH+]c2cc(CNC(=O)[C@H]([NH3+])CCCC#N)ccc2n1C1CC1 ZINC000424183891 477320943 /nfs/dbraw/zinc/32/09/43/477320943.db2.gz KPQFBEGHVZIPFB-OAHLLOKOSA-N 2 2 339.443 2.571 20 30 EFEDLP CC1(C#N)CCC([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000449109465 477444109 /nfs/dbraw/zinc/44/41/09/477444109.db2.gz WZEBBJFKQOFMEQ-UHFFFAOYSA-N 3 2 341.503 2.656 20 30 EFEDLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000367370888 477477284 /nfs/dbraw/zinc/47/72/84/477477284.db2.gz NBIHJCOXUNEULS-HXUWFJFHSA-N 2 2 348.450 2.585 20 30 EFEDLP Cn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000376759947 477491614 /nfs/dbraw/zinc/49/16/14/477491614.db2.gz XURPMRAXDAAAOS-UHFFFAOYSA-N 2 2 346.438 2.781 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420389776 477740926 /nfs/dbraw/zinc/74/09/26/477740926.db2.gz YTUYDUGENZHWIN-GJZGRUSLSA-N 2 2 333.501 2.820 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420389776 477740935 /nfs/dbraw/zinc/74/09/35/477740935.db2.gz YTUYDUGENZHWIN-GJZGRUSLSA-N 2 2 333.501 2.820 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000515404061 477819410 /nfs/dbraw/zinc/81/94/10/477819410.db2.gz HNKMIFZGADPYQM-SVFBPWRDSA-N 3 2 338.499 2.500 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000515404060 477819425 /nfs/dbraw/zinc/81/94/25/477819425.db2.gz HNKMIFZGADPYQM-SFHLNBCPSA-N 3 2 338.499 2.500 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(C)(C)CCC#N)c2cc1C ZINC000557799573 477824007 /nfs/dbraw/zinc/82/40/07/477824007.db2.gz BMTOHQSPGNEMIY-INIZCTEOSA-N 2 2 328.460 2.934 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462261 477980427 /nfs/dbraw/zinc/98/04/27/477980427.db2.gz ORTTYAQJRZJVNQ-KBAYOESNSA-N 2 2 333.863 2.895 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462261 477980435 /nfs/dbraw/zinc/98/04/35/477980435.db2.gz ORTTYAQJRZJVNQ-KBAYOESNSA-N 2 2 333.863 2.895 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000421373715 478062418 /nfs/dbraw/zinc/06/24/18/478062418.db2.gz MWWQGGDZPMBFMQ-UHFFFAOYSA-N 2 2 332.517 2.612 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000421373715 478062426 /nfs/dbraw/zinc/06/24/26/478062426.db2.gz MWWQGGDZPMBFMQ-UHFFFAOYSA-N 2 2 332.517 2.612 20 30 EFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000451685654 478156406 /nfs/dbraw/zinc/15/64/06/478156406.db2.gz XTTRPWYTBPWMKU-UXHICEINSA-N 2 2 329.488 2.522 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCn3cc[nH+]c3)CC2)cc1 ZINC000538397221 478356775 /nfs/dbraw/zinc/35/67/75/478356775.db2.gz VJQCTFXXEDFGPA-UHFFFAOYSA-N 3 2 337.471 2.789 20 30 EFEDLP N#Cc1ccc(CN2CCC([NH2+]CCCCn3cc[nH+]c3)CC2)cc1 ZINC000538397221 478356780 /nfs/dbraw/zinc/35/67/80/478356780.db2.gz VJQCTFXXEDFGPA-UHFFFAOYSA-N 2 2 337.471 2.789 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000525858720 478396949 /nfs/dbraw/zinc/39/69/49/478396949.db2.gz XUHZSODHSDVMFV-BBPFYFEFSA-N 2 2 340.471 2.858 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000525858720 478396953 /nfs/dbraw/zinc/39/69/53/478396953.db2.gz XUHZSODHSDVMFV-BBPFYFEFSA-N 2 2 340.471 2.858 20 30 EFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594521377 478424462 /nfs/dbraw/zinc/42/44/62/478424462.db2.gz QIMDHWCSVBTRCY-QUCCMNQESA-N 2 2 325.456 2.779 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000527657477 478464577 /nfs/dbraw/zinc/46/45/77/478464577.db2.gz RCLBGLPDTIGTGT-UHFFFAOYSA-N 2 2 331.489 2.674 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000491426299 478543937 /nfs/dbraw/zinc/54/39/37/478543937.db2.gz FVJLYZYWCKDEME-ZDUSSCGKSA-N 2 2 342.306 2.901 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000491426299 478543940 /nfs/dbraw/zinc/54/39/40/478543940.db2.gz FVJLYZYWCKDEME-ZDUSSCGKSA-N 2 2 342.306 2.901 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000591763868 478623136 /nfs/dbraw/zinc/62/31/36/478623136.db2.gz ORXNRIHTJOBHBL-FPOVZHCZSA-N 2 2 335.451 2.628 20 30 EFEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000591763868 478623144 /nfs/dbraw/zinc/62/31/44/478623144.db2.gz ORXNRIHTJOBHBL-FPOVZHCZSA-N 2 2 335.451 2.628 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496783043 478693811 /nfs/dbraw/zinc/69/38/11/478693811.db2.gz YJXYSJAHFKVLHM-OAHLLOKOSA-N 2 2 325.497 2.920 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c1 ZINC000583458858 478858342 /nfs/dbraw/zinc/85/83/42/478858342.db2.gz XKFHVRHZPHPUOX-QGZVFWFLSA-N 2 2 347.378 2.657 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c1 ZINC000583458858 478858349 /nfs/dbraw/zinc/85/83/49/478858349.db2.gz XKFHVRHZPHPUOX-QGZVFWFLSA-N 2 2 347.378 2.657 20 30 EFEDLP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592375512 478873657 /nfs/dbraw/zinc/87/36/57/478873657.db2.gz SLLXNSUJZGFKRK-UZLBHIALSA-N 2 2 329.488 2.909 20 30 EFEDLP N#CC[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000595623433 478897114 /nfs/dbraw/zinc/89/71/14/478897114.db2.gz PGXSXKQBGCYTCY-IBGZPJMESA-N 2 2 326.488 2.824 20 30 EFEDLP N#CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000595623433 478897123 /nfs/dbraw/zinc/89/71/23/478897123.db2.gz PGXSXKQBGCYTCY-IBGZPJMESA-N 2 2 326.488 2.824 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000598722117 478991092 /nfs/dbraw/zinc/99/10/92/478991092.db2.gz ZFEYIWQLGJKQOD-MRXNPFEDSA-N 2 2 339.549 2.628 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000598728368 478994519 /nfs/dbraw/zinc/99/45/19/478994519.db2.gz QYZFZOWFTPERLP-CYBMUJFWSA-N 2 2 332.835 2.916 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000566126399 479085627 /nfs/dbraw/zinc/08/56/27/479085627.db2.gz ZANMNMRMPUKKBU-HLIPFELVSA-N 2 2 343.471 2.585 20 30 EFEDLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322628 479295279 /nfs/dbraw/zinc/29/52/79/479295279.db2.gz OGRMXBDVQJRVPD-UZLBHIALSA-N 3 2 326.488 2.643 20 30 EFEDLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322625 479295448 /nfs/dbraw/zinc/29/54/48/479295448.db2.gz OGRMXBDVQJRVPD-JXFKEZNVSA-N 3 2 326.488 2.643 20 30 EFEDLP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000593324708 479296149 /nfs/dbraw/zinc/29/61/49/479296149.db2.gz YSIKPKZGYVTGPF-VQTJNVASSA-N 2 2 326.488 2.772 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000593516450 479373679 /nfs/dbraw/zinc/37/36/79/479373679.db2.gz ZMROGQIDHQFIBC-UHFFFAOYSA-N 2 2 331.423 2.933 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000602518992 479379095 /nfs/dbraw/zinc/37/90/95/479379095.db2.gz CQMAPYPWXGTGML-KRWDZBQOSA-N 2 2 342.487 2.735 20 30 EFEDLP N#CCC1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000602598624 479417197 /nfs/dbraw/zinc/41/71/97/479417197.db2.gz YDYCZYCAYBFFBH-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCCOC1 ZINC000593695030 479426189 /nfs/dbraw/zinc/42/61/89/479426189.db2.gz FVHXFLDPYHMJKT-LPHOPBHVSA-N 2 2 327.472 2.927 20 30 EFEDLP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701598 479428895 /nfs/dbraw/zinc/42/88/95/479428895.db2.gz GQOLCUQFTXHEOD-QGZVFWFLSA-N 2 2 337.471 2.788 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703220 479429597 /nfs/dbraw/zinc/42/95/97/479429597.db2.gz QXEQWLXAHWQRBK-KKSFZXQISA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703220 479429600 /nfs/dbraw/zinc/42/96/00/479429600.db2.gz QXEQWLXAHWQRBK-KKSFZXQISA-N 2 2 338.499 2.595 20 30 EFEDLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593720064 479433617 /nfs/dbraw/zinc/43/36/17/479433617.db2.gz FVMDULFFVQCMJX-FQEVSTJZSA-N 2 2 349.482 2.923 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1 ZINC000593721227 479434012 /nfs/dbraw/zinc/43/40/12/479434012.db2.gz KWFLEGVSJJVKRT-KRWDZBQOSA-N 3 2 340.515 2.843 20 30 EFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccn(C)n1 ZINC000593723680 479435659 /nfs/dbraw/zinc/43/56/59/479435659.db2.gz XVQSPKCJYSELJQ-LJQANCHMSA-N 2 2 337.471 2.997 20 30 EFEDLP C[N@H+](Cc1cccc(C#N)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602685645 479475299 /nfs/dbraw/zinc/47/52/99/479475299.db2.gz JQCGHTBALRUBSN-UHFFFAOYSA-N 2 2 326.366 2.802 20 30 EFEDLP C[N@@H+](Cc1cccc(C#N)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602685645 479475304 /nfs/dbraw/zinc/47/53/04/479475304.db2.gz JQCGHTBALRUBSN-UHFFFAOYSA-N 2 2 326.366 2.802 20 30 EFEDLP COc1ccc([C@H](CNc2cc(C)[nH+]cc2C#N)[NH+]2CCCC2)cc1 ZINC000575863245 479490675 /nfs/dbraw/zinc/49/06/75/479490675.db2.gz ZQJJGXHFOJRRTC-FQEVSTJZSA-N 2 2 336.439 2.941 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000576696151 479582644 /nfs/dbraw/zinc/58/26/44/479582644.db2.gz DSPZTERANHBTNG-QZTJIDSGSA-N 2 2 341.455 2.519 20 30 EFEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000577056832 479587827 /nfs/dbraw/zinc/58/78/27/479587827.db2.gz WTVQCGNCYCBXFP-SFHVURJKSA-N 2 2 349.438 2.644 20 30 EFEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000577056832 479587832 /nfs/dbraw/zinc/58/78/32/479587832.db2.gz WTVQCGNCYCBXFP-SFHVURJKSA-N 2 2 349.438 2.644 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@](C)(C#N)C3)c2cc1C ZINC000612164781 479604223 /nfs/dbraw/zinc/60/42/23/479604223.db2.gz JCEVMSVRSDWESY-APWZRJJASA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@](C)(C#N)C3)c2cc1C ZINC000612164781 479604230 /nfs/dbraw/zinc/60/42/30/479604230.db2.gz JCEVMSVRSDWESY-APWZRJJASA-N 2 2 326.444 2.640 20 30 EFEDLP C=CCCOCCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193070 480180097 /nfs/dbraw/zinc/18/00/97/480180097.db2.gz AHTAGDSSKQOXBB-UHFFFAOYSA-N 2 2 346.475 2.535 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000610368784 480291713 /nfs/dbraw/zinc/29/17/13/480291713.db2.gz OMZIVJNUVYBLHS-INIZCTEOSA-N 2 2 334.383 2.642 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000610368784 480291720 /nfs/dbraw/zinc/29/17/20/480291720.db2.gz OMZIVJNUVYBLHS-INIZCTEOSA-N 2 2 334.383 2.642 20 30 EFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000610542731 480333411 /nfs/dbraw/zinc/33/34/11/480333411.db2.gz IUWVYMYWUCNUIX-AWEZNQCLSA-N 2 2 343.456 2.709 20 30 EFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000610542731 480333416 /nfs/dbraw/zinc/33/34/16/480333416.db2.gz IUWVYMYWUCNUIX-AWEZNQCLSA-N 2 2 343.456 2.709 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853447 482180931 /nfs/dbraw/zinc/18/09/31/482180931.db2.gz YJDOSVLWJIRQLE-AWEZNQCLSA-N 2 2 326.444 2.508 20 30 EFEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000367701181 534414026 /nfs/dbraw/zinc/41/40/26/534414026.db2.gz FPMZYHFFPCQYAJ-MRXNPFEDSA-N 2 2 327.428 2.852 20 30 EFEDLP C=CCc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000367701181 534414033 /nfs/dbraw/zinc/41/40/33/534414033.db2.gz FPMZYHFFPCQYAJ-MRXNPFEDSA-N 2 2 327.428 2.852 20 30 EFEDLP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181805235 526359501 /nfs/dbraw/zinc/35/95/01/526359501.db2.gz CNMOWINPCHKXEN-UHFFFAOYSA-N 2 2 343.471 2.844 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000181803741 526609815 /nfs/dbraw/zinc/60/98/15/526609815.db2.gz FFMFIICYZLFEKO-UYAOXDASSA-N 2 2 327.472 2.663 20 30 EFEDLP CC1(C)[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2CCO[C@@H]21 ZINC000181800733 527827598 /nfs/dbraw/zinc/82/75/98/527827598.db2.gz ZSGJYQPFKSKGQF-AABGKKOBSA-N 2 2 339.483 2.926 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000181183884 528665185 /nfs/dbraw/zinc/66/51/85/528665185.db2.gz AOPGMESYAPSYOB-DNVCBOLYSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000181183884 528665188 /nfs/dbraw/zinc/66/51/88/528665188.db2.gz AOPGMESYAPSYOB-DNVCBOLYSA-N 2 2 333.451 2.924 20 30 EFEDLP CC[NH+]=C(NCCc1ccco1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160100851 528808496 /nfs/dbraw/zinc/80/84/96/528808496.db2.gz QVWNUEQITFCULU-DOTOQJQBSA-N 2 2 329.448 2.567 20 30 EFEDLP CC[NH+]=C(NCc1ccc(C)nc1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160095596 528817027 /nfs/dbraw/zinc/81/70/27/528817027.db2.gz FSBIKQWDBDGVDY-CRAIPNDOSA-N 2 2 340.475 2.635 20 30 EFEDLP CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262624980 535338209 /nfs/dbraw/zinc/33/82/09/535338209.db2.gz DIAAIVXZJBPHDJ-FUHWJXTLSA-N 2 2 343.475 2.956 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000328868032 536111178 /nfs/dbraw/zinc/11/11/78/536111178.db2.gz ONZCFRJQPLWJEY-MRXNPFEDSA-N 2 2 347.507 2.778 20 30 EFEDLP C[NH+](C)C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)Cc2ccccc2C1 ZINC000328932582 536112358 /nfs/dbraw/zinc/11/23/58/536112358.db2.gz DMJRQUDXSPIYQD-OAHLLOKOSA-N 2 2 338.455 2.501 20 30 EFEDLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329809046 545840791 /nfs/dbraw/zinc/84/07/91/545840791.db2.gz BZFZLJIZGZANAQ-HNNXBMFYSA-N 2 2 333.480 2.513 20 30 EFEDLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329809046 545840797 /nfs/dbraw/zinc/84/07/97/545840797.db2.gz BZFZLJIZGZANAQ-HNNXBMFYSA-N 2 2 333.480 2.513 20 30 EFEDLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000329849084 545841990 /nfs/dbraw/zinc/84/19/90/545841990.db2.gz PVJWNFUVVHCWKM-UHFFFAOYSA-N 2 2 345.491 2.802 20 30 EFEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000353522012 546060655 /nfs/dbraw/zinc/06/06/55/546060655.db2.gz TWMGPVHGOBDDGK-KRWDZBQOSA-N 2 2 333.476 2.819 20 30 EFEDLP C=CCN(CC=C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655688412 546533380 /nfs/dbraw/zinc/53/33/80/546533380.db2.gz ZYYKKIKMUJAHBN-VQTJNVASSA-N 2 2 335.536 2.528 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nn1 ZINC000657354651 547128106 /nfs/dbraw/zinc/12/81/06/547128106.db2.gz UNJQRRBGZJNIIR-IBGZPJMESA-N 2 2 339.487 2.508 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000657354651 547128111 /nfs/dbraw/zinc/12/81/11/547128111.db2.gz UNJQRRBGZJNIIR-IBGZPJMESA-N 2 2 339.487 2.508 20 30 EFEDLP CCN(CC)c1ccc(C=[NH+]NC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1F ZINC000753937226 575362922 /nfs/dbraw/zinc/36/29/22/575362922.db2.gz WXBFLBFNXYVECZ-IYBDPMFKSA-N 2 2 331.439 2.866 20 30 EFEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cccc4ccccc43)cn2)CC1 ZINC000755681344 575617962 /nfs/dbraw/zinc/61/79/62/575617962.db2.gz WVIVYCNTRKMXJI-UHFFFAOYSA-N 2 2 346.438 2.828 20 30 EFEDLP C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000755790827 575635460 /nfs/dbraw/zinc/63/54/60/575635460.db2.gz ONKWLGQUCUHCMU-HNNXBMFYSA-N 2 2 327.428 2.852 20 30 EFEDLP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000755790827 575635463 /nfs/dbraw/zinc/63/54/63/575635463.db2.gz ONKWLGQUCUHCMU-HNNXBMFYSA-N 2 2 327.428 2.852 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCOCc2ccccc2)cc1 ZINC000758763732 575877151 /nfs/dbraw/zinc/87/71/51/575877151.db2.gz QFEAPZZMTLYMIG-UHFFFAOYSA-N 2 2 341.455 2.992 20 30 EFEDLP c1cn(-c2ccc(N=NC3CCCC[C@H]3[NH+]3CCCCC3)nn2)c[nH+]1 ZINC000761832310 576216708 /nfs/dbraw/zinc/21/67/08/576216708.db2.gz ZHMONTQRBXSMNL-MRXNPFEDSA-N 2 2 339.447 2.859 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000764935731 576526190 /nfs/dbraw/zinc/52/61/90/576526190.db2.gz TYWBUQNFHVXFQW-IBGZPJMESA-N 2 2 325.456 2.694 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000764935731 576526192 /nfs/dbraw/zinc/52/61/92/576526192.db2.gz TYWBUQNFHVXFQW-IBGZPJMESA-N 2 2 325.456 2.694 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2 ZINC000764935731 576526193 /nfs/dbraw/zinc/52/61/93/576526193.db2.gz TYWBUQNFHVXFQW-IBGZPJMESA-N 2 2 325.456 2.694 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2 ZINC000764935731 576526195 /nfs/dbraw/zinc/52/61/95/576526195.db2.gz TYWBUQNFHVXFQW-IBGZPJMESA-N 2 2 325.456 2.694 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cnnc4ccccc43)cc2)CC1 ZINC000771561140 581222787 /nfs/dbraw/zinc/22/27/87/581222787.db2.gz SBCXPEVKSARNHD-UHFFFAOYSA-N 2 2 346.438 2.828 20 30 EFEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755886643 1251729298 /nfs/dbraw/zinc/72/92/98/1251729298.db2.gz OAXQRAPVGJBZIJ-UHFFFAOYSA-N 2 2 339.911 2.752 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755886643 1251729303 /nfs/dbraw/zinc/72/93/03/1251729303.db2.gz OAXQRAPVGJBZIJ-UHFFFAOYSA-N 2 2 339.911 2.752 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354159 1252066301 /nfs/dbraw/zinc/06/63/01/1252066301.db2.gz NLZVOURXCZUYLE-HNNXBMFYSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354159 1252066310 /nfs/dbraw/zinc/06/63/10/1252066310.db2.gz NLZVOURXCZUYLE-HNNXBMFYSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354159 1252066319 /nfs/dbraw/zinc/06/63/19/1252066319.db2.gz NLZVOURXCZUYLE-HNNXBMFYSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354159 1252066327 /nfs/dbraw/zinc/06/63/27/1252066327.db2.gz NLZVOURXCZUYLE-HNNXBMFYSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001484768553 1252977085 /nfs/dbraw/zinc/97/70/85/1252977085.db2.gz BDMUYGDKYJSMBG-KRWDZBQOSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001484768553 1252977106 /nfs/dbraw/zinc/97/71/06/1252977106.db2.gz BDMUYGDKYJSMBG-KRWDZBQOSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC000995820757 1254773364 /nfs/dbraw/zinc/77/33/64/1254773364.db2.gz IAIUSVDNYSNJKV-MRXNPFEDSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1(C)C ZINC000996667936 1255690174 /nfs/dbraw/zinc/69/01/74/1255690174.db2.gz XEQXCCQRNDWVMT-QGZVFWFLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CC1(C)C ZINC000996667936 1255690177 /nfs/dbraw/zinc/69/01/77/1255690177.db2.gz XEQXCCQRNDWVMT-QGZVFWFLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997187359 1257232547 /nfs/dbraw/zinc/23/25/47/1257232547.db2.gz NYNCZCSXKGWMNP-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997298954 1257370149 /nfs/dbraw/zinc/37/01/49/1257370149.db2.gz TYFBIZZXHZNNIC-ZBFHGGJFSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000997587926 1258067890 /nfs/dbraw/zinc/06/78/90/1258067890.db2.gz WKZCDUOUFBIWOZ-HNNXBMFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997643939 1258152131 /nfs/dbraw/zinc/15/21/31/1258152131.db2.gz GXNYXQKIIBGPOO-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997643925 1258152453 /nfs/dbraw/zinc/15/24/53/1258152453.db2.gz GXNYXQKIIBGPOO-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997748051 1258349431 /nfs/dbraw/zinc/34/94/31/1258349431.db2.gz MDVSTSSSLPYHCY-HOCLYGCPSA-N 2 2 330.476 2.622 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998044112 1259009973 /nfs/dbraw/zinc/00/99/73/1259009973.db2.gz FJAPWPCJGBGHMO-QGZVFWFLSA-N 2 2 338.455 2.903 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998044112 1259009979 /nfs/dbraw/zinc/00/99/79/1259009979.db2.gz FJAPWPCJGBGHMO-QGZVFWFLSA-N 2 2 338.455 2.903 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998042533 1259012835 /nfs/dbraw/zinc/01/28/35/1259012835.db2.gz WAWSOVOHIAMSOH-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998042533 1259012840 /nfs/dbraw/zinc/01/28/40/1259012840.db2.gz WAWSOVOHIAMSOH-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998042533 1259012843 /nfs/dbraw/zinc/01/28/43/1259012843.db2.gz WAWSOVOHIAMSOH-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998042533 1259012851 /nfs/dbraw/zinc/01/28/51/1259012851.db2.gz WAWSOVOHIAMSOH-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998042753 1259013891 /nfs/dbraw/zinc/01/38/91/1259013891.db2.gz ALNCRYWYFOZZHY-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998042753 1259013894 /nfs/dbraw/zinc/01/38/94/1259013894.db2.gz ALNCRYWYFOZZHY-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004210519 1266228339 /nfs/dbraw/zinc/22/83/39/1266228339.db2.gz WLSFPCUVVLXMHK-UHFFFAOYSA-N 2 2 335.879 2.695 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998065854 1259061118 /nfs/dbraw/zinc/06/11/18/1259061118.db2.gz XWSSTVAWBFCRBV-KRWDZBQOSA-N 2 2 338.455 2.674 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998065854 1259061125 /nfs/dbraw/zinc/06/11/25/1259061125.db2.gz XWSSTVAWBFCRBV-KRWDZBQOSA-N 2 2 338.455 2.674 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117876 1259128296 /nfs/dbraw/zinc/12/82/96/1259128296.db2.gz UPZPHKIVWYPPKY-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117876 1259128301 /nfs/dbraw/zinc/12/83/01/1259128301.db2.gz UPZPHKIVWYPPKY-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001272879255 1261224513 /nfs/dbraw/zinc/22/45/13/1261224513.db2.gz ORVSBERSLILNGY-RTBURBONSA-N 2 2 336.439 2.624 20 30 EFEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001272879255 1261224515 /nfs/dbraw/zinc/22/45/15/1261224515.db2.gz ORVSBERSLILNGY-RTBURBONSA-N 2 2 336.439 2.624 20 30 EFEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001078655866 1262108092 /nfs/dbraw/zinc/10/80/92/1262108092.db2.gz BCMLZYJDUSKTJI-JKSUJKDBSA-N 2 2 330.476 2.520 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029322 1264975140 /nfs/dbraw/zinc/97/51/40/1264975140.db2.gz YGFXDKUOYKQKHB-RYRKJORJSA-N 2 2 342.487 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029322 1264975146 /nfs/dbraw/zinc/97/51/46/1264975146.db2.gz YGFXDKUOYKQKHB-RYRKJORJSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(-c2ccncc2)cc[nH+]1 ZINC001171068247 1278287805 /nfs/dbraw/zinc/28/78/05/1278287805.db2.gz KYRKMHZTFPNPMY-KRWDZBQOSA-N 2 2 340.427 2.782 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004423962 1266967168 /nfs/dbraw/zinc/96/71/68/1266967168.db2.gz DSNRUTKTDABYNC-QGZVFWFLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004423962 1266967176 /nfs/dbraw/zinc/96/71/76/1266967176.db2.gz DSNRUTKTDABYNC-QGZVFWFLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004455780 1267082587 /nfs/dbraw/zinc/08/25/87/1267082587.db2.gz AXPUTNFOJGAHRH-ZHALLVOQSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004455780 1267082598 /nfs/dbraw/zinc/08/25/98/1267082598.db2.gz AXPUTNFOJGAHRH-ZHALLVOQSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004455780 1267082609 /nfs/dbraw/zinc/08/26/09/1267082609.db2.gz AXPUTNFOJGAHRH-ZHALLVOQSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004455780 1267082620 /nfs/dbraw/zinc/08/26/20/1267082620.db2.gz AXPUTNFOJGAHRH-ZHALLVOQSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458642 1267092899 /nfs/dbraw/zinc/09/28/99/1267092899.db2.gz OJTRAOSPFLVOQQ-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458642 1267092913 /nfs/dbraw/zinc/09/29/13/1267092913.db2.gz OJTRAOSPFLVOQQ-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458642 1267092920 /nfs/dbraw/zinc/09/29/20/1267092920.db2.gz OJTRAOSPFLVOQQ-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458642 1267092933 /nfs/dbraw/zinc/09/29/33/1267092933.db2.gz OJTRAOSPFLVOQQ-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490693 1267144692 /nfs/dbraw/zinc/14/46/92/1267144692.db2.gz RSBMSONOJJAIPZ-QGZVFWFLSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490693 1267144694 /nfs/dbraw/zinc/14/46/94/1267144694.db2.gz RSBMSONOJJAIPZ-QGZVFWFLSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490692 1267144885 /nfs/dbraw/zinc/14/48/85/1267144885.db2.gz RSBMSONOJJAIPZ-KRWDZBQOSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001004490692 1267144889 /nfs/dbraw/zinc/14/48/89/1267144889.db2.gz RSBMSONOJJAIPZ-KRWDZBQOSA-N 2 2 338.455 2.837 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004571916 1267308124 /nfs/dbraw/zinc/30/81/24/1267308124.db2.gz XHHQRMZSUOUDJP-MJGOQNOKSA-N 2 2 342.487 2.561 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004571916 1267308127 /nfs/dbraw/zinc/30/81/27/1267308127.db2.gz XHHQRMZSUOUDJP-MJGOQNOKSA-N 2 2 342.487 2.561 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004575933 1267313848 /nfs/dbraw/zinc/31/38/48/1267313848.db2.gz BENIAVFZWDQYEE-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004575933 1267313857 /nfs/dbraw/zinc/31/38/57/1267313857.db2.gz BENIAVFZWDQYEE-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004575933 1267313862 /nfs/dbraw/zinc/31/38/62/1267313862.db2.gz BENIAVFZWDQYEE-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004575933 1267313873 /nfs/dbraw/zinc/31/38/73/1267313873.db2.gz BENIAVFZWDQYEE-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581002 1267328019 /nfs/dbraw/zinc/32/80/19/1267328019.db2.gz RVVQHOAJNIECAV-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581002 1267328029 /nfs/dbraw/zinc/32/80/29/1267328029.db2.gz RVVQHOAJNIECAV-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581002 1267328036 /nfs/dbraw/zinc/32/80/36/1267328036.db2.gz RVVQHOAJNIECAV-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581002 1267328044 /nfs/dbraw/zinc/32/80/44/1267328044.db2.gz RVVQHOAJNIECAV-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598213 1267370369 /nfs/dbraw/zinc/37/03/69/1267370369.db2.gz VODQFWUWHAAKBI-INIZCTEOSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598213 1267370376 /nfs/dbraw/zinc/37/03/76/1267370376.db2.gz VODQFWUWHAAKBI-INIZCTEOSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598215 1267371133 /nfs/dbraw/zinc/37/11/33/1267371133.db2.gz VODQFWUWHAAKBI-MRXNPFEDSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598215 1267371143 /nfs/dbraw/zinc/37/11/43/1267371143.db2.gz VODQFWUWHAAKBI-MRXNPFEDSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675385 1267689567 /nfs/dbraw/zinc/68/95/67/1267689567.db2.gz MWVLSRZENVPUFT-CALCHBBNSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675385 1267689575 /nfs/dbraw/zinc/68/95/75/1267689575.db2.gz MWVLSRZENVPUFT-CALCHBBNSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(OCC(C)C)c1 ZINC001171072245 1278353694 /nfs/dbraw/zinc/35/36/94/1278353694.db2.gz DZTZFMDTJYKYGY-INIZCTEOSA-N 2 2 335.448 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298068 1268707697 /nfs/dbraw/zinc/70/76/97/1268707697.db2.gz ZIXAVGPXCZNDLS-QGZVFWFLSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298068 1268707706 /nfs/dbraw/zinc/70/77/06/1268707706.db2.gz ZIXAVGPXCZNDLS-QGZVFWFLSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472826 1269258131 /nfs/dbraw/zinc/25/81/31/1269258131.db2.gz BZJKUGLRPUQLRA-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472826 1269258135 /nfs/dbraw/zinc/25/81/35/1269258135.db2.gz BZJKUGLRPUQLRA-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472826 1269258141 /nfs/dbraw/zinc/25/81/41/1269258141.db2.gz BZJKUGLRPUQLRA-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472826 1269258145 /nfs/dbraw/zinc/25/81/45/1269258145.db2.gz BZJKUGLRPUQLRA-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508364 1269281090 /nfs/dbraw/zinc/28/10/90/1269281090.db2.gz LGAFWZQCJRNWJB-KRWDZBQOSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508364 1269281101 /nfs/dbraw/zinc/28/11/01/1269281101.db2.gz LGAFWZQCJRNWJB-KRWDZBQOSA-N 2 2 335.879 2.647 20 30 EFEDLP FC(F)(F)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000792870600 1279204329 /nfs/dbraw/zinc/20/43/29/1279204329.db2.gz IRJOUBCMFWAYOJ-VXGBXAGGSA-N 2 2 328.300 2.758 20 30 EFEDLP FC(F)(F)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000792870600 1279204342 /nfs/dbraw/zinc/20/43/42/1279204342.db2.gz IRJOUBCMFWAYOJ-VXGBXAGGSA-N 2 2 328.300 2.758 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033834712 1270304647 /nfs/dbraw/zinc/30/46/47/1270304647.db2.gz WLGZFPCYAAVLSA-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033834712 1270304656 /nfs/dbraw/zinc/30/46/56/1270304656.db2.gz WLGZFPCYAAVLSA-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034250570 1271425630 /nfs/dbraw/zinc/42/56/30/1271425630.db2.gz VBIJLVWNGBTXSR-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034250570 1271425637 /nfs/dbraw/zinc/42/56/37/1271425637.db2.gz VBIJLVWNGBTXSR-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034250570 1271425641 /nfs/dbraw/zinc/42/56/41/1271425641.db2.gz VBIJLVWNGBTXSR-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034250570 1271425650 /nfs/dbraw/zinc/42/56/50/1271425650.db2.gz VBIJLVWNGBTXSR-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291630 1271573595 /nfs/dbraw/zinc/57/35/95/1271573595.db2.gz MYKJCIHWOODREI-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291630 1271573602 /nfs/dbraw/zinc/57/36/02/1271573602.db2.gz MYKJCIHWOODREI-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034366118 1271786475 /nfs/dbraw/zinc/78/64/75/1271786475.db2.gz WXPFBMJBNWVICP-HNNXBMFYSA-N 2 2 339.867 2.678 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034366118 1271786482 /nfs/dbraw/zinc/78/64/82/1271786482.db2.gz WXPFBMJBNWVICP-HNNXBMFYSA-N 2 2 339.867 2.678 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034537378 1272238255 /nfs/dbraw/zinc/23/82/55/1272238255.db2.gz AXJVDEJADNHFTL-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034537378 1272238257 /nfs/dbraw/zinc/23/82/57/1272238257.db2.gz AXJVDEJADNHFTL-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537378 1272238264 /nfs/dbraw/zinc/23/82/64/1272238264.db2.gz AXJVDEJADNHFTL-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537378 1272238270 /nfs/dbraw/zinc/23/82/70/1272238270.db2.gz AXJVDEJADNHFTL-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C[NH+](C)C1(CNc2nc(Cl)c(Cl)cc2C#N)CC[NH+](C)CC1 ZINC001156182368 1272266079 /nfs/dbraw/zinc/26/60/79/1272266079.db2.gz QVHNWGNGTZIICA-UHFFFAOYSA-N 2 2 342.274 2.698 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001034670313 1272473743 /nfs/dbraw/zinc/47/37/43/1272473743.db2.gz NSOLHZMKVKYEFJ-SHTZXODSSA-N 2 2 338.883 2.696 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967399 1272559354 /nfs/dbraw/zinc/55/93/54/1272559354.db2.gz PPVIECQIKWTHIB-HKUYNNGSSA-N 2 2 342.443 2.558 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543376 1272591783 /nfs/dbraw/zinc/59/17/83/1272591783.db2.gz WWGXLNIXOFEUAI-UWVAXJGDSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543376 1272591791 /nfs/dbraw/zinc/59/17/91/1272591791.db2.gz WWGXLNIXOFEUAI-UWVAXJGDSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001034689271 1272618857 /nfs/dbraw/zinc/61/88/57/1272618857.db2.gz RHYOZMHSZHYNKL-HDJSIYSDSA-N 2 2 332.835 2.717 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108727277 1273414566 /nfs/dbraw/zinc/41/45/66/1273414566.db2.gz MCGQOGDOGLLBEQ-ULQDDVLXSA-N 2 2 338.455 2.883 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785657 1273472464 /nfs/dbraw/zinc/47/24/64/1273472464.db2.gz LGXNTRMCTYLCQP-ULQDDVLXSA-N 2 2 330.476 2.668 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799007 1273491710 /nfs/dbraw/zinc/49/17/10/1273491710.db2.gz JTZYLJHJIZHWQG-JYJNAYRXSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835316 1273527312 /nfs/dbraw/zinc/52/73/12/1273527312.db2.gz ORKWSJITLBGWRJ-BZSNNMDCSA-N 2 2 330.476 2.599 20 30 EFEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035206745 1273789126 /nfs/dbraw/zinc/78/91/26/1273789126.db2.gz DLFLWTHGDFXDFN-UHFFFAOYSA-N 2 2 339.483 2.958 20 30 EFEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035206745 1273789128 /nfs/dbraw/zinc/78/91/28/1273789128.db2.gz DLFLWTHGDFXDFN-UHFFFAOYSA-N 2 2 339.483 2.958 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231621 1273940575 /nfs/dbraw/zinc/94/05/75/1273940575.db2.gz PEXKZWUKXOREKQ-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231621 1273940590 /nfs/dbraw/zinc/94/05/90/1273940590.db2.gz PEXKZWUKXOREKQ-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109414738 1274255381 /nfs/dbraw/zinc/25/53/81/1274255381.db2.gz IZXWFVGDQOXGFP-XWSJACJDSA-N 2 2 345.531 2.632 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109414738 1274255388 /nfs/dbraw/zinc/25/53/88/1274255388.db2.gz IZXWFVGDQOXGFP-XWSJACJDSA-N 2 2 345.531 2.632 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109414738 1274255393 /nfs/dbraw/zinc/25/53/93/1274255393.db2.gz IZXWFVGDQOXGFP-XWSJACJDSA-N 2 2 345.531 2.632 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109414738 1274255402 /nfs/dbraw/zinc/25/54/02/1274255402.db2.gz IZXWFVGDQOXGFP-XWSJACJDSA-N 2 2 345.531 2.632 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035749485 1274467161 /nfs/dbraw/zinc/46/71/61/1274467161.db2.gz VDJVHTQDKPXVLO-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC001035826648 1274524564 /nfs/dbraw/zinc/52/45/64/1274524564.db2.gz SFTDEICSIZUFBF-UHFFFAOYSA-N 2 2 336.439 2.596 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001036028779 1274901907 /nfs/dbraw/zinc/90/19/07/1274901907.db2.gz FGKAXHVXRRYDIO-WBMJQRKESA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001036033340 1274908870 /nfs/dbraw/zinc/90/88/70/1274908870.db2.gz MYWXSBWKXHFYEX-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109969745 1274909263 /nfs/dbraw/zinc/90/92/63/1274909263.db2.gz YAFMZMLMRVXJRD-YDZRNGNQSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109969745 1274909269 /nfs/dbraw/zinc/90/92/69/1274909269.db2.gz YAFMZMLMRVXJRD-YDZRNGNQSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109969745 1274909272 /nfs/dbraw/zinc/90/92/72/1274909272.db2.gz YAFMZMLMRVXJRD-YDZRNGNQSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109969745 1274909277 /nfs/dbraw/zinc/90/92/77/1274909277.db2.gz YAFMZMLMRVXJRD-YDZRNGNQSA-N 2 2 327.472 2.587 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001036033338 1274909410 /nfs/dbraw/zinc/90/94/10/1274909410.db2.gz MYWXSBWKXHFYEX-PBHICJAKSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001036227091 1275255850 /nfs/dbraw/zinc/25/58/50/1275255850.db2.gz ZAPSCIRGNTYNDC-WMZOPIPTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001036239047 1275271438 /nfs/dbraw/zinc/27/14/38/1275271438.db2.gz DSOOZUNXJJZJCT-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001112853750 1276107116 /nfs/dbraw/zinc/10/71/16/1276107116.db2.gz KXTCNAFKWFPWCI-OAHLLOKOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136057516 1276374397 /nfs/dbraw/zinc/37/43/97/1276374397.db2.gz YZVKZKAWGBJSDO-IRXDYDNUSA-N 2 2 334.508 2.972 20 30 EFEDLP CC[C@@H]([NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1)[C@@H]1CCC[NH2+]1 ZINC000817918669 1276375493 /nfs/dbraw/zinc/37/54/93/1276375493.db2.gz MJEFIIFBBNFXGO-BBWFWOEESA-N 2 2 331.460 2.996 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896613 1276502181 /nfs/dbraw/zinc/50/21/81/1276502181.db2.gz YEJBIOCIMBJZNC-MAUKXSAKSA-N 2 2 347.507 2.631 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896613 1276502183 /nfs/dbraw/zinc/50/21/83/1276502183.db2.gz YEJBIOCIMBJZNC-MAUKXSAKSA-N 2 2 347.507 2.631 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819022387 1276593013 /nfs/dbraw/zinc/59/30/13/1276593013.db2.gz MBZFZNFISRPUBZ-MRXNPFEDSA-N 2 2 339.277 2.723 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819023976 1276593302 /nfs/dbraw/zinc/59/33/02/1276593302.db2.gz LWMFYVYHPKWDKQ-INIZCTEOSA-N 2 2 328.378 2.979 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819022386 1276593529 /nfs/dbraw/zinc/59/35/29/1276593529.db2.gz MBZFZNFISRPUBZ-INIZCTEOSA-N 2 2 339.277 2.723 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001113037557 1276617531 /nfs/dbraw/zinc/61/75/31/1276617531.db2.gz MCQWNTTUKIPTCN-KRWDZBQOSA-N 2 2 332.492 2.560 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001113111073 1276941804 /nfs/dbraw/zinc/94/18/04/1276941804.db2.gz FVCUZGNZOUFUKG-UHFFFAOYSA-N 2 2 344.503 2.653 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001113167427 1277163218 /nfs/dbraw/zinc/16/32/18/1277163218.db2.gz LZPKAPDMYJQCCH-KRWDZBQOSA-N 2 2 338.455 2.985 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000821213698 1277486274 /nfs/dbraw/zinc/48/62/74/1277486274.db2.gz OANDRRJOPWYMKD-UHFFFAOYSA-N 2 2 346.425 2.812 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000821213698 1277486282 /nfs/dbraw/zinc/48/62/82/1277486282.db2.gz OANDRRJOPWYMKD-UHFFFAOYSA-N 2 2 346.425 2.812 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001113488988 1277954066 /nfs/dbraw/zinc/95/40/66/1277954066.db2.gz WMCXRNPKWABZNK-QGZVFWFLSA-N 2 2 338.455 2.985 20 30 EFEDLP FC(F)(F)[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000792870592 1279205178 /nfs/dbraw/zinc/20/51/78/1279205178.db2.gz IRJOUBCMFWAYOJ-RYUDHWBXSA-N 2 2 328.300 2.758 20 30 EFEDLP FC(F)(F)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000792870592 1279205182 /nfs/dbraw/zinc/20/51/82/1279205182.db2.gz IRJOUBCMFWAYOJ-RYUDHWBXSA-N 2 2 328.300 2.758 20 30 EFEDLP C#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001144573823 1279856576 /nfs/dbraw/zinc/85/65/76/1279856576.db2.gz RCPVVORKTFHUPO-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001144573823 1279856583 /nfs/dbraw/zinc/85/65/83/1279856583.db2.gz RCPVVORKTFHUPO-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001144573823 1279856588 /nfs/dbraw/zinc/85/65/88/1279856588.db2.gz RCPVVORKTFHUPO-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001144573823 1279856599 /nfs/dbraw/zinc/85/65/99/1279856599.db2.gz RCPVVORKTFHUPO-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357553 1287411971 /nfs/dbraw/zinc/41/19/71/1287411971.db2.gz HFXYFGZYFWRRCJ-GVDBMIGSSA-N 2 2 332.492 2.754 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560383 1280942328 /nfs/dbraw/zinc/94/23/28/1280942328.db2.gz AFULUMDSNRCYQU-HOTGVXAUSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560383 1280942337 /nfs/dbraw/zinc/94/23/37/1280942337.db2.gz AFULUMDSNRCYQU-HOTGVXAUSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201788 1287472934 /nfs/dbraw/zinc/47/29/34/1287472934.db2.gz IWHONJBVPYNSJK-NHCUHLMSSA-N 2 2 337.467 2.925 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201788 1287472940 /nfs/dbraw/zinc/47/29/40/1287472940.db2.gz IWHONJBVPYNSJK-NHCUHLMSSA-N 2 2 337.467 2.925 20 30 EFEDLP C#CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205156 1287476536 /nfs/dbraw/zinc/47/65/36/1287476536.db2.gz UCWQSNOLPLNUJL-VXKWHMMOSA-N 2 2 334.463 2.978 20 30 EFEDLP C#CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205156 1287476539 /nfs/dbraw/zinc/47/65/39/1287476539.db2.gz UCWQSNOLPLNUJL-VXKWHMMOSA-N 2 2 334.463 2.978 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766712 1281253292 /nfs/dbraw/zinc/25/32/92/1281253292.db2.gz FUSZUWYAOGTOPD-KRWDZBQOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766712 1281253296 /nfs/dbraw/zinc/25/32/96/1281253296.db2.gz FUSZUWYAOGTOPD-KRWDZBQOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920584 1281930662 /nfs/dbraw/zinc/93/06/62/1281930662.db2.gz UBOHUOCUFRPAMW-INIZCTEOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC001086928435 1281991497 /nfs/dbraw/zinc/99/14/97/1281991497.db2.gz DQPVVXNPPGSLEE-INIZCTEOSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086953005 1282018625 /nfs/dbraw/zinc/01/86/25/1282018625.db2.gz WPEAFEQXDFJCNC-KRWDZBQOSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608598 1282844149 /nfs/dbraw/zinc/84/41/49/1282844149.db2.gz UCKJUTDFOKQCES-MLGOLLRUSA-N 2 2 346.862 2.693 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608598 1282844159 /nfs/dbraw/zinc/84/41/59/1282844159.db2.gz UCKJUTDFOKQCES-MLGOLLRUSA-N 2 2 346.862 2.693 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608740 1282844652 /nfs/dbraw/zinc/84/46/52/1282844652.db2.gz ZMAHFYMAHROAAX-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608740 1282844661 /nfs/dbraw/zinc/84/46/61/1282844661.db2.gz ZMAHFYMAHROAAX-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222028 1283167426 /nfs/dbraw/zinc/16/74/26/1283167426.db2.gz RWAVBOUUCXEAQI-ZWKOTPCHSA-N 2 2 332.492 2.989 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222028 1283167423 /nfs/dbraw/zinc/16/74/23/1283167423.db2.gz RWAVBOUUCXEAQI-ZWKOTPCHSA-N 2 2 332.492 2.989 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751101 1283404134 /nfs/dbraw/zinc/40/41/34/1283404134.db2.gz YCJLUQMKOLZKJI-GUYCJALGSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751101 1283404141 /nfs/dbraw/zinc/40/41/41/1283404141.db2.gz YCJLUQMKOLZKJI-GUYCJALGSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176001077 1287649946 /nfs/dbraw/zinc/64/99/46/1287649946.db2.gz ZURBHNUOLVRORU-INIZCTEOSA-N 2 2 341.459 2.722 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782400 1283632174 /nfs/dbraw/zinc/63/21/74/1283632174.db2.gz JBDQGMNRUKHWBT-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782400 1283632188 /nfs/dbraw/zinc/63/21/88/1283632188.db2.gz JBDQGMNRUKHWBT-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494964 1283767369 /nfs/dbraw/zinc/76/73/69/1283767369.db2.gz ZKPKRTJJKAMMBP-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494964 1283767381 /nfs/dbraw/zinc/76/73/81/1283767381.db2.gz ZKPKRTJJKAMMBP-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001093374725 1283821173 /nfs/dbraw/zinc/82/11/73/1283821173.db2.gz LOUYIJFWSGKLKY-IBGZPJMESA-N 2 2 342.487 2.552 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001093374725 1283821178 /nfs/dbraw/zinc/82/11/78/1283821178.db2.gz LOUYIJFWSGKLKY-IBGZPJMESA-N 2 2 342.487 2.552 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000815652507 1287672147 /nfs/dbraw/zinc/67/21/47/1287672147.db2.gz GHTXAAPBVXVWLA-HNNXBMFYSA-N 2 2 328.435 2.926 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000815652507 1287672148 /nfs/dbraw/zinc/67/21/48/1287672148.db2.gz GHTXAAPBVXVWLA-HNNXBMFYSA-N 2 2 328.435 2.926 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000815652531 1287672236 /nfs/dbraw/zinc/67/22/36/1287672236.db2.gz HAKMKGPKOSMHJD-HNNXBMFYSA-N 2 2 332.444 2.687 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000815652531 1287672237 /nfs/dbraw/zinc/67/22/37/1287672237.db2.gz HAKMKGPKOSMHJD-HNNXBMFYSA-N 2 2 332.444 2.687 20 30 EFEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171409985 1283975378 /nfs/dbraw/zinc/97/53/78/1283975378.db2.gz QOHVLUKWXADGDP-QZTJIDSGSA-N 2 2 332.492 2.758 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132823708 1284334193 /nfs/dbraw/zinc/33/41/93/1284334193.db2.gz KOAFFQBCVXRCDK-YJBOKZPZSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823707 1284334419 /nfs/dbraw/zinc/33/44/19/1284334419.db2.gz KOAFFQBCVXRCDK-QAPCUYQASA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132825356 1284337835 /nfs/dbraw/zinc/33/78/35/1284337835.db2.gz YNPYTZKQCLCPRU-YJBOKZPZSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919168 1284466836 /nfs/dbraw/zinc/46/68/36/1284466836.db2.gz FCJFSCJPCBPXOO-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132981873 1284567151 /nfs/dbraw/zinc/56/71/51/1284567151.db2.gz HASKNLSTYCSZDM-IRXDYDNUSA-N 2 2 340.471 2.988 20 30 EFEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001132992000 1284602505 /nfs/dbraw/zinc/60/25/05/1284602505.db2.gz BJQNTDRVCAEXFN-RDTXWAMCSA-N 2 2 327.472 2.718 20 30 EFEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001132991997 1284603520 /nfs/dbraw/zinc/60/35/20/1284603520.db2.gz BJQNTDRVCAEXFN-KBXCAEBGSA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193055 1287740532 /nfs/dbraw/zinc/74/05/32/1287740532.db2.gz NNYMYZQRRPMJOG-MHORFTMASA-N 2 2 330.476 2.740 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193055 1287740537 /nfs/dbraw/zinc/74/05/37/1287740537.db2.gz NNYMYZQRRPMJOG-MHORFTMASA-N 2 2 330.476 2.740 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193054 1287740694 /nfs/dbraw/zinc/74/06/94/1287740694.db2.gz NNYMYZQRRPMJOG-BDXSIMOUSA-N 2 2 330.476 2.740 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193054 1287740701 /nfs/dbraw/zinc/74/07/01/1287740701.db2.gz NNYMYZQRRPMJOG-BDXSIMOUSA-N 2 2 330.476 2.740 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133195015 1284972575 /nfs/dbraw/zinc/97/25/75/1284972575.db2.gz NYIUANHRNYOCAZ-DLBZAZTESA-N 2 2 334.508 2.997 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001133222958 1285007839 /nfs/dbraw/zinc/00/78/39/1285007839.db2.gz ZFLGTUREUNODOO-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133241635 1285038296 /nfs/dbraw/zinc/03/82/96/1285038296.db2.gz KAACZPIMPRNWQD-ZWKOTPCHSA-N 2 2 346.519 2.783 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468319 1285096796 /nfs/dbraw/zinc/09/67/96/1285096796.db2.gz MGPUVPNEYNVNGZ-YLJYHZDGSA-N 2 2 338.455 2.885 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468319 1285096804 /nfs/dbraw/zinc/09/68/04/1285096804.db2.gz MGPUVPNEYNVNGZ-YLJYHZDGSA-N 2 2 338.455 2.885 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094505313 1285202193 /nfs/dbraw/zinc/20/21/93/1285202193.db2.gz IVICMDOTUZSXPU-XAUMDUMWSA-N 2 2 342.487 2.767 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094505313 1285202196 /nfs/dbraw/zinc/20/21/96/1285202196.db2.gz IVICMDOTUZSXPU-XAUMDUMWSA-N 2 2 342.487 2.767 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510094 1285220776 /nfs/dbraw/zinc/22/07/76/1285220776.db2.gz XYJWHCPAYAAOQY-WRWLIDTKSA-N 2 2 342.487 2.767 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510094 1285220781 /nfs/dbraw/zinc/22/07/81/1285220781.db2.gz XYJWHCPAYAAOQY-WRWLIDTKSA-N 2 2 342.487 2.767 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510095 1285221587 /nfs/dbraw/zinc/22/15/87/1285221587.db2.gz XYJWHCPAYAAOQY-XAUMDUMWSA-N 2 2 342.487 2.767 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510095 1285221594 /nfs/dbraw/zinc/22/15/94/1285221594.db2.gz XYJWHCPAYAAOQY-XAUMDUMWSA-N 2 2 342.487 2.767 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133355702 1285250359 /nfs/dbraw/zinc/25/03/59/1285250359.db2.gz ZWSVQIRQXDPENI-QZTJIDSGSA-N 2 2 334.508 2.928 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133355701 1285250636 /nfs/dbraw/zinc/25/06/36/1285250636.db2.gz ZWSVQIRQXDPENI-MSOLQXFVSA-N 2 2 334.508 2.928 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171485969 1285565162 /nfs/dbraw/zinc/56/51/62/1285565162.db2.gz GSEVUCGLEXXGSJ-INIZCTEOSA-N 2 2 333.476 2.864 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486682 1285567838 /nfs/dbraw/zinc/56/78/38/1285567838.db2.gz NCTQIOCNBYTEES-AWEZNQCLSA-N 2 2 339.867 2.650 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577209 1285657766 /nfs/dbraw/zinc/65/77/66/1285657766.db2.gz PLWIBZKJHTTYAZ-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171603565 1285671702 /nfs/dbraw/zinc/67/17/02/1285671702.db2.gz BJRPHHPHFAKUMJ-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171603914 1285673700 /nfs/dbraw/zinc/67/37/00/1285673700.db2.gz DSGRZOXXXKQBIN-HOCLYGCPSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171603914 1285673705 /nfs/dbraw/zinc/67/37/05/1285673705.db2.gz DSGRZOXXXKQBIN-HOCLYGCPSA-N 2 2 332.492 2.664 20 30 EFEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171941965 1285938027 /nfs/dbraw/zinc/93/80/27/1285938027.db2.gz FCHGWEITMIRVAL-KRWDZBQOSA-N 2 2 338.455 2.774 20 30 EFEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942589 1285938900 /nfs/dbraw/zinc/93/89/00/1285938900.db2.gz PDFOPMAJKNYBHC-KRWDZBQOSA-N 2 2 338.455 2.774 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141755 1289041647 /nfs/dbraw/zinc/04/16/47/1289041647.db2.gz LOLWZMCJALKZJE-PMPSAXMXSA-N 2 2 326.444 2.882 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172303993 1286090402 /nfs/dbraw/zinc/09/04/02/1286090402.db2.gz JPRHASVKQIDVDE-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172303993 1286090410 /nfs/dbraw/zinc/09/04/10/1286090410.db2.gz JPRHASVKQIDVDE-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172303993 1286090414 /nfs/dbraw/zinc/09/04/14/1286090414.db2.gz JPRHASVKQIDVDE-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172303993 1286090420 /nfs/dbraw/zinc/09/04/20/1286090420.db2.gz JPRHASVKQIDVDE-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](CCCC#N)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001172476363 1286142305 /nfs/dbraw/zinc/14/23/05/1286142305.db2.gz KFGGGLSIWCGABD-QGZVFWFLSA-N 2 2 331.460 2.570 20 30 EFEDLP C[C@H](CCCC#N)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496394 1286170947 /nfs/dbraw/zinc/17/09/47/1286170947.db2.gz ZWLQIKWIYGEWPW-IAGOWNOFSA-N 2 2 328.460 2.881 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001094947243 1286261146 /nfs/dbraw/zinc/26/11/46/1286261146.db2.gz QMVVYJMVMRJQRN-QEJZJMRPSA-N 2 2 344.846 2.898 20 30 EFEDLP Cc1ccc(C(=[NH2+])NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc1C ZINC001172892408 1286322442 /nfs/dbraw/zinc/32/24/42/1286322442.db2.gz ORBDXCKUENXYII-UHFFFAOYSA-N 2 2 345.487 2.815 20 30 EFEDLP C=CCOC1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173322108 1286526679 /nfs/dbraw/zinc/52/66/79/1286526679.db2.gz ZKMQIHVGXHASPZ-FWGXRIOKSA-N 2 2 341.499 2.959 20 30 EFEDLP C=CCOC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173322108 1286526684 /nfs/dbraw/zinc/52/66/84/1286526684.db2.gz ZKMQIHVGXHASPZ-FWGXRIOKSA-N 2 2 341.499 2.959 20 30 EFEDLP C=CCOC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173322108 1286526687 /nfs/dbraw/zinc/52/66/87/1286526687.db2.gz ZKMQIHVGXHASPZ-FWGXRIOKSA-N 2 2 341.499 2.959 20 30 EFEDLP C=CCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173322108 1286526691 /nfs/dbraw/zinc/52/66/91/1286526691.db2.gz ZKMQIHVGXHASPZ-FWGXRIOKSA-N 2 2 341.499 2.959 20 30 EFEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C1CCC(CC#N)CC1)C2 ZINC001173335721 1286529760 /nfs/dbraw/zinc/52/97/60/1286529760.db2.gz WESVEBFMIWDGKL-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C1CCC(CC#N)CC1)C2 ZINC001173335721 1286529763 /nfs/dbraw/zinc/52/97/63/1286529763.db2.gz WESVEBFMIWDGKL-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173335721 1286529765 /nfs/dbraw/zinc/52/97/65/1286529765.db2.gz WESVEBFMIWDGKL-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173335721 1286529769 /nfs/dbraw/zinc/52/97/69/1286529769.db2.gz WESVEBFMIWDGKL-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C1CCC(C)(C#N)CC1)C2 ZINC001173595904 1286710372 /nfs/dbraw/zinc/71/03/72/1286710372.db2.gz BHINDAPOEDLFJF-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C1CCC(C)(C#N)CC1)C2 ZINC001173595904 1286710375 /nfs/dbraw/zinc/71/03/75/1286710375.db2.gz BHINDAPOEDLFJF-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173595904 1286710380 /nfs/dbraw/zinc/71/03/80/1286710380.db2.gz BHINDAPOEDLFJF-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173595904 1286710385 /nfs/dbraw/zinc/71/03/85/1286710385.db2.gz BHINDAPOEDLFJF-UHFFFAOYSA-N 2 2 344.507 2.796 20 30 EFEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177301099 1288361844 /nfs/dbraw/zinc/36/18/44/1288361844.db2.gz RFDYFNRIVNWVAS-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001177352767 1288415270 /nfs/dbraw/zinc/41/52/70/1288415270.db2.gz LEEWRNJEPKMGBM-SFHVURJKSA-N 2 2 344.503 2.630 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177466747 1288432007 /nfs/dbraw/zinc/43/20/07/1288432007.db2.gz FAEIREGLRVIDKW-UHFFFAOYSA-N 2 2 344.503 2.709 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135915846 1288594920 /nfs/dbraw/zinc/59/49/20/1288594920.db2.gz CTXAKQLPHNMBAR-ZIAGYGMSSA-N 2 2 347.850 2.506 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178535721 1288808073 /nfs/dbraw/zinc/80/80/73/1288808073.db2.gz KEEFGSJONDMKFR-UHFFFAOYSA-N 2 2 346.519 2.994 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001178746797 1288891707 /nfs/dbraw/zinc/89/17/07/1288891707.db2.gz KTHPLRXCCAALJL-BQFCYCMXSA-N 2 2 344.503 2.696 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852071 1288942037 /nfs/dbraw/zinc/94/20/37/1288942037.db2.gz LINKQNPXOSVNFB-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852531 1288943293 /nfs/dbraw/zinc/94/32/93/1288943293.db2.gz UNNLHBNAEDCPDQ-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819097 1312686589 /nfs/dbraw/zinc/68/65/89/1312686589.db2.gz JUTSKJOPTKRTSJ-SJORKVTESA-N 2 2 344.503 2.676 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179018808 1289005874 /nfs/dbraw/zinc/00/58/74/1289005874.db2.gz JSKLIWJAFNKSOZ-BZSNNMDCSA-N 2 2 344.503 2.771 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165835916 1312690497 /nfs/dbraw/zinc/69/04/97/1312690497.db2.gz KPQTYPAAYBLKIB-MRXNPFEDSA-N 2 2 344.503 2.665 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165835916 1312690500 /nfs/dbraw/zinc/69/05/00/1312690500.db2.gz KPQTYPAAYBLKIB-MRXNPFEDSA-N 2 2 344.503 2.665 20 30 EFEDLP C=CC[NH2+]CCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001179819985 1289263899 /nfs/dbraw/zinc/26/38/99/1289263899.db2.gz FPTDZMDTJWOGPG-UHFFFAOYSA-N 2 2 328.460 2.637 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452661 1289538850 /nfs/dbraw/zinc/53/88/50/1289538850.db2.gz XYEWZPVJBVLZDS-UHFFFAOYSA-N 2 2 326.872 2.682 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000873262698 1289688905 /nfs/dbraw/zinc/68/89/05/1289688905.db2.gz BKMDTCJUEVUJPQ-NUZGMZIFSA-N 3 2 338.499 2.643 20 30 EFEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820564 1289962636 /nfs/dbraw/zinc/96/26/36/1289962636.db2.gz QQVSNNGXQGHPPP-ZHALLVOQSA-N 2 2 332.492 2.731 20 30 EFEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181903795 1289998002 /nfs/dbraw/zinc/99/80/02/1289998002.db2.gz LAJINGHNMCLNJO-AUUYWEPGSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182997503 1290283221 /nfs/dbraw/zinc/28/32/21/1290283221.db2.gz XHHTXYKGUSADJC-VQIMIIECSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651743 1290488384 /nfs/dbraw/zinc/48/83/84/1290488384.db2.gz HYNYEVAFWWJHOG-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184652165 1290488483 /nfs/dbraw/zinc/48/84/83/1290488483.db2.gz LHDUFZKFOSCULF-FUHWJXTLSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184653438 1290490149 /nfs/dbraw/zinc/49/01/49/1290490149.db2.gz RCLUBIZQDRLWMB-DOTOQJQBSA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184797499 1290524672 /nfs/dbraw/zinc/52/46/72/1290524672.db2.gz DDDWVBNTRWKHMQ-CVEARBPZSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501997 1290693498 /nfs/dbraw/zinc/69/34/98/1290693498.db2.gz KKGUPTKWIFBYNA-QZTJIDSGSA-N 2 2 346.519 2.783 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501999 1290693755 /nfs/dbraw/zinc/69/37/55/1290693755.db2.gz KKGUPTKWIFBYNA-ZWKOTPCHSA-N 2 2 346.519 2.783 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185790219 1290762783 /nfs/dbraw/zinc/76/27/83/1290762783.db2.gz YSOQLCPZEOHBJP-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185790147 1290763134 /nfs/dbraw/zinc/76/31/34/1290763134.db2.gz YBUKANJZFHRKCJ-ZWKOTPCHSA-N 2 2 334.508 2.928 20 30 EFEDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](C)CCC#N)CC2)cc1 ZINC000876899910 1291064878 /nfs/dbraw/zinc/06/48/78/1291064878.db2.gz AKSZMCBVGLOYGX-GOSISDBHSA-N 2 2 344.503 2.737 20 30 EFEDLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137120450 1291242575 /nfs/dbraw/zinc/24/25/75/1291242575.db2.gz NIGAHWNQEQRVID-UHFFFAOYSA-N 2 2 343.471 2.664 20 30 EFEDLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137120450 1291242587 /nfs/dbraw/zinc/24/25/87/1291242587.db2.gz NIGAHWNQEQRVID-UHFFFAOYSA-N 2 2 343.471 2.664 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285772 1291366341 /nfs/dbraw/zinc/36/63/41/1291366341.db2.gz NOCMZOHQPMWMED-GBESFXJTSA-N 2 2 344.503 2.969 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285772 1291366352 /nfs/dbraw/zinc/36/63/52/1291366352.db2.gz NOCMZOHQPMWMED-GBESFXJTSA-N 2 2 344.503 2.969 20 30 EFEDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082994 1312852463 /nfs/dbraw/zinc/85/24/63/1312852463.db2.gz OCNQVGGIEYCNEN-FQEVSTJZSA-N 2 2 327.472 2.942 20 30 EFEDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082994 1312852465 /nfs/dbraw/zinc/85/24/65/1312852465.db2.gz OCNQVGGIEYCNEN-FQEVSTJZSA-N 2 2 327.472 2.942 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000878608314 1291733180 /nfs/dbraw/zinc/73/31/80/1291733180.db2.gz OIPLIZOTQAQOKC-JKWVGCSGSA-N 2 2 339.483 2.984 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000878608314 1291733182 /nfs/dbraw/zinc/73/31/82/1291733182.db2.gz OIPLIZOTQAQOKC-JKWVGCSGSA-N 2 2 339.483 2.984 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000878608314 1291733188 /nfs/dbraw/zinc/73/31/88/1291733188.db2.gz OIPLIZOTQAQOKC-JKWVGCSGSA-N 2 2 339.483 2.984 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000878608314 1291733193 /nfs/dbraw/zinc/73/31/93/1291733193.db2.gz OIPLIZOTQAQOKC-JKWVGCSGSA-N 2 2 339.483 2.984 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000957561420 1291768865 /nfs/dbraw/zinc/76/88/65/1291768865.db2.gz REKCZTBIWKQKJM-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000957561420 1291768869 /nfs/dbraw/zinc/76/88/69/1291768869.db2.gz REKCZTBIWKQKJM-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)CC1 ZINC000957602659 1291854637 /nfs/dbraw/zinc/85/46/37/1291854637.db2.gz DICHVAJFBOCUCP-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957613418 1291880047 /nfs/dbraw/zinc/88/00/47/1291880047.db2.gz YOBLPFREPUHCQN-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000957637840 1291938738 /nfs/dbraw/zinc/93/87/38/1291938738.db2.gz XSGDYWYTMJRKBA-UHFFFAOYSA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000957652947 1291973026 /nfs/dbraw/zinc/97/30/26/1291973026.db2.gz XFMGRIFGXALTEF-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(N)cc2Cl)CC1 ZINC001233377400 1312915561 /nfs/dbraw/zinc/91/55/61/1312915561.db2.gz CPMXWDGKERXGDB-UHFFFAOYSA-N 2 2 348.922 2.714 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001233384637 1312918316 /nfs/dbraw/zinc/91/83/16/1312918316.db2.gz BWXSIXUGLUCZQJ-QUCCMNQESA-N 2 2 348.450 2.613 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001233384637 1312918319 /nfs/dbraw/zinc/91/83/19/1312918319.db2.gz BWXSIXUGLUCZQJ-QUCCMNQESA-N 2 2 348.450 2.613 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001233384637 1312918322 /nfs/dbraw/zinc/91/83/22/1312918322.db2.gz BWXSIXUGLUCZQJ-QUCCMNQESA-N 2 2 348.450 2.613 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001233384637 1312918324 /nfs/dbraw/zinc/91/83/24/1312918324.db2.gz BWXSIXUGLUCZQJ-QUCCMNQESA-N 2 2 348.450 2.613 20 30 EFEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818945 1292327776 /nfs/dbraw/zinc/32/77/76/1292327776.db2.gz UOCGOGUVOOJIEK-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818945 1292327785 /nfs/dbraw/zinc/32/77/85/1292327785.db2.gz UOCGOGUVOOJIEK-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879706 1292362725 /nfs/dbraw/zinc/36/27/25/1292362725.db2.gz VHFDZKRWXLAOES-SFHVURJKSA-N 2 2 345.487 2.912 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879706 1292362732 /nfs/dbraw/zinc/36/27/32/1292362732.db2.gz VHFDZKRWXLAOES-SFHVURJKSA-N 2 2 345.487 2.912 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001016682412 1312923016 /nfs/dbraw/zinc/92/30/16/1312923016.db2.gz QGEGESPSYGDGHE-QGZVFWFLSA-N 2 2 344.503 2.864 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008742 1292421818 /nfs/dbraw/zinc/42/18/18/1292421818.db2.gz AIGABYPZMBKNSD-PKOBYXMFSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008742 1292421828 /nfs/dbraw/zinc/42/18/28/1292421828.db2.gz AIGABYPZMBKNSD-PKOBYXMFSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203445104 1312926369 /nfs/dbraw/zinc/92/63/69/1312926369.db2.gz YYDOMHKIRZIGRW-IAGOWNOFSA-N 2 2 330.476 2.716 20 30 EFEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587226 1292571682 /nfs/dbraw/zinc/57/16/82/1292571682.db2.gz SFBLEBDMSRHYAZ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587226 1292571691 /nfs/dbraw/zinc/57/16/91/1292571691.db2.gz SFBLEBDMSRHYAZ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203563704 1312957060 /nfs/dbraw/zinc/95/70/60/1312957060.db2.gz RGJYVDRXSPVDRR-RTBURBONSA-N 2 2 348.450 2.526 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425574 1292889765 /nfs/dbraw/zinc/88/97/65/1292889765.db2.gz ILGQYWAEENSAEK-RCCFBDPRSA-N 2 2 344.503 2.803 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425574 1292889776 /nfs/dbraw/zinc/88/97/76/1292889776.db2.gz ILGQYWAEENSAEK-RCCFBDPRSA-N 2 2 344.503 2.803 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524821 1312966101 /nfs/dbraw/zinc/96/61/01/1312966101.db2.gz BMJWRZNUQWJNIZ-JOCBIADPSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524821 1312966102 /nfs/dbraw/zinc/96/61/02/1312966102.db2.gz BMJWRZNUQWJNIZ-JOCBIADPSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524821 1312966104 /nfs/dbraw/zinc/96/61/04/1312966104.db2.gz BMJWRZNUQWJNIZ-JOCBIADPSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524821 1312966105 /nfs/dbraw/zinc/96/61/05/1312966105.db2.gz BMJWRZNUQWJNIZ-JOCBIADPSA-N 2 2 328.460 2.545 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786055 1293429546 /nfs/dbraw/zinc/42/95/46/1293429546.db2.gz DFPYFFRAJWYBKF-GOSISDBHSA-N 2 2 332.492 2.632 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786055 1293429550 /nfs/dbraw/zinc/42/95/50/1293429550.db2.gz DFPYFFRAJWYBKF-GOSISDBHSA-N 2 2 332.492 2.632 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814486 1313022185 /nfs/dbraw/zinc/02/21/85/1313022185.db2.gz JZJAQNYJCOWALP-SJORKVTESA-N 2 2 330.476 2.647 20 30 EFEDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903472 1313045027 /nfs/dbraw/zinc/04/50/27/1313045027.db2.gz VJTRYIGWXMLYQN-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903472 1313045030 /nfs/dbraw/zinc/04/50/30/1313045030.db2.gz VJTRYIGWXMLYQN-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903472 1313045034 /nfs/dbraw/zinc/04/50/34/1313045034.db2.gz VJTRYIGWXMLYQN-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903472 1313045037 /nfs/dbraw/zinc/04/50/37/1313045037.db2.gz VJTRYIGWXMLYQN-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242730 1294182559 /nfs/dbraw/zinc/18/25/59/1294182559.db2.gz LKIYVZYQRGEDAR-GOSISDBHSA-N 2 2 332.492 2.971 20 30 EFEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242730 1294182567 /nfs/dbraw/zinc/18/25/67/1294182567.db2.gz LKIYVZYQRGEDAR-GOSISDBHSA-N 2 2 332.492 2.971 20 30 EFEDLP C=C(Cl)C[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641417 1294301632 /nfs/dbraw/zinc/30/16/32/1294301632.db2.gz FVXMMJCYXGYQTB-UHFFFAOYSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641417 1294301640 /nfs/dbraw/zinc/30/16/40/1294301640.db2.gz FVXMMJCYXGYQTB-UHFFFAOYSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641417 1294301648 /nfs/dbraw/zinc/30/16/48/1294301648.db2.gz FVXMMJCYXGYQTB-UHFFFAOYSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641417 1294301654 /nfs/dbraw/zinc/30/16/54/1294301654.db2.gz FVXMMJCYXGYQTB-UHFFFAOYSA-N 2 2 341.927 2.928 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126104 1294464182 /nfs/dbraw/zinc/46/41/82/1294464182.db2.gz SZIZTCNMWJRCRM-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126104 1294464183 /nfs/dbraw/zinc/46/41/83/1294464183.db2.gz SZIZTCNMWJRCRM-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303779985 1294580167 /nfs/dbraw/zinc/58/01/67/1294580167.db2.gz LASRHPQVWNWUGN-SFHVURJKSA-N 2 2 346.519 2.895 20 30 EFEDLP [NH2+]=C(NCCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303897909 1294599194 /nfs/dbraw/zinc/59/91/94/1294599194.db2.gz VIIORQXIDFGUSB-UHFFFAOYSA-N 2 2 337.402 2.658 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234314124 1313101331 /nfs/dbraw/zinc/10/13/31/1313101331.db2.gz RJPWOPWMKFSHTI-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234314124 1313101334 /nfs/dbraw/zinc/10/13/34/1313101334.db2.gz RJPWOPWMKFSHTI-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625847 1313104266 /nfs/dbraw/zinc/10/42/66/1313104266.db2.gz IJBKKGTWAVQBOE-MOPGFXCFSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625847 1313104269 /nfs/dbraw/zinc/10/42/69/1313104269.db2.gz IJBKKGTWAVQBOE-MOPGFXCFSA-N 2 2 336.439 2.737 20 30 EFEDLP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626664 1313106032 /nfs/dbraw/zinc/10/60/32/1313106032.db2.gz NAWDRFBZSQEJOL-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626664 1313106035 /nfs/dbraw/zinc/10/60/35/1313106035.db2.gz NAWDRFBZSQEJOL-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633406 1313114698 /nfs/dbraw/zinc/11/46/98/1313114698.db2.gz BGSKGFFGGUUVFC-HOTGVXAUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633406 1313114700 /nfs/dbraw/zinc/11/47/00/1313114700.db2.gz BGSKGFFGGUUVFC-HOTGVXAUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435971 1313128505 /nfs/dbraw/zinc/12/85/05/1313128505.db2.gz MUXDVRZOAOHPFM-FUHWJXTLSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435971 1313128507 /nfs/dbraw/zinc/12/85/07/1313128507.db2.gz MUXDVRZOAOHPFM-FUHWJXTLSA-N 2 2 344.503 2.649 20 30 EFEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234969648 1313214762 /nfs/dbraw/zinc/21/47/62/1313214762.db2.gz ARUUCUKCMRZDIM-WIYYLYMNSA-N 2 2 349.434 2.771 20 30 EFEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234969648 1313214765 /nfs/dbraw/zinc/21/47/65/1313214765.db2.gz ARUUCUKCMRZDIM-WIYYLYMNSA-N 2 2 349.434 2.771 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734099 1313235171 /nfs/dbraw/zinc/23/51/71/1313235171.db2.gz DCEFMWDQFIWROC-TVFCKZIOSA-N 2 2 342.487 2.555 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734099 1313235174 /nfs/dbraw/zinc/23/51/74/1313235174.db2.gz DCEFMWDQFIWROC-TVFCKZIOSA-N 2 2 342.487 2.555 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001205345554 1313272586 /nfs/dbraw/zinc/27/25/86/1313272586.db2.gz QRAABBBEBRBRHR-UHFFFAOYSA-N 2 2 344.503 2.556 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001205350297 1313272825 /nfs/dbraw/zinc/27/28/25/1313272825.db2.gz UYCZXUNPFCAPIY-UHFFFAOYSA-N 2 2 344.503 2.556 20 30 EFEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000960282641 1296702030 /nfs/dbraw/zinc/70/20/30/1296702030.db2.gz JWERJHHXEDDRNK-VQIMIIECSA-N 2 2 332.407 2.506 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205552754 1313311321 /nfs/dbraw/zinc/31/13/21/1313311321.db2.gz KOLVGEDLCPPXPM-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679833 1313336748 /nfs/dbraw/zinc/33/67/48/1313336748.db2.gz QMZAVTRQUZOFCF-UHFFFAOYSA-N 2 2 326.444 2.742 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001235515429 1313342115 /nfs/dbraw/zinc/34/21/15/1313342115.db2.gz UXHUHFPESAVIMB-PMACEKPBSA-N 2 2 332.451 2.711 20 30 EFEDLP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC001235577246 1313354102 /nfs/dbraw/zinc/35/41/02/1313354102.db2.gz YXLRVGDZHATUJZ-CTNGQTDRSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC001235577246 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JQXMFTQXNWHWBJ-YADHBBJMSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001208922679 1314047077 /nfs/dbraw/zinc/04/70/77/1314047077.db2.gz JQXMFTQXNWHWBJ-YADHBBJMSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001208922679 1314047080 /nfs/dbraw/zinc/04/70/80/1314047080.db2.gz JQXMFTQXNWHWBJ-YADHBBJMSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001208922679 1314047081 /nfs/dbraw/zinc/04/70/81/1314047081.db2.gz JQXMFTQXNWHWBJ-YADHBBJMSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208925821 1314047670 /nfs/dbraw/zinc/04/76/70/1314047670.db2.gz UGZOPRFHFHTLJQ-SFTDATJTSA-N 2 2 332.451 2.560 20 30 EFEDLP C=CCN(CC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1)C(=O)OCC ZINC001209019333 1314071361 /nfs/dbraw/zinc/07/13/61/1314071361.db2.gz LSFNCOWXBJRNKI-UHFFFAOYSA-N 2 2 349.519 2.971 20 30 EFEDLP C=CCN(CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)C(=O)OCC ZINC001209019333 1314071362 /nfs/dbraw/zinc/07/13/62/1314071362.db2.gz LSFNCOWXBJRNKI-UHFFFAOYSA-N 2 2 349.519 2.971 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001044649599 1306687671 /nfs/dbraw/zinc/68/76/71/1306687671.db2.gz WCFOXMYNRDRSLV-GXTWGEPZSA-N 2 2 332.835 2.898 20 30 EFEDLP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859219 1306730086 /nfs/dbraw/zinc/73/00/86/1306730086.db2.gz LTIKJOQKCONRFO-SFHVURJKSA-N 2 2 338.455 2.640 20 30 EFEDLP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859219 1306730089 /nfs/dbraw/zinc/73/00/89/1306730089.db2.gz LTIKJOQKCONRFO-SFHVURJKSA-N 2 2 338.455 2.640 20 30 EFEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859850 1306731568 /nfs/dbraw/zinc/73/15/68/1306731568.db2.gz SAYYTTDERZYHIE-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCN(CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC001276635912 1314144425 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339.911 2.728 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007331133 1307372461 /nfs/dbraw/zinc/37/24/61/1307372461.db2.gz BVCLZPVEOFHPPJ-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007331133 1307372467 /nfs/dbraw/zinc/37/24/67/1307372467.db2.gz BVCLZPVEOFHPPJ-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500155 1307473231 /nfs/dbraw/zinc/47/32/31/1307473231.db2.gz RAIHOWZIXRMFRM-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500155 1307473234 /nfs/dbraw/zinc/47/32/34/1307473234.db2.gz RAIHOWZIXRMFRM-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500155 1307473236 /nfs/dbraw/zinc/47/32/36/1307473236.db2.gz RAIHOWZIXRMFRM-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500155 1307473240 /nfs/dbraw/zinc/47/32/40/1307473240.db2.gz RAIHOWZIXRMFRM-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948091 1307971437 /nfs/dbraw/zinc/97/14/37/1307971437.db2.gz UYQCMGMKNPTASH-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948091 1307971439 /nfs/dbraw/zinc/97/14/39/1307971439.db2.gz UYQCMGMKNPTASH-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958577 1308000162 /nfs/dbraw/zinc/00/01/62/1308000162.db2.gz UPPGPSWFKGDJMI-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958577 1308000168 /nfs/dbraw/zinc/00/01/68/1308000168.db2.gz UPPGPSWFKGDJMI-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972897 1308041959 /nfs/dbraw/zinc/04/19/59/1308041959.db2.gz JYBUDFONELMWDA-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972897 1308041964 /nfs/dbraw/zinc/04/19/64/1308041964.db2.gz JYBUDFONELMWDA-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972897 1308041969 /nfs/dbraw/zinc/04/19/69/1308041969.db2.gz JYBUDFONELMWDA-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972897 1308041973 /nfs/dbraw/zinc/04/19/73/1308041973.db2.gz JYBUDFONELMWDA-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243735 1314301209 /nfs/dbraw/zinc/30/12/09/1314301209.db2.gz OUXVRWJOYMRULW-ZTFGCOKTSA-N 2 2 349.906 2.868 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243735 1314301213 /nfs/dbraw/zinc/30/12/13/1314301213.db2.gz OUXVRWJOYMRULW-ZTFGCOKTSA-N 2 2 349.906 2.868 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243735 1314301217 /nfs/dbraw/zinc/30/12/17/1314301217.db2.gz OUXVRWJOYMRULW-ZTFGCOKTSA-N 2 2 349.906 2.868 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243735 1314301219 /nfs/dbraw/zinc/30/12/19/1314301219.db2.gz OUXVRWJOYMRULW-ZTFGCOKTSA-N 2 2 349.906 2.868 20 30 EFEDLP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046949837 1309747976 /nfs/dbraw/zinc/74/79/76/1309747976.db2.gz YZRLRPIZOPADMO-CQSZACIVSA-N 2 2 348.397 2.826 20 30 EFEDLP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046949837 1309747987 /nfs/dbraw/zinc/74/79/87/1309747987.db2.gz YZRLRPIZOPADMO-CQSZACIVSA-N 2 2 348.397 2.826 20 30 EFEDLP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001046958167 1309770586 /nfs/dbraw/zinc/77/05/86/1309770586.db2.gz VUSNJBSCXOTXJZ-AWEZNQCLSA-N 2 2 348.397 2.597 20 30 EFEDLP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001046958167 1309770592 /nfs/dbraw/zinc/77/05/92/1309770592.db2.gz VUSNJBSCXOTXJZ-AWEZNQCLSA-N 2 2 348.397 2.597 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001047242950 1310396011 /nfs/dbraw/zinc/39/60/11/1310396011.db2.gz HVTHLCNFRHSPQQ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001047242950 1310396018 /nfs/dbraw/zinc/39/60/18/1310396018.db2.gz HVTHLCNFRHSPQQ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210899215 1314406529 /nfs/dbraw/zinc/40/65/29/1314406529.db2.gz IKEUOSWYTSIKIM-QGZVFWFLSA-N 2 2 334.508 2.904 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221978748 1311064304 /nfs/dbraw/zinc/06/43/04/1311064304.db2.gz CQRXGRSHFMYKQB-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221978748 1311064306 /nfs/dbraw/zinc/06/43/06/1311064306.db2.gz CQRXGRSHFMYKQB-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466200 1311066264 /nfs/dbraw/zinc/06/62/64/1311066264.db2.gz MAQRAPKDOOBKTF-AKHDSKFASA-N 2 2 327.472 2.587 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466200 1311066268 /nfs/dbraw/zinc/06/62/68/1311066268.db2.gz MAQRAPKDOOBKTF-AKHDSKFASA-N 2 2 327.472 2.587 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091973 1311083164 /nfs/dbraw/zinc/08/31/64/1311083164.db2.gz FWKMDLXRKHKPKV-SFHVURJKSA-N 2 2 332.492 2.990 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222937144 1311200948 /nfs/dbraw/zinc/20/09/48/1311200948.db2.gz QQJCLLIAENOMQG-QRVBRYPASA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222937144 1311200950 /nfs/dbraw/zinc/20/09/50/1311200950.db2.gz QQJCLLIAENOMQG-QRVBRYPASA-N 2 2 344.503 2.969 20 30 EFEDLP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598372 1311253097 /nfs/dbraw/zinc/25/30/97/1311253097.db2.gz JLJJXHOLPXQPCL-UHFFFAOYSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001223541192 1311273653 /nfs/dbraw/zinc/27/36/53/1311273653.db2.gz KGGJNXWTFXIUNL-GOSISDBHSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001223577798 1311277883 /nfs/dbraw/zinc/27/78/83/1311277883.db2.gz GSMYAPOFXGCELQ-INIZCTEOSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001102143765 1311287483 /nfs/dbraw/zinc/28/74/83/1311287483.db2.gz CEBVVIAFQDRXEW-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001102143765 1311287487 /nfs/dbraw/zinc/28/74/87/1311287487.db2.gz CEBVVIAFQDRXEW-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001223661195 1311288069 /nfs/dbraw/zinc/28/80/69/1311288069.db2.gz MOCNYKFJSBTGPD-QGZVFWFLSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001223661195 1311288073 /nfs/dbraw/zinc/28/80/73/1311288073.db2.gz MOCNYKFJSBTGPD-QGZVFWFLSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001223660732 1311288349 /nfs/dbraw/zinc/28/83/49/1311288349.db2.gz DODDOQABGZUQST-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C[NH+]1CCN(c2cccc(NC34CCC(C#N)(CC3)CC4)[nH+]2)CC1 ZINC001158785219 1311388126 /nfs/dbraw/zinc/38/81/26/1311388126.db2.gz MIASGKWCOMUQRH-UHFFFAOYSA-N 2 2 325.460 2.862 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794997 1311389168 /nfs/dbraw/zinc/38/91/68/1311389168.db2.gz XBQUICBFGCEPMO-DOTOQJQBSA-N 2 2 332.492 2.928 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794997 1311389171 /nfs/dbraw/zinc/38/91/71/1311389171.db2.gz XBQUICBFGCEPMO-DOTOQJQBSA-N 2 2 332.492 2.928 20 30 EFEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158811737 1311393154 /nfs/dbraw/zinc/39/31/54/1311393154.db2.gz OWICKCCGYXHYEU-GOSISDBHSA-N 2 2 332.492 2.632 20 30 EFEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158811737 1311393156 /nfs/dbraw/zinc/39/31/56/1311393156.db2.gz OWICKCCGYXHYEU-GOSISDBHSA-N 2 2 332.492 2.632 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001096277227 1311397324 /nfs/dbraw/zinc/39/73/24/1311397324.db2.gz ZUXWBFCPCWKSRR-QYZOEREBSA-N 2 2 336.439 2.784 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001096277227 1311397327 /nfs/dbraw/zinc/39/73/27/1311397327.db2.gz ZUXWBFCPCWKSRR-QYZOEREBSA-N 2 2 336.439 2.784 20 30 EFEDLP CCCCCCC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225174400 1311486446 /nfs/dbraw/zinc/48/64/46/1311486446.db2.gz NJOBLFPISZWATJ-UHFFFAOYSA-N 2 2 334.508 2.761 20 30 EFEDLP C=CCCCCC[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225310746 1311505823 /nfs/dbraw/zinc/50/58/23/1311505823.db2.gz WLOBJNHMQPDBKB-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433611 1311513961 /nfs/dbraw/zinc/51/39/61/1311513961.db2.gz LQZGKRYUMVSXIT-HZPDHXFCSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433611 1311513963 /nfs/dbraw/zinc/51/39/63/1311513963.db2.gz LQZGKRYUMVSXIT-HZPDHXFCSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433611 1311513965 /nfs/dbraw/zinc/51/39/65/1311513965.db2.gz LQZGKRYUMVSXIT-HZPDHXFCSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433611 1311513966 /nfs/dbraw/zinc/51/39/66/1311513966.db2.gz LQZGKRYUMVSXIT-HZPDHXFCSA-N 2 2 339.911 2.584 20 30 EFEDLP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001225551918 1311541826 /nfs/dbraw/zinc/54/18/26/1311541826.db2.gz YYJVJJJRKFLWPD-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C=CCC[NH+]1CCC(CNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001225551918 1311541830 /nfs/dbraw/zinc/54/18/30/1311541830.db2.gz YYJVJJJRKFLWPD-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001225652465 1311560315 /nfs/dbraw/zinc/56/03/15/1311560315.db2.gz GSSRZKNDBVHKFM-UHFFFAOYSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225652465 1311560316 /nfs/dbraw/zinc/56/03/16/1311560316.db2.gz GSSRZKNDBVHKFM-UHFFFAOYSA-N 2 2 349.906 2.699 20 30 EFEDLP Cn1c[nH+]cc1CCCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000902282716 1311604077 /nfs/dbraw/zinc/60/40/77/1311604077.db2.gz SYXXLTXXPXZTLR-UHFFFAOYSA-N 2 2 341.459 2.680 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330951 1311690944 /nfs/dbraw/zinc/69/09/44/1311690944.db2.gz PRUWUMCENWGWTL-INIZCTEOSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330951 1311690946 /nfs/dbraw/zinc/69/09/46/1311690946.db2.gz PRUWUMCENWGWTL-INIZCTEOSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330951 1311690949 /nfs/dbraw/zinc/69/09/49/1311690949.db2.gz PRUWUMCENWGWTL-INIZCTEOSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330951 1311690951 /nfs/dbraw/zinc/69/09/51/1311690951.db2.gz PRUWUMCENWGWTL-INIZCTEOSA-N 2 2 330.476 2.835 20 30 EFEDLP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798576 1311783891 /nfs/dbraw/zinc/78/38/91/1311783891.db2.gz MCUQIDQAAUWYPO-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798576 1311783895 /nfs/dbraw/zinc/78/38/95/1311783895.db2.gz MCUQIDQAAUWYPO-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001227464126 1311809220 /nfs/dbraw/zinc/80/92/20/1311809220.db2.gz DBOXJCHWKHBIHZ-INIZCTEOSA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227673000 1311837347 /nfs/dbraw/zinc/83/73/47/1311837347.db2.gz GUSKSKZNNGGEBU-GVDBMIGSSA-N 2 2 332.492 2.724 20 30 EFEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001227775989 1311853948 /nfs/dbraw/zinc/85/39/48/1311853948.db2.gz HXOVTRPEKJHDSO-RTBURBONSA-N 2 2 336.439 2.526 20 30 EFEDLP N#Cc1c(NCc2c[nH+]cn2CC2CCC2)ncc2c1CCC[NH2+]C2 ZINC001161530184 1311908101 /nfs/dbraw/zinc/90/81/01/1311908101.db2.gz WWFSKBKBTXOFAU-UHFFFAOYSA-N 2 2 336.443 2.598 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249471 1311920223 /nfs/dbraw/zinc/92/02/23/1311920223.db2.gz LYJSZEXJECCPMM-OAHLLOKOSA-N 2 2 326.444 2.883 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001228668564 1311978676 /nfs/dbraw/zinc/97/86/76/1311978676.db2.gz AYQXBRXWPVLABU-QBPKDAKJSA-N 2 2 330.476 2.507 20 30 EFEDLP COc1cccc(CC2([NH3+])CCN(c3cc(CC#N)cc[nH+]3)CC2)c1 ZINC001162049779 1312038611 /nfs/dbraw/zinc/03/86/11/1312038611.db2.gz NERQUXPNBXBRPZ-UHFFFAOYSA-N 2 2 336.439 2.697 20 30 EFEDLP C=CC[NH+]1CCC(CNC(=O)c2c(C)cc(C)[nH+]c2C)(COC)CC1 ZINC001162362118 1312094332 /nfs/dbraw/zinc/09/43/32/1312094332.db2.gz AOTTUHNINSEBAO-UHFFFAOYSA-N 2 2 345.487 2.651 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162395928 1312097871 /nfs/dbraw/zinc/09/78/71/1312097871.db2.gz GMCSZRJVZAMJRO-UJEBLBKISA-N 2 2 336.505 2.953 20 30 EFEDLP Cc1nc(O[C@@H](C)C[NH+](C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229769547 1312136048 /nfs/dbraw/zinc/13/60/48/1312136048.db2.gz RZWRPAXYDREVSV-ZDUSSCGKSA-N 2 2 335.411 2.905 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163274954 1312280270 /nfs/dbraw/zinc/28/02/70/1312280270.db2.gz LMWSZNWMUULOJR-SFHVURJKSA-N 2 2 341.540 2.554 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163274954 1312280273 /nfs/dbraw/zinc/28/02/73/1312280273.db2.gz LMWSZNWMUULOJR-SFHVURJKSA-N 2 2 341.540 2.554 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618380 1312286150 /nfs/dbraw/zinc/28/61/50/1312286150.db2.gz MBOPCPOSCKOYJA-IBGZPJMESA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618380 1312286152 /nfs/dbraw/zinc/28/61/52/1312286152.db2.gz MBOPCPOSCKOYJA-IBGZPJMESA-N 2 2 344.503 2.930 20 30 EFEDLP C[NH+](C)C1(CNc2ncc(C#N)c3ccsc32)CC[NH+](C)CC1 ZINC001164212049 1312469080 /nfs/dbraw/zinc/46/90/80/1312469080.db2.gz WTDCSWURWPYVHD-UHFFFAOYSA-N 2 2 329.473 2.606 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001231654657 1312541290 /nfs/dbraw/zinc/54/12/90/1312541290.db2.gz AWISZYNICQCSMS-NRFANRHFSA-N 2 2 326.484 2.991 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001231654657 1312541293 /nfs/dbraw/zinc/54/12/93/1312541293.db2.gz AWISZYNICQCSMS-NRFANRHFSA-N 2 2 326.484 2.991 20 30 EFEDLP C#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001231654657 1312541296 /nfs/dbraw/zinc/54/12/96/1312541296.db2.gz AWISZYNICQCSMS-NRFANRHFSA-N 2 2 326.484 2.991 20 30 EFEDLP C#Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001231654657 1312541298 /nfs/dbraw/zinc/54/12/98/1312541298.db2.gz AWISZYNICQCSMS-NRFANRHFSA-N 2 2 326.484 2.991 20 30 EFEDLP C#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001231659733 1312543218 /nfs/dbraw/zinc/54/32/18/1312543218.db2.gz SYJZCLYULPYLNF-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001231659733 1312543221 /nfs/dbraw/zinc/54/32/21/1312543221.db2.gz SYJZCLYULPYLNF-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001231659733 1312543225 /nfs/dbraw/zinc/54/32/25/1312543225.db2.gz SYJZCLYULPYLNF-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001231659733 1312543227 /nfs/dbraw/zinc/54/32/27/1312543227.db2.gz SYJZCLYULPYLNF-FCHUYYIVSA-N 2 2 338.495 2.991 20 30 EFEDLP C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232014127 1312606334 /nfs/dbraw/zinc/60/63/34/1312606334.db2.gz XVRJWYRJDDDMSR-UHFFFAOYSA-N 2 2 337.427 2.557 20 30 EFEDLP C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232014127 1312606337 /nfs/dbraw/zinc/60/63/37/1312606337.db2.gz XVRJWYRJDDDMSR-UHFFFAOYSA-N 2 2 337.427 2.557 20 30 EFEDLP CCCc1cc(C#N)c(-n2c(C)[nH+]c3c2CC[NH2+]CC3)nc1Cl ZINC001165352876 1312614738 /nfs/dbraw/zinc/61/47/38/1312614738.db2.gz GSUDQAABQZAKMD-UHFFFAOYSA-N 2 2 329.835 2.742 20 30 EFEDLP CCOC(=O)C1(C#N)CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232150200 1312634681 /nfs/dbraw/zinc/63/46/81/1312634681.db2.gz ULKXXNWNHWOISW-UHFFFAOYSA-N 2 2 347.434 2.556 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711793 1312668712 /nfs/dbraw/zinc/66/87/12/1312668712.db2.gz WSXNKIJAARJQOB-INIZCTEOSA-N 2 2 345.487 2.864 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052953564 1314513720 /nfs/dbraw/zinc/51/37/20/1314513720.db2.gz YCGVPOJSZVDYIF-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052953564 1314513723 /nfs/dbraw/zinc/51/37/23/1314513723.db2.gz YCGVPOJSZVDYIF-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001052953564 1314513728 /nfs/dbraw/zinc/51/37/28/1314513728.db2.gz YCGVPOJSZVDYIF-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001052953564 1314513732 /nfs/dbraw/zinc/51/37/32/1314513732.db2.gz YCGVPOJSZVDYIF-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCCCCC[C@@H](O)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001245954887 1314555735 /nfs/dbraw/zinc/55/57/35/1314555735.db2.gz DQIGWDLNJTXFPG-GOSISDBHSA-N 2 2 332.492 2.791 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024762 1314592922 /nfs/dbraw/zinc/59/29/22/1314592922.db2.gz RSTMTYDWGPQAII-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024762 1314592927 /nfs/dbraw/zinc/59/29/27/1314592927.db2.gz RSTMTYDWGPQAII-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246203304 1314597078 /nfs/dbraw/zinc/59/70/78/1314597078.db2.gz SCTYUDQAMRRGNG-QAPCUYQASA-N 2 2 345.487 2.918 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050584 1314637760 /nfs/dbraw/zinc/63/77/60/1314637760.db2.gz KIRUIFZFBUHFBE-MSOLQXFVSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050584 1314637763 /nfs/dbraw/zinc/63/77/63/1314637763.db2.gz KIRUIFZFBUHFBE-MSOLQXFVSA-N 2 2 344.503 2.787 20 30 EFEDLP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246529364 1314642802 /nfs/dbraw/zinc/64/28/02/1314642802.db2.gz KLXQTTQLPQBXOC-RBUKOAKNSA-N 2 2 326.488 2.991 20 30 EFEDLP CC(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246862771 1314698629 /nfs/dbraw/zinc/69/86/29/1314698629.db2.gz DEQZRJJNORDEKF-SJLPKXTDSA-N 2 2 330.451 2.596 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090248 1314699022 /nfs/dbraw/zinc/69/90/22/1314699022.db2.gz GCUDIPCBSPTHIU-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090248 1314699024 /nfs/dbraw/zinc/69/90/24/1314699024.db2.gz GCUDIPCBSPTHIU-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093644 1314703987 /nfs/dbraw/zinc/70/39/87/1314703987.db2.gz PDERYBMCFAPQNJ-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093644 1314703991 /nfs/dbraw/zinc/70/39/91/1314703991.db2.gz PDERYBMCFAPQNJ-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104239 1314724560 /nfs/dbraw/zinc/72/45/60/1314724560.db2.gz DCVBZWABYKXNCF-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104239 1314724564 /nfs/dbraw/zinc/72/45/64/1314724564.db2.gz DCVBZWABYKXNCF-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104574 1314726019 /nfs/dbraw/zinc/72/60/19/1314726019.db2.gz OYWWLJSTQZZHHE-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104574 1314726024 /nfs/dbraw/zinc/72/60/24/1314726024.db2.gz OYWWLJSTQZZHHE-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001053106676 1314730206 /nfs/dbraw/zinc/73/02/06/1314730206.db2.gz VPZBYUYFZHJAID-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001053106676 1314730209 /nfs/dbraw/zinc/73/02/09/1314730209.db2.gz VPZBYUYFZHJAID-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C#CC[C@H]([NH3+])c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001247610133 1314807861 /nfs/dbraw/zinc/80/78/61/1314807861.db2.gz VDCROBBXBROZMF-JKSUJKDBSA-N 2 2 337.358 2.631 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855605 1314886331 /nfs/dbraw/zinc/88/63/31/1314886331.db2.gz UMUJVLQSYGMUPO-LZLYRXPVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855605 1314886334 /nfs/dbraw/zinc/88/63/34/1314886334.db2.gz UMUJVLQSYGMUPO-LZLYRXPVSA-N 2 2 332.492 2.771 20 30 EFEDLP CCc1cc(C#N)ccc1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001248751266 1314957546 /nfs/dbraw/zinc/95/75/46/1314957546.db2.gz PYNNGIJQRNCOGZ-UHFFFAOYSA-N 2 2 335.455 2.850 20 30 EFEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153858 1315379118 /nfs/dbraw/zinc/37/91/18/1315379118.db2.gz LNNILVMCOZUQBK-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153858 1315379123 /nfs/dbraw/zinc/37/91/23/1315379123.db2.gz LNNILVMCOZUQBK-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154695 1315380721 /nfs/dbraw/zinc/38/07/21/1315380721.db2.gz UVWFOBORVLZUGO-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154695 1315380725 /nfs/dbraw/zinc/38/07/25/1315380725.db2.gz UVWFOBORVLZUGO-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195814 1315439146 /nfs/dbraw/zinc/43/91/46/1315439146.db2.gz PHDGTNOPGDKEGT-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195814 1315439151 /nfs/dbraw/zinc/43/91/51/1315439151.db2.gz PHDGTNOPGDKEGT-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[C@H](O)C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1OC ZINC001252610944 1315476286 /nfs/dbraw/zinc/47/62/86/1315476286.db2.gz SONJLPQIIBWKEP-SFHVURJKSA-N 2 2 347.503 2.965 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233711 1315497610 /nfs/dbraw/zinc/49/76/10/1315497610.db2.gz QOBCTHYKMHPDFY-IBGZPJMESA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233711 1315497613 /nfs/dbraw/zinc/49/76/13/1315497613.db2.gz QOBCTHYKMHPDFY-IBGZPJMESA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233712 1315497704 /nfs/dbraw/zinc/49/77/04/1315497704.db2.gz QOBCTHYKMHPDFY-LJQANCHMSA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233712 1315497709 /nfs/dbraw/zinc/49/77/09/1315497709.db2.gz QOBCTHYKMHPDFY-LJQANCHMSA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001039156459 1315553317 /nfs/dbraw/zinc/55/33/17/1315553317.db2.gz OGEYCBAPYWZPGO-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001039156459 1315553321 /nfs/dbraw/zinc/55/33/21/1315553321.db2.gz OGEYCBAPYWZPGO-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161044 1315558034 /nfs/dbraw/zinc/55/80/34/1315558034.db2.gz GSPOCNAHLKUMHA-AEFFLSMTSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161044 1315558040 /nfs/dbraw/zinc/55/80/40/1315558040.db2.gz GSPOCNAHLKUMHA-AEFFLSMTSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636484 1315566925 /nfs/dbraw/zinc/56/69/25/1315566925.db2.gz QWAKUHIQQYTDDH-GUDVDZBRSA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636484 1315566928 /nfs/dbraw/zinc/56/69/28/1315566928.db2.gz QWAKUHIQQYTDDH-GUDVDZBRSA-N 2 2 344.503 2.969 20 30 EFEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215970 1315633733 /nfs/dbraw/zinc/63/37/33/1315633733.db2.gz ZHNNTGGEWANHSL-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215970 1315633736 /nfs/dbraw/zinc/63/37/36/1315633736.db2.gz ZHNNTGGEWANHSL-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216685 1315635849 /nfs/dbraw/zinc/63/58/49/1315635849.db2.gz QOTPDOZFYGJJGG-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216685 1315635851 /nfs/dbraw/zinc/63/58/51/1315635851.db2.gz QOTPDOZFYGJJGG-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222189 1315642140 /nfs/dbraw/zinc/64/21/40/1315642140.db2.gz CGPPZQNFFNSXBO-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222189 1315642142 /nfs/dbraw/zinc/64/21/42/1315642142.db2.gz CGPPZQNFFNSXBO-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222300 1315642598 /nfs/dbraw/zinc/64/25/98/1315642598.db2.gz DTKNLUDSXGOWOC-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222300 1315642600 /nfs/dbraw/zinc/64/26/00/1315642600.db2.gz DTKNLUDSXGOWOC-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224958 1315645171 /nfs/dbraw/zinc/64/51/71/1315645171.db2.gz JMOJGJYZEPQNOR-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224958 1315645175 /nfs/dbraw/zinc/64/51/75/1315645175.db2.gz JMOJGJYZEPQNOR-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248784 1315679704 /nfs/dbraw/zinc/67/97/04/1315679704.db2.gz FAYLLKGDEPWYSB-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248784 1315679708 /nfs/dbraw/zinc/67/97/08/1315679708.db2.gz FAYLLKGDEPWYSB-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001000888295 1315695500 /nfs/dbraw/zinc/69/55/00/1315695500.db2.gz XQENKXBGVFCVTM-QGZVFWFLSA-N 2 2 339.911 2.608 20 30 EFEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000888295 1315695502 /nfs/dbraw/zinc/69/55/02/1315695502.db2.gz XQENKXBGVFCVTM-QGZVFWFLSA-N 2 2 339.911 2.608 20 30 EFEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888295 1315695504 /nfs/dbraw/zinc/69/55/04/1315695504.db2.gz XQENKXBGVFCVTM-QGZVFWFLSA-N 2 2 339.911 2.608 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888295 1315695505 /nfs/dbraw/zinc/69/55/05/1315695505.db2.gz XQENKXBGVFCVTM-QGZVFWFLSA-N 2 2 339.911 2.608 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001039284497 1315701624 /nfs/dbraw/zinc/70/16/24/1315701624.db2.gz SSZSFWVTULOESE-XYTVBORESA-N 2 2 342.487 2.511 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001039284497 1315701627 /nfs/dbraw/zinc/70/16/27/1315701627.db2.gz SSZSFWVTULOESE-XYTVBORESA-N 2 2 342.487 2.511 20 30 EFEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001254659496 1315735891 /nfs/dbraw/zinc/73/58/91/1315735891.db2.gz QETJQKURDDGHTB-SJLPKXTDSA-N 2 2 329.444 2.639 20 30 EFEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001254659496 1315735893 /nfs/dbraw/zinc/73/58/93/1315735893.db2.gz QETJQKURDDGHTB-SJLPKXTDSA-N 2 2 329.444 2.639 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254837168 1315747823 /nfs/dbraw/zinc/74/78/23/1315747823.db2.gz SCRMKJZFMYHPRE-NRFANRHFSA-N 2 2 338.499 2.597 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382308 1315752189 /nfs/dbraw/zinc/75/21/89/1315752189.db2.gz BBIDGFFXZNBDBJ-CVEARBPZSA-N 2 2 333.501 2.675 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382308 1315752192 /nfs/dbraw/zinc/75/21/92/1315752192.db2.gz BBIDGFFXZNBDBJ-CVEARBPZSA-N 2 2 333.501 2.675 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039388480 1315757715 /nfs/dbraw/zinc/75/77/15/1315757715.db2.gz UFUKQPIQEFTKBD-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388480 1315757719 /nfs/dbraw/zinc/75/77/19/1315757719.db2.gz UFUKQPIQEFTKBD-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388480 1315757723 /nfs/dbraw/zinc/75/77/23/1315757723.db2.gz UFUKQPIQEFTKBD-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388480 1315757728 /nfs/dbraw/zinc/75/77/28/1315757728.db2.gz UFUKQPIQEFTKBD-ZACQAIPSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401941 1315767162 /nfs/dbraw/zinc/76/71/62/1315767162.db2.gz YPINTDSTTWIBAR-CVEARBPZSA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401941 1315767164 /nfs/dbraw/zinc/76/71/64/1315767164.db2.gz YPINTDSTTWIBAR-CVEARBPZSA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039405709 1315769946 /nfs/dbraw/zinc/76/99/46/1315769946.db2.gz CFTZCGSDWJBUPZ-WBVHZDCISA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039405709 1315769950 /nfs/dbraw/zinc/76/99/50/1315769950.db2.gz CFTZCGSDWJBUPZ-WBVHZDCISA-N 2 2 344.846 2.766 20 30 EFEDLP N#CCCN1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255405039 1315819319 /nfs/dbraw/zinc/81/93/19/1315819319.db2.gz VPUIXSDZWJXFOW-HXUWFJFHSA-N 2 2 326.488 2.572 20 30 EFEDLP N#CCCN1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255405039 1315819322 /nfs/dbraw/zinc/81/93/22/1315819322.db2.gz VPUIXSDZWJXFOW-HXUWFJFHSA-N 2 2 326.488 2.572 20 30 EFEDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963848 1316014813 /nfs/dbraw/zinc/01/48/13/1316014813.db2.gz RBXZRDHRVPWEJP-DXBWTPJFSA-N 2 2 327.472 2.948 20 30 EFEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963848 1316014816 /nfs/dbraw/zinc/01/48/16/1316014816.db2.gz RBXZRDHRVPWEJP-DXBWTPJFSA-N 2 2 327.472 2.948 20 30 EFEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCC(C#N)CC1)CC2 ZINC001256963847 1316015154 /nfs/dbraw/zinc/01/51/54/1316015154.db2.gz NKAXCCCLXUNPDR-UHFFFAOYSA-N 2 2 329.492 2.966 20 30 EFEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCC(C#N)CC1)CC2 ZINC001256963847 1316015158 /nfs/dbraw/zinc/01/51/58/1316015158.db2.gz NKAXCCCLXUNPDR-UHFFFAOYSA-N 2 2 329.492 2.966 20 30 EFEDLP C[NH+]1CCC(CO)([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257015781 1316021812 /nfs/dbraw/zinc/02/18/12/1316021812.db2.gz NCWWSWXPRQVOFF-UHFFFAOYSA-N 2 2 327.472 2.631 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182420 1316134111 /nfs/dbraw/zinc/13/41/11/1316134111.db2.gz XKVLIFLSCTYPPN-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182420 1316134113 /nfs/dbraw/zinc/13/41/13/1316134113.db2.gz XKVLIFLSCTYPPN-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001040209461 1316144806 /nfs/dbraw/zinc/14/48/06/1316144806.db2.gz PODJPSZYGFLUGL-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001040209461 1316144808 /nfs/dbraw/zinc/14/48/08/1316144808.db2.gz PODJPSZYGFLUGL-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040263062 1316172921 /nfs/dbraw/zinc/17/29/21/1316172921.db2.gz XCBMTVXOIWAEFV-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040263062 1316172923 /nfs/dbraw/zinc/17/29/23/1316172923.db2.gz XCBMTVXOIWAEFV-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425121 1316257206 /nfs/dbraw/zinc/25/72/06/1316257206.db2.gz QBVRTEAIZRAUHV-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425121 1316257209 /nfs/dbraw/zinc/25/72/09/1316257209.db2.gz QBVRTEAIZRAUHV-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133123 1316900765 /nfs/dbraw/zinc/90/07/65/1316900765.db2.gz HUUUESUVNZPYJM-PBHICJAKSA-N 2 2 344.846 2.623 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133123 1316900771 /nfs/dbraw/zinc/90/07/71/1316900771.db2.gz HUUUESUVNZPYJM-PBHICJAKSA-N 2 2 344.846 2.623 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001343456593 1332348566 /nfs/dbraw/zinc/34/85/66/1332348566.db2.gz IMTCEXNDESVDMK-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001343456593 1332348567 /nfs/dbraw/zinc/34/85/67/1332348567.db2.gz IMTCEXNDESVDMK-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001343456593 1332348569 /nfs/dbraw/zinc/34/85/69/1332348569.db2.gz IMTCEXNDESVDMK-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001343456593 1332348572 /nfs/dbraw/zinc/34/85/72/1332348572.db2.gz IMTCEXNDESVDMK-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929835 1334993160 /nfs/dbraw/zinc/99/31/60/1334993160.db2.gz JUIKMSNNOVZZPC-HXUWFJFHSA-N 2 2 342.483 2.775 20 30 EFEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929835 1334993164 /nfs/dbraw/zinc/99/31/64/1334993164.db2.gz JUIKMSNNOVZZPC-HXUWFJFHSA-N 2 2 342.483 2.775 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001366666701 1337827810 /nfs/dbraw/zinc/82/78/10/1337827810.db2.gz XVLFWJMZULOLPM-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001366666701 1337827815 /nfs/dbraw/zinc/82/78/15/1337827815.db2.gz XVLFWJMZULOLPM-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001366920908 1338201018 /nfs/dbraw/zinc/20/10/18/1338201018.db2.gz JQCKUTFGXKCYJT-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001366920908 1338201021 /nfs/dbraw/zinc/20/10/21/1338201021.db2.gz JQCKUTFGXKCYJT-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001367629435 1338888454 /nfs/dbraw/zinc/88/84/54/1338888454.db2.gz CZUNBYPQTUNFQF-ZIAGYGMSSA-N 2 2 332.835 2.575 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001373907850 1341198716 /nfs/dbraw/zinc/19/87/16/1341198716.db2.gz YGDRHMNHDIKGHR-SUMWQHHRSA-N 2 2 338.883 2.750 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001375872848 1343119375 /nfs/dbraw/zinc/11/93/75/1343119375.db2.gz HKIJDTCPBJJUMW-SFHVURJKSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001376592773 1343709399 /nfs/dbraw/zinc/70/93/99/1343709399.db2.gz QZMDOFDAVFAGFW-MRXNPFEDSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001376592773 1343709402 /nfs/dbraw/zinc/70/94/02/1343709402.db2.gz QZMDOFDAVFAGFW-MRXNPFEDSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001377670384 1344297181 /nfs/dbraw/zinc/29/71/81/1344297181.db2.gz SFVCRTYJQMZTKC-INIZCTEOSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001377670384 1344297183 /nfs/dbraw/zinc/29/71/83/1344297183.db2.gz SFVCRTYJQMZTKC-INIZCTEOSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)c1cccc2[nH+]ccn21 ZINC001378436602 1345074907 /nfs/dbraw/zinc/07/49/07/1345074907.db2.gz AARIPAUXYCJLAK-CQSZACIVSA-N 2 2 334.851 2.965 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001391285510 1355020580 /nfs/dbraw/zinc/02/05/80/1355020580.db2.gz VCOWBASOFNZFFS-KRWDZBQOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001391285510 1355020585 /nfs/dbraw/zinc/02/05/85/1355020585.db2.gz VCOWBASOFNZFFS-KRWDZBQOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001392198715 1355855161 /nfs/dbraw/zinc/85/51/61/1355855161.db2.gz UDNJHEGXBWZORG-BBRMVZONSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1CC ZINC001406806682 1368079561 /nfs/dbraw/zinc/07/95/61/1368079561.db2.gz KRPQCFCNUAOTDL-HOTGVXAUSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001407688376 1369113775 /nfs/dbraw/zinc/11/37/75/1369113775.db2.gz IDBVKMYBIONMLV-HNNXBMFYSA-N 2 2 346.862 2.993 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001417908174 1373402769 /nfs/dbraw/zinc/40/27/69/1373402769.db2.gz JQCKUTFGXKCYJT-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001417908174 1373402771 /nfs/dbraw/zinc/40/27/71/1373402771.db2.gz JQCKUTFGXKCYJT-INIZCTEOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001418551423 1374166094 /nfs/dbraw/zinc/16/60/94/1374166094.db2.gz YPWHVLZQHZJONC-MRXNPFEDSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001418551423 1374166101 /nfs/dbraw/zinc/16/61/01/1374166101.db2.gz YPWHVLZQHZJONC-MRXNPFEDSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001418551423 1374166105 /nfs/dbraw/zinc/16/61/05/1374166105.db2.gz YPWHVLZQHZJONC-MRXNPFEDSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001418551423 1374166109 /nfs/dbraw/zinc/16/61/09/1374166109.db2.gz YPWHVLZQHZJONC-MRXNPFEDSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001418860189 1374586147 /nfs/dbraw/zinc/58/61/47/1374586147.db2.gz SLDVOGJPTYWBMW-SFHVURJKSA-N 2 2 349.906 2.918 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421362819 1378544643 /nfs/dbraw/zinc/54/46/43/1378544643.db2.gz QVBCIRHZBWQKBP-QGZVFWFLSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421362819 1378544644 /nfs/dbraw/zinc/54/46/44/1378544644.db2.gz QVBCIRHZBWQKBP-QGZVFWFLSA-N 2 2 341.927 2.928 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC(F)(F)[C@H]3O)CC2)cc1 ZINC001474178348 1397365114 /nfs/dbraw/zinc/36/51/14/1397365114.db2.gz TYFLFGHYLRWBDP-MSOLQXFVSA-N 2 2 349.425 2.661 20 30 EFEDLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)c(C)[nH+]1 ZINC001020414190 712964354 /nfs/dbraw/zinc/96/43/54/712964354.db2.gz YCIROBDCLGRMDK-WGSAOQKQSA-N 2 2 348.450 2.929 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969675377 713215326 /nfs/dbraw/zinc/21/53/26/713215326.db2.gz TVJGMMOVEKQAJT-OAHLLOKOSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000970221911 713574184 /nfs/dbraw/zinc/57/41/84/713574184.db2.gz BCYPHMKKSNORKW-INIZCTEOSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222186 714032310 /nfs/dbraw/zinc/03/23/10/714032310.db2.gz CGPPZQNFFNSXBO-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222186 714032312 /nfs/dbraw/zinc/03/23/12/714032312.db2.gz CGPPZQNFFNSXBO-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633707 714210619 /nfs/dbraw/zinc/21/06/19/714210619.db2.gz SLPYSHROOPGBOU-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633707 714210621 /nfs/dbraw/zinc/21/06/21/714210621.db2.gz SLPYSHROOPGBOU-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450188 714639529 /nfs/dbraw/zinc/63/95/29/714639529.db2.gz PSFFOQWGYBBXLT-JSGCOSHPSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450188 714639530 /nfs/dbraw/zinc/63/95/30/714639530.db2.gz PSFFOQWGYBBXLT-JSGCOSHPSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561697 714708645 /nfs/dbraw/zinc/70/86/45/714708645.db2.gz AWBBULYZZXUFHC-CABCVRRESA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561697 714708647 /nfs/dbraw/zinc/70/86/47/714708647.db2.gz AWBBULYZZXUFHC-CABCVRRESA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024615450 718027735 /nfs/dbraw/zinc/02/77/35/718027735.db2.gz SQCDFKGZVQLPJW-IRXDYDNUSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615450 718027736 /nfs/dbraw/zinc/02/77/36/718027736.db2.gz SQCDFKGZVQLPJW-IRXDYDNUSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615450 718027742 /nfs/dbraw/zinc/02/77/42/718027742.db2.gz SQCDFKGZVQLPJW-IRXDYDNUSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615450 718027748 /nfs/dbraw/zinc/02/77/48/718027748.db2.gz SQCDFKGZVQLPJW-IRXDYDNUSA-N 2 2 341.927 2.832 20 30 EFEDLP COc1ccc(OC)c(NC(=[NH2+])NCCCCNc2cccc[nH+]2)c1 ZINC000104192062 715254644 /nfs/dbraw/zinc/25/46/44/715254644.db2.gz PTMBGPOWBBCYQU-UHFFFAOYSA-N 2 2 343.431 2.718 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506445 715682611 /nfs/dbraw/zinc/68/26/11/715682611.db2.gz QFJAZBMXKLHSKQ-UKRRQHHQSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506445 715682614 /nfs/dbraw/zinc/68/26/14/715682614.db2.gz QFJAZBMXKLHSKQ-UKRRQHHQSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001027410858 715703513 /nfs/dbraw/zinc/70/35/13/715703513.db2.gz HVLKUCNNEYXQCQ-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001027410858 715703515 /nfs/dbraw/zinc/70/35/15/715703515.db2.gz HVLKUCNNEYXQCQ-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977416658 716162412 /nfs/dbraw/zinc/16/24/12/716162412.db2.gz WEVQTMVLXDJMGF-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977416658 716162415 /nfs/dbraw/zinc/16/24/15/716162415.db2.gz WEVQTMVLXDJMGF-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370377 716394275 /nfs/dbraw/zinc/39/42/75/716394275.db2.gz KXCXBWRMDACKIP-OAHLLOKOSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370377 716394279 /nfs/dbraw/zinc/39/42/79/716394279.db2.gz KXCXBWRMDACKIP-OAHLLOKOSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586127 716662385 /nfs/dbraw/zinc/66/23/85/716662385.db2.gz UVGVJYMTAZGJMF-HZPDHXFCSA-N 2 2 330.476 2.624 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586127 716662389 /nfs/dbraw/zinc/66/23/89/716662389.db2.gz UVGVJYMTAZGJMF-HZPDHXFCSA-N 2 2 330.476 2.624 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681572 716809845 /nfs/dbraw/zinc/80/98/45/716809845.db2.gz MZUBNGFUOIFPMK-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681572 716809851 /nfs/dbraw/zinc/80/98/51/716809851.db2.gz MZUBNGFUOIFPMK-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980470010 717306987 /nfs/dbraw/zinc/30/69/87/717306987.db2.gz BMYRAMJBRPQABC-KRWDZBQOSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980470010 717306990 /nfs/dbraw/zinc/30/69/90/717306990.db2.gz BMYRAMJBRPQABC-KRWDZBQOSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490809 717343387 /nfs/dbraw/zinc/34/33/87/717343387.db2.gz MOKZYEUDJVDYJY-DLBZAZTESA-N 2 2 335.879 2.575 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490809 717343391 /nfs/dbraw/zinc/34/33/91/717343391.db2.gz MOKZYEUDJVDYJY-DLBZAZTESA-N 2 2 335.879 2.575 20 30 EFEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979714504 717359925 /nfs/dbraw/zinc/35/99/25/717359925.db2.gz PBXDMHFZFKYAKD-RCCFBDPRSA-N 2 2 338.455 2.659 20 30 EFEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC000979714504 717359927 /nfs/dbraw/zinc/35/99/27/717359927.db2.gz PBXDMHFZFKYAKD-RCCFBDPRSA-N 2 2 338.455 2.659 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027942638 717369630 /nfs/dbraw/zinc/36/96/30/717369630.db2.gz FUEBJRHCWSLWPW-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027942638 717369636 /nfs/dbraw/zinc/36/96/36/717369636.db2.gz FUEBJRHCWSLWPW-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027942638 717369642 /nfs/dbraw/zinc/36/96/42/717369642.db2.gz FUEBJRHCWSLWPW-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027942638 717369647 /nfs/dbraw/zinc/36/96/47/717369647.db2.gz FUEBJRHCWSLWPW-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979972235 717625995 /nfs/dbraw/zinc/62/59/95/717625995.db2.gz ALTFIQFGGYFHOM-BZSNNMDCSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979972235 717625999 /nfs/dbraw/zinc/62/59/99/717625999.db2.gz ALTFIQFGGYFHOM-BZSNNMDCSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979972251 717626241 /nfs/dbraw/zinc/62/62/41/717626241.db2.gz ALTFIQFGGYFHOM-OKZBNKHCSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979972251 717626243 /nfs/dbraw/zinc/62/62/43/717626243.db2.gz ALTFIQFGGYFHOM-OKZBNKHCSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981091594 718114757 /nfs/dbraw/zinc/11/47/57/718114757.db2.gz OQXWAASZKOMZTO-IRXDYDNUSA-N 2 2 326.444 2.849 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235537 718451375 /nfs/dbraw/zinc/45/13/75/718451375.db2.gz ASKRJQJJYMMFIF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235537 718451376 /nfs/dbraw/zinc/45/13/76/718451376.db2.gz ASKRJQJJYMMFIF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235537 718451377 /nfs/dbraw/zinc/45/13/77/718451377.db2.gz ASKRJQJJYMMFIF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235537 718451379 /nfs/dbraw/zinc/45/13/79/718451379.db2.gz ASKRJQJJYMMFIF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253551 718479401 /nfs/dbraw/zinc/47/94/01/718479401.db2.gz WABYMQVSFIUSMD-ZWKOTPCHSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253551 718479402 /nfs/dbraw/zinc/47/94/02/718479402.db2.gz WABYMQVSFIUSMD-ZWKOTPCHSA-N 2 2 344.503 2.774 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287071 718523176 /nfs/dbraw/zinc/52/31/76/718523176.db2.gz BTIKDTHFBHHXID-SJORKVTESA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287071 718523182 /nfs/dbraw/zinc/52/31/82/718523182.db2.gz BTIKDTHFBHHXID-SJORKVTESA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289762 718529883 /nfs/dbraw/zinc/52/98/83/718529883.db2.gz SBUDQHXDJVBNFX-RBUKOAKNSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289762 718529886 /nfs/dbraw/zinc/52/98/86/718529886.db2.gz SBUDQHXDJVBNFX-RBUKOAKNSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(Cl)C[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981332019 718633142 /nfs/dbraw/zinc/63/31/42/718633142.db2.gz PWVGQBYLGSIZJR-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981332019 718633144 /nfs/dbraw/zinc/63/31/44/718633144.db2.gz PWVGQBYLGSIZJR-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332019 718633146 /nfs/dbraw/zinc/63/31/46/718633146.db2.gz PWVGQBYLGSIZJR-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332019 718633149 /nfs/dbraw/zinc/63/31/49/718633149.db2.gz PWVGQBYLGSIZJR-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981539455 718798202 /nfs/dbraw/zinc/79/82/02/718798202.db2.gz WJKXZRKUIUIZKQ-SJORKVTESA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981539455 718798204 /nfs/dbraw/zinc/79/82/04/718798204.db2.gz WJKXZRKUIUIZKQ-SJORKVTESA-N 2 2 347.528 2.699 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420376 718799350 /nfs/dbraw/zinc/79/93/50/718799350.db2.gz AWHMVICDFJDRAN-RDJZCZTQSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420376 718799352 /nfs/dbraw/zinc/79/93/52/718799352.db2.gz AWHMVICDFJDRAN-RDJZCZTQSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457716 718903518 /nfs/dbraw/zinc/90/35/18/718903518.db2.gz DSLWRMGFNYUFPM-CABCVRRESA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457716 718903522 /nfs/dbraw/zinc/90/35/22/718903522.db2.gz DSLWRMGFNYUFPM-CABCVRRESA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457717 718903704 /nfs/dbraw/zinc/90/37/04/718903704.db2.gz DSLWRMGFNYUFPM-GJZGRUSLSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457717 718903707 /nfs/dbraw/zinc/90/37/07/718903707.db2.gz DSLWRMGFNYUFPM-GJZGRUSLSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025489815 719007888 /nfs/dbraw/zinc/00/78/88/719007888.db2.gz OICJTULGDCWTPK-HOTGVXAUSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025489815 719007892 /nfs/dbraw/zinc/00/78/92/719007892.db2.gz OICJTULGDCWTPK-HOTGVXAUSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001026514672 720697007 /nfs/dbraw/zinc/69/70/07/720697007.db2.gz NSOLHZMKVKYEFJ-UHFFFAOYSA-N 2 2 338.883 2.696 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974675165 721265735 /nfs/dbraw/zinc/26/57/35/721265735.db2.gz ASNBADPQEMJFHF-JKSUJKDBSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974675165 721265738 /nfs/dbraw/zinc/26/57/38/721265738.db2.gz ASNBADPQEMJFHF-JKSUJKDBSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974675165 721265741 /nfs/dbraw/zinc/26/57/41/721265741.db2.gz ASNBADPQEMJFHF-JKSUJKDBSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974675165 721265745 /nfs/dbraw/zinc/26/57/45/721265745.db2.gz ASNBADPQEMJFHF-JKSUJKDBSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000986607687 724797429 /nfs/dbraw/zinc/79/74/29/724797429.db2.gz CNASHJOJWOKFRB-WMLDXEAASA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903651 722085204 /nfs/dbraw/zinc/08/52/04/722085204.db2.gz YVMXTWHAAWNUPC-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903651 722085205 /nfs/dbraw/zinc/08/52/05/722085205.db2.gz YVMXTWHAAWNUPC-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCSC2(CCCCC2)C1 ZINC000262052811 722832340 /nfs/dbraw/zinc/83/23/40/722832340.db2.gz ZWNSXQHUVNRMSR-UHFFFAOYSA-N 2 2 335.521 2.600 20 30 EFEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)N1 ZINC000262647457 724906129 /nfs/dbraw/zinc/90/61/29/724906129.db2.gz JNOFVIDIDNZEHL-YOEHRIQHSA-N 2 2 340.496 2.785 20 30 EFEDLP C[C@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)N1 ZINC000262647457 724906131 /nfs/dbraw/zinc/90/61/31/724906131.db2.gz JNOFVIDIDNZEHL-YOEHRIQHSA-N 2 2 340.496 2.785 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992034941 725478529 /nfs/dbraw/zinc/47/85/29/725478529.db2.gz XJGBBXMEKHBGCV-FPOVZHCZSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992034941 725478530 /nfs/dbraw/zinc/47/85/30/725478530.db2.gz XJGBBXMEKHBGCV-FPOVZHCZSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000987300506 725635195 /nfs/dbraw/zinc/63/51/95/725635195.db2.gz OSDFGKNGXHYGJS-RHSMWYFYSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000987300505 725635464 /nfs/dbraw/zinc/63/54/64/725635464.db2.gz OSDFGKNGXHYGJS-PBHICJAKSA-N 2 2 344.846 2.817 20 30 EFEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC000992688760 726115532 /nfs/dbraw/zinc/11/55/32/726115532.db2.gz KNKSBBBMNWVWRO-KZNAEPCWSA-N 2 2 338.455 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC000992755155 726182404 /nfs/dbraw/zinc/18/24/04/726182404.db2.gz WNIZTOSZTUWGEL-YXJHDRRASA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993336801 727144594 /nfs/dbraw/zinc/14/45/94/727144594.db2.gz MUVGJKBESWIWCZ-WMZOPIPTSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993336801 727144595 /nfs/dbraw/zinc/14/45/95/727144595.db2.gz MUVGJKBESWIWCZ-WMZOPIPTSA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993357992 727160570 /nfs/dbraw/zinc/16/05/70/727160570.db2.gz YBTFUVJLRSGJGJ-WBVHZDCISA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993357992 727160573 /nfs/dbraw/zinc/16/05/73/727160573.db2.gz YBTFUVJLRSGJGJ-WBVHZDCISA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535390 727300315 /nfs/dbraw/zinc/30/03/15/727300315.db2.gz UERWHODLCKKVDK-RHSMWYFYSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535390 727300319 /nfs/dbraw/zinc/30/03/19/727300319.db2.gz UERWHODLCKKVDK-RHSMWYFYSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991448510 727826747 /nfs/dbraw/zinc/82/67/47/727826747.db2.gz RRPWFNJISAZFPT-MBOZVWFJSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991448510 727826748 /nfs/dbraw/zinc/82/67/48/727826748.db2.gz RRPWFNJISAZFPT-MBOZVWFJSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947334006 728350273 /nfs/dbraw/zinc/35/02/73/728350273.db2.gz HYVFYORHZCYNFC-IRXDYDNUSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947334006 728350276 /nfs/dbraw/zinc/35/02/76/728350276.db2.gz HYVFYORHZCYNFC-IRXDYDNUSA-N 2 2 344.503 2.697 20 30 EFEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000172112289 728568203 /nfs/dbraw/zinc/56/82/03/728568203.db2.gz LQUQBIVYJMPWLC-FQEVSTJZSA-N 2 2 330.472 2.535 20 30 EFEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000172112289 728568204 /nfs/dbraw/zinc/56/82/04/728568204.db2.gz LQUQBIVYJMPWLC-FQEVSTJZSA-N 2 2 330.472 2.535 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001580065439 1090759761 /nfs/dbraw/zinc/75/97/61/1090759761.db2.gz HKMYVNIDDZHLIN-KSSFIOAISA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001580065439 1090759766 /nfs/dbraw/zinc/75/97/66/1090759766.db2.gz HKMYVNIDDZHLIN-KSSFIOAISA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066733 1090760671 /nfs/dbraw/zinc/76/06/71/1090760671.db2.gz RWHRPTRAOQNGDM-RDJZCZTQSA-N 2 2 328.416 2.821 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066733 1090760678 /nfs/dbraw/zinc/76/06/78/1090760678.db2.gz RWHRPTRAOQNGDM-RDJZCZTQSA-N 2 2 328.416 2.821 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3sccc3N)CC2)c1 ZINC001580076311 1090765139 /nfs/dbraw/zinc/76/51/39/1090765139.db2.gz UCMNDTWZKOFWJC-UHFFFAOYSA-N 2 2 326.469 2.956 20 30 EFEDLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)cc1 ZINC001267138702 1092880068 /nfs/dbraw/zinc/88/00/68/1092880068.db2.gz ZUPGSNZDURVFJC-HNNXBMFYSA-N 2 2 347.422 2.504 20 30 EFEDLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC001650154857 1092982744 /nfs/dbraw/zinc/98/27/44/1092982744.db2.gz VGWNTRWHMGHDRL-IRXDYDNUSA-N 2 2 326.444 2.594 20 30 EFEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728902 1094764713 /nfs/dbraw/zinc/76/47/13/1094764713.db2.gz GVCCMJXVBCQBBA-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161188 1094998858 /nfs/dbraw/zinc/99/88/58/1094998858.db2.gz PUBMWWYRPSFKLW-DLBZAZTESA-N 2 2 338.455 2.931 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306803 1095194369 /nfs/dbraw/zinc/19/43/69/1095194369.db2.gz ORJLKJUJQYYLMO-NXHRZFHOSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306803 1095194377 /nfs/dbraw/zinc/19/43/77/1095194377.db2.gz ORJLKJUJQYYLMO-NXHRZFHOSA-N 2 2 330.476 2.524 20 30 EFEDLP N#Cc1cccc(NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001620532419 1099357973 /nfs/dbraw/zinc/35/79/73/1099357973.db2.gz KEYDDPOICBTRMB-LJQANCHMSA-N 2 2 345.406 2.724 20 30 EFEDLP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112535919 1099671838 /nfs/dbraw/zinc/67/18/38/1099671838.db2.gz HSHZXDMOPNUQTL-PXNSSMCTSA-N 2 2 344.503 2.917 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481411879 1099675309 /nfs/dbraw/zinc/67/53/09/1099675309.db2.gz LDBQZXJSCIBAHB-KRWDZBQOSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481411879 1099675314 /nfs/dbraw/zinc/67/53/14/1099675314.db2.gz LDBQZXJSCIBAHB-KRWDZBQOSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075791492 1099954070 /nfs/dbraw/zinc/95/40/70/1099954070.db2.gz PKBABSYNCVADKF-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075791492 1099954083 /nfs/dbraw/zinc/95/40/83/1099954083.db2.gz PKBABSYNCVADKF-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630851 1100613083 /nfs/dbraw/zinc/61/30/83/1100613083.db2.gz ZPNDXYRTYHQKKY-HHXXYDBFSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630851 1100613084 /nfs/dbraw/zinc/61/30/84/1100613084.db2.gz ZPNDXYRTYHQKKY-HHXXYDBFSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630851 1100613087 /nfs/dbraw/zinc/61/30/87/1100613087.db2.gz ZPNDXYRTYHQKKY-HHXXYDBFSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630851 1100613091 /nfs/dbraw/zinc/61/30/91/1100613091.db2.gz ZPNDXYRTYHQKKY-HHXXYDBFSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636432 1100617932 /nfs/dbraw/zinc/61/79/32/1100617932.db2.gz PVFNYOYIUUAVTF-BBWFWOEESA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636432 1100617938 /nfs/dbraw/zinc/61/79/38/1100617938.db2.gz PVFNYOYIUUAVTF-BBWFWOEESA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636432 1100617943 /nfs/dbraw/zinc/61/79/43/1100617943.db2.gz PVFNYOYIUUAVTF-BBWFWOEESA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636432 1100617949 /nfs/dbraw/zinc/61/79/49/1100617949.db2.gz PVFNYOYIUUAVTF-BBWFWOEESA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642335 1100620761 /nfs/dbraw/zinc/62/07/61/1100620761.db2.gz JCDXBJRLTJLZSZ-JKSUJKDBSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642335 1100620765 /nfs/dbraw/zinc/62/07/65/1100620765.db2.gz JCDXBJRLTJLZSZ-JKSUJKDBSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671881 1100652751 /nfs/dbraw/zinc/65/27/51/1100652751.db2.gz UOVDKAZDJILNRO-BBWFWOEESA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671881 1100652755 /nfs/dbraw/zinc/65/27/55/1100652755.db2.gz UOVDKAZDJILNRO-BBWFWOEESA-N 2 2 339.911 2.582 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441786 1100670951 /nfs/dbraw/zinc/67/09/51/1100670951.db2.gz FVPOKSAHBCLGOR-SJORKVTESA-N 2 2 332.492 2.940 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840031 1100853423 /nfs/dbraw/zinc/85/34/23/1100853423.db2.gz DPUZEQMCEFHMQX-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840031 1100853430 /nfs/dbraw/zinc/85/34/30/1100853430.db2.gz DPUZEQMCEFHMQX-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840031 1100853435 /nfs/dbraw/zinc/85/34/35/1100853435.db2.gz DPUZEQMCEFHMQX-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840031 1100853440 /nfs/dbraw/zinc/85/34/40/1100853440.db2.gz DPUZEQMCEFHMQX-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP CC(C)C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001168039481 1101086274 /nfs/dbraw/zinc/08/62/74/1101086274.db2.gz FOXNNVKKLCXRNP-BXWFABGCSA-N 2 2 347.503 2.938 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001168041975 1101131333 /nfs/dbraw/zinc/13/13/33/1101131333.db2.gz XEIOHRFNHTVLJT-KWWJQKEASA-N 2 2 347.503 2.938 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001168041975 1101131337 /nfs/dbraw/zinc/13/13/37/1101131337.db2.gz XEIOHRFNHTVLJT-KWWJQKEASA-N 2 2 347.503 2.938 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422175 1101571577 /nfs/dbraw/zinc/57/15/77/1101571577.db2.gz JGUWRHANYQVBAS-HOTGVXAUSA-N 2 2 332.492 2.819 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422175 1101571588 /nfs/dbraw/zinc/57/15/88/1101571588.db2.gz JGUWRHANYQVBAS-HOTGVXAUSA-N 2 2 332.492 2.819 20 30 EFEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327504 1101778035 /nfs/dbraw/zinc/77/80/35/1101778035.db2.gz QSDWXGVDHRQQJE-GUDVDZBRSA-N 2 2 344.503 2.568 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001167455865 1101966736 /nfs/dbraw/zinc/96/67/36/1101966736.db2.gz GQBYQSHSMUUFPT-UHFFFAOYSA-N 2 2 340.471 2.637 20 30 EFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352303 1102030101 /nfs/dbraw/zinc/03/01/01/1102030101.db2.gz OCOBPJMJZCVXDU-HUUCEWRRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001088314879 1102864189 /nfs/dbraw/zinc/86/41/89/1102864189.db2.gz JBEVPPBOQHISDJ-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001088431719 1103591135 /nfs/dbraw/zinc/59/11/35/1103591135.db2.gz DZLSJWPCMFZOBW-MOPGFXCFSA-N 2 2 344.503 2.621 20 30 EFEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105552223 1105925787 /nfs/dbraw/zinc/92/57/87/1105925787.db2.gz ZSTHIDZAPNEUHG-SFHVURJKSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105577615 1105967051 /nfs/dbraw/zinc/96/70/51/1105967051.db2.gz XWVNDYGVIYUNNF-SFHVURJKSA-N 2 2 344.503 2.978 20 30 EFEDLP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105585294 1105971353 /nfs/dbraw/zinc/97/13/53/1105971353.db2.gz NPGFCZKCHUJNRE-GOSISDBHSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922668 1107018473 /nfs/dbraw/zinc/01/84/73/1107018473.db2.gz XLNMVWNAJDQZRI-PBHICJAKSA-N 2 2 335.879 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922668 1107018485 /nfs/dbraw/zinc/01/84/85/1107018485.db2.gz XLNMVWNAJDQZRI-PBHICJAKSA-N 2 2 335.879 2.693 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106131037 1108409313 /nfs/dbraw/zinc/40/93/13/1108409313.db2.gz KFCRJBLHDHJCMS-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106131225 1108417013 /nfs/dbraw/zinc/41/70/13/1108417013.db2.gz REFIVRUKXOGEDA-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106131228 1108417392 /nfs/dbraw/zinc/41/73/92/1108417392.db2.gz RFQFCKGRHUEPPM-MLGOLLRUSA-N 2 2 346.862 2.693 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990642526 1108534946 /nfs/dbraw/zinc/53/49/46/1108534946.db2.gz ZXHYMLKFJGVPRY-SOLBZPMBSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990642526 1108534956 /nfs/dbraw/zinc/53/49/56/1108534956.db2.gz ZXHYMLKFJGVPRY-SOLBZPMBSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990642526 1108534964 /nfs/dbraw/zinc/53/49/64/1108534964.db2.gz ZXHYMLKFJGVPRY-SOLBZPMBSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990642526 1108534973 /nfs/dbraw/zinc/53/49/73/1108534973.db2.gz ZXHYMLKFJGVPRY-SOLBZPMBSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990707590 1108822455 /nfs/dbraw/zinc/82/24/55/1108822455.db2.gz CRQZDHDLNHVDJZ-FXAWDEMLSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990707590 1108822458 /nfs/dbraw/zinc/82/24/58/1108822458.db2.gz CRQZDHDLNHVDJZ-FXAWDEMLSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060733 1111377221 /nfs/dbraw/zinc/37/72/21/1111377221.db2.gz IWBUJOKPZILSPR-DOTOQJQBSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060733 1111377224 /nfs/dbraw/zinc/37/72/24/1111377224.db2.gz IWBUJOKPZILSPR-DOTOQJQBSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060733 1111377228 /nfs/dbraw/zinc/37/72/28/1111377228.db2.gz IWBUJOKPZILSPR-DOTOQJQBSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060733 1111377230 /nfs/dbraw/zinc/37/72/30/1111377230.db2.gz IWBUJOKPZILSPR-DOTOQJQBSA-N 2 2 347.528 2.651 20 30 EFEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455157 1111548125 /nfs/dbraw/zinc/54/81/25/1111548125.db2.gz CUKRAQGALLSGMW-CRAIPNDOSA-N 2 2 345.487 2.507 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498549 1111587206 /nfs/dbraw/zinc/58/72/06/1111587206.db2.gz CDMVHWYWKYJOGF-QZTJIDSGSA-N 2 2 334.508 2.928 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420737 1112100714 /nfs/dbraw/zinc/10/07/14/1112100714.db2.gz ODLYBPRFAXJEIX-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420737 1112100715 /nfs/dbraw/zinc/10/07/15/1112100715.db2.gz ODLYBPRFAXJEIX-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089421338 1112101782 /nfs/dbraw/zinc/10/17/82/1112101782.db2.gz SUHIMSQGMMVLMI-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089421338 1112101784 /nfs/dbraw/zinc/10/17/84/1112101784.db2.gz SUHIMSQGMMVLMI-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441487 1112149005 /nfs/dbraw/zinc/14/90/05/1112149005.db2.gz HNIFDFTXPBQSFM-INIZCTEOSA-N 2 2 338.455 2.578 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441487 1112149007 /nfs/dbraw/zinc/14/90/07/1112149007.db2.gz HNIFDFTXPBQSFM-INIZCTEOSA-N 2 2 338.455 2.578 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(=C)C ZINC001089652690 1112513428 /nfs/dbraw/zinc/51/34/28/1112513428.db2.gz JQLWGGUDPILONQ-OALUTQOASA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(=C)C ZINC001089652690 1112513432 /nfs/dbraw/zinc/51/34/32/1112513432.db2.gz JQLWGGUDPILONQ-OALUTQOASA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(=C)C ZINC001089652690 1112513434 /nfs/dbraw/zinc/51/34/34/1112513434.db2.gz JQLWGGUDPILONQ-OALUTQOASA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(=C)C ZINC001089652690 1112513439 /nfs/dbraw/zinc/51/34/39/1112513439.db2.gz JQLWGGUDPILONQ-OALUTQOASA-N 2 2 345.531 2.657 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657444 1112579795 /nfs/dbraw/zinc/57/97/95/1112579795.db2.gz DBBFSDUGTGYKIP-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657444 1112579799 /nfs/dbraw/zinc/57/97/99/1112579799.db2.gz DBBFSDUGTGYKIP-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659041 1112588885 /nfs/dbraw/zinc/58/88/85/1112588885.db2.gz RFXJQQKZBOVASP-JKSUJKDBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659041 1112588889 /nfs/dbraw/zinc/58/88/89/1112588889.db2.gz RFXJQQKZBOVASP-JKSUJKDBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659041 1112588893 /nfs/dbraw/zinc/58/88/93/1112588893.db2.gz RFXJQQKZBOVASP-JKSUJKDBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659041 1112588897 /nfs/dbraw/zinc/58/88/97/1112588897.db2.gz RFXJQQKZBOVASP-JKSUJKDBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660263 1112593736 /nfs/dbraw/zinc/59/37/36/1112593736.db2.gz GAQUXUJMQBCBFK-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660263 1112593739 /nfs/dbraw/zinc/59/37/39/1112593739.db2.gz GAQUXUJMQBCBFK-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661112 1112610429 /nfs/dbraw/zinc/61/04/29/1112610429.db2.gz SMHMMCJOTYPWMI-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661112 1112610430 /nfs/dbraw/zinc/61/04/30/1112610430.db2.gz SMHMMCJOTYPWMI-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001484980005 1117920687 /nfs/dbraw/zinc/92/06/87/1117920687.db2.gz FNEPGNBHTNJBRI-HOCLYGCPSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001484980005 1117920693 /nfs/dbraw/zinc/92/06/93/1117920693.db2.gz FNEPGNBHTNJBRI-HOCLYGCPSA-N 2 2 338.883 2.693 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272699158 1118229674 /nfs/dbraw/zinc/22/96/74/1118229674.db2.gz BNFFAEJAKSVGOK-IBGZPJMESA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272699158 1118229676 /nfs/dbraw/zinc/22/96/76/1118229676.db2.gz BNFFAEJAKSVGOK-IBGZPJMESA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582336 1118991508 /nfs/dbraw/zinc/99/15/08/1118991508.db2.gz XVOZDGMIWFTXLF-IUODEOHRSA-N 2 2 339.867 2.534 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582336 1118991511 /nfs/dbraw/zinc/99/15/11/1118991511.db2.gz XVOZDGMIWFTXLF-IUODEOHRSA-N 2 2 339.867 2.534 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473974 1119052348 /nfs/dbraw/zinc/05/23/48/1119052348.db2.gz NXYPNSDGHMUUJS-QGZVFWFLSA-N 2 2 332.492 2.816 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473974 1119052351 /nfs/dbraw/zinc/05/23/51/1119052351.db2.gz NXYPNSDGHMUUJS-QGZVFWFLSA-N 2 2 332.492 2.816 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551216 530064921 /nfs/dbraw/zinc/06/49/21/530064921.db2.gz XNFGXWJNYCPUMA-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551216 530064922 /nfs/dbraw/zinc/06/49/22/530064922.db2.gz XNFGXWJNYCPUMA-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551216 530064923 /nfs/dbraw/zinc/06/49/23/530064923.db2.gz XNFGXWJNYCPUMA-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551216 530064924 /nfs/dbraw/zinc/06/49/24/530064924.db2.gz XNFGXWJNYCPUMA-IRXDYDNUSA-N 2 2 337.427 2.524 20 30 EFEDLP COc1ncccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181469111 234196848 /nfs/dbraw/zinc/19/68/48/234196848.db2.gz FDEDLBDCZAFDLF-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000181480872 234200397 /nfs/dbraw/zinc/20/03/97/234200397.db2.gz LZTIHWSHTRXVNC-IBGZPJMESA-N 3 2 338.499 2.597 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000181480872 234200400 /nfs/dbraw/zinc/20/04/00/234200400.db2.gz LZTIHWSHTRXVNC-IBGZPJMESA-N 3 2 338.499 2.597 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3CCO)CC2)cc1 ZINC000188017502 236386418 /nfs/dbraw/zinc/38/64/18/236386418.db2.gz HLDFOTAVNKCKIC-QUCCMNQESA-N 2 2 327.472 2.663 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3CCO)CC2)cc1 ZINC000188017549 236386661 /nfs/dbraw/zinc/38/66/61/236386661.db2.gz HLDFOTAVNKCKIC-ICSRJNTNSA-N 2 2 327.472 2.663 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)cc1 ZINC000130371751 223147600 /nfs/dbraw/zinc/14/76/00/223147600.db2.gz DHQDXNALQWLSDV-QFIPXVFZSA-N 2 2 349.478 2.716 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053949 240298995 /nfs/dbraw/zinc/29/89/95/240298995.db2.gz YHACJTDXQRBSHE-VAMGGRTRSA-N 2 2 327.472 2.949 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053949 240299001 /nfs/dbraw/zinc/29/90/01/240299001.db2.gz YHACJTDXQRBSHE-VAMGGRTRSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245764142 240262520 /nfs/dbraw/zinc/26/25/20/240262520.db2.gz QJSPVWLQIFHHKS-MJGOQNOKSA-N 2 2 343.471 2.522 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245764142 240262526 /nfs/dbraw/zinc/26/25/26/240262526.db2.gz QJSPVWLQIFHHKS-MJGOQNOKSA-N 2 2 343.471 2.522 20 30 EFEDLP C[NH+]=C(NCc1ccc(C)s1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261945117 240331676 /nfs/dbraw/zinc/33/16/76/240331676.db2.gz FQPFTWHPVKZQLV-BBRMVZONSA-N 2 2 331.489 2.912 20 30 EFEDLP CC[NH+]=C(NCc1ccsc1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261961060 240332920 /nfs/dbraw/zinc/33/29/20/240332920.db2.gz KFMPPFSOIPSMEQ-ZBFHGGJFSA-N 2 2 331.489 2.993 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281217520 240916266 /nfs/dbraw/zinc/91/62/66/240916266.db2.gz DPECVESAIQFEIE-SFHVURJKSA-N 2 2 342.487 2.739 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281217520 240916273 /nfs/dbraw/zinc/91/62/73/240916273.db2.gz DPECVESAIQFEIE-SFHVURJKSA-N 2 2 342.487 2.739 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329200628 241323510 /nfs/dbraw/zinc/32/35/10/241323510.db2.gz VKIRVRZCIHCILX-KCXAZCMYSA-N 2 2 344.463 2.793 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329200628 241323523 /nfs/dbraw/zinc/32/35/23/241323523.db2.gz VKIRVRZCIHCILX-KCXAZCMYSA-N 2 2 344.463 2.793 20 30 EFEDLP Cc1ccc2[nH+]c(CNC(=O)N3CCCC34CC[NH+](C)CC4)cn2c1 ZINC000329062165 241295586 /nfs/dbraw/zinc/29/55/86/241295586.db2.gz JYPUHZWNBBRQMO-UHFFFAOYSA-N 2 2 341.459 2.617 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372965410 242460039 /nfs/dbraw/zinc/46/00/39/242460039.db2.gz MIAWTUPQBMHODF-SFANZJOMSA-N 2 2 348.535 2.722 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372965410 242460043 /nfs/dbraw/zinc/46/00/43/242460043.db2.gz MIAWTUPQBMHODF-SFANZJOMSA-N 2 2 348.535 2.722 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169644 243204253 /nfs/dbraw/zinc/20/42/53/243204253.db2.gz PMUZYQWUEJTQFV-KBPBESRZSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169644 243204257 /nfs/dbraw/zinc/20/42/57/243204257.db2.gz PMUZYQWUEJTQFV-KBPBESRZSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246169644 243204262 /nfs/dbraw/zinc/20/42/62/243204262.db2.gz PMUZYQWUEJTQFV-KBPBESRZSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246169644 243204269 /nfs/dbraw/zinc/20/42/69/243204269.db2.gz PMUZYQWUEJTQFV-KBPBESRZSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)O1 ZINC000414267130 244068444 /nfs/dbraw/zinc/06/84/44/244068444.db2.gz SMIQHDSYZCOXOZ-JTDSTZFVSA-N 2 2 327.472 2.926 20 30 EFEDLP C=CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741541 244318739 /nfs/dbraw/zinc/31/87/39/244318739.db2.gz MORFSDSFRNYOOU-WBVHZDCISA-N 2 2 328.464 2.585 20 30 EFEDLP C=CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741541 244318742 /nfs/dbraw/zinc/31/87/42/244318742.db2.gz MORFSDSFRNYOOU-WBVHZDCISA-N 2 2 328.464 2.585 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462263 249825731 /nfs/dbraw/zinc/82/57/31/249825731.db2.gz ORTTYAQJRZJVNQ-NXHRZFHOSA-N 2 2 333.863 2.895 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462263 249825735 /nfs/dbraw/zinc/82/57/35/249825735.db2.gz ORTTYAQJRZJVNQ-NXHRZFHOSA-N 2 2 333.863 2.895 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000442711219 250105616 /nfs/dbraw/zinc/10/56/16/250105616.db2.gz DSTPFTVISGBQBS-OALUTQOASA-N 2 2 326.488 2.789 20 30 EFEDLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000443980696 250243825 /nfs/dbraw/zinc/24/38/25/250243825.db2.gz RUFIKDGRWXRPBH-UHFFFAOYSA-N 3 2 349.482 2.564 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267425599 251046390 /nfs/dbraw/zinc/04/63/90/251046390.db2.gz LMKRPCXYPDKHPU-OAHLLOKOSA-N 2 2 334.383 2.711 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267425599 251046394 /nfs/dbraw/zinc/04/63/94/251046394.db2.gz LMKRPCXYPDKHPU-OAHLLOKOSA-N 2 2 334.383 2.711 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cc1 ZINC000449685118 251115846 /nfs/dbraw/zinc/11/58/46/251115846.db2.gz RKDCVNQFFKPIPC-IBGZPJMESA-N 2 2 327.472 2.929 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453300667 252030280 /nfs/dbraw/zinc/03/02/80/252030280.db2.gz ZCDVUMBCYQIOOR-QUCCMNQESA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453300667 252030282 /nfs/dbraw/zinc/03/02/82/252030282.db2.gz ZCDVUMBCYQIOOR-QUCCMNQESA-N 2 2 327.472 2.762 20 30 EFEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268874978 252322195 /nfs/dbraw/zinc/32/21/95/252322195.db2.gz GSRKVBAQXBWAAG-WBVHZDCISA-N 2 2 337.895 2.714 20 30 EFEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268874978 252322200 /nfs/dbraw/zinc/32/22/00/252322200.db2.gz GSRKVBAQXBWAAG-WBVHZDCISA-N 2 2 337.895 2.714 20 30 EFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143983 145378138 /nfs/dbraw/zinc/37/81/38/145378138.db2.gz SKLOJIIALNHMMT-DYESRHJHSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143983 145378140 /nfs/dbraw/zinc/37/81/40/145378140.db2.gz SKLOJIIALNHMMT-DYESRHJHSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143985 145378165 /nfs/dbraw/zinc/37/81/65/145378165.db2.gz SKLOJIIALNHMMT-UTKZUKDTSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143985 145378166 /nfs/dbraw/zinc/37/81/66/145378166.db2.gz SKLOJIIALNHMMT-UTKZUKDTSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174381 145385057 /nfs/dbraw/zinc/38/50/57/145385057.db2.gz QRQNDBBBXHTOLE-OXJNMPFZSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174381 145385058 /nfs/dbraw/zinc/38/50/58/145385058.db2.gz QRQNDBBBXHTOLE-OXJNMPFZSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000356791081 147336435 /nfs/dbraw/zinc/33/64/35/147336435.db2.gz YILDJAIOCWPJQY-VQIMIIECSA-N 2 2 327.472 2.927 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289336 149116792 /nfs/dbraw/zinc/11/67/92/149116792.db2.gz JJAMIYGWJXFCCE-RTWAWAEBSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289336 149116794 /nfs/dbraw/zinc/11/67/94/149116794.db2.gz JJAMIYGWJXFCCE-RTWAWAEBSA-N 3 2 338.499 2.739 20 30 EFEDLP Cn1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1C#N ZINC000373490438 151178484 /nfs/dbraw/zinc/17/84/84/151178484.db2.gz QEHUZFCPUAWNIU-UHFFFAOYSA-N 2 2 340.393 2.792 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248191 151307905 /nfs/dbraw/zinc/30/79/05/151307905.db2.gz AKSUWCIBYMGSJS-LAUBAEHRSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248191 151307906 /nfs/dbraw/zinc/30/79/06/151307906.db2.gz AKSUWCIBYMGSJS-LAUBAEHRSA-N 2 2 334.467 2.996 20 30 EFEDLP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000374609295 151379946 /nfs/dbraw/zinc/37/99/46/151379946.db2.gz YSCWHJVSNYLYDZ-UHFFFAOYSA-N 2 2 332.473 2.509 20 30 EFEDLP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2 ZINC000374609295 151379949 /nfs/dbraw/zinc/37/99/49/151379949.db2.gz YSCWHJVSNYLYDZ-UHFFFAOYSA-N 2 2 332.473 2.509 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000123050677 222206675 /nfs/dbraw/zinc/20/66/75/222206675.db2.gz FSKSRLHRHUFTOQ-HOTGVXAUSA-N 2 2 332.517 2.610 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000299687244 270025670 /nfs/dbraw/zinc/02/56/70/270025670.db2.gz SVAUMRSJKHWMHJ-UHFFFAOYSA-N 2 2 332.411 2.542 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000299687244 270025671 /nfs/dbraw/zinc/02/56/71/270025671.db2.gz SVAUMRSJKHWMHJ-UHFFFAOYSA-N 2 2 332.411 2.542 20 30 EFEDLP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271844113 266077189 /nfs/dbraw/zinc/07/71/89/266077189.db2.gz HJEIEAKUIGDOLG-QFBILLFUSA-N 2 2 327.472 2.927 20 30 EFEDLP CC(C)(C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271849902 266078420 /nfs/dbraw/zinc/07/84/20/266078420.db2.gz IJYRYOZNWHYNAD-LJQANCHMSA-N 2 2 329.488 2.909 20 30 EFEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000271860984 266081594 /nfs/dbraw/zinc/08/15/94/266081594.db2.gz KHXXKGNOMYDELQ-UHFFFAOYSA-N 2 2 327.472 2.929 20 30 EFEDLP CC(C)[C@@H](O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271859718 266081718 /nfs/dbraw/zinc/08/17/18/266081718.db2.gz JYOOIZULWPKGNE-HXUWFJFHSA-N 2 2 341.499 2.909 20 30 EFEDLP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000293039104 267213954 /nfs/dbraw/zinc/21/39/54/267213954.db2.gz QOMIFEWLFPVLGB-OXJNMPFZSA-N 2 2 327.472 2.663 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311374 267226740 /nfs/dbraw/zinc/22/67/40/267226740.db2.gz OXYGUPKPGDJVOL-LIRRHRJNSA-N 2 2 335.455 2.531 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311374 267226743 /nfs/dbraw/zinc/22/67/43/267226743.db2.gz OXYGUPKPGDJVOL-LIRRHRJNSA-N 2 2 335.455 2.531 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827206 267228256 /nfs/dbraw/zinc/22/82/56/267228256.db2.gz DCUAKUHYZUWCAH-KKSFZXQISA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827206 267228257 /nfs/dbraw/zinc/22/82/57/267228257.db2.gz DCUAKUHYZUWCAH-KKSFZXQISA-N 2 2 338.499 2.595 20 30 EFEDLP CCn1ccnc1C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000522061117 267257777 /nfs/dbraw/zinc/25/77/77/267257777.db2.gz VTHBQFNDAZLRGU-LJQANCHMSA-N 2 2 349.482 2.919 20 30 EFEDLP CCn1ccnc1C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000522061117 267257779 /nfs/dbraw/zinc/25/77/79/267257779.db2.gz VTHBQFNDAZLRGU-LJQANCHMSA-N 2 2 349.482 2.919 20 30 EFEDLP Cc1c(C#N)c(NCC[NH+]2CCC([NH+](C)C)CC2)nc2ccccc12 ZINC000297378711 267274901 /nfs/dbraw/zinc/27/49/01/267274901.db2.gz DFYCIJIQMSWCRA-UHFFFAOYSA-N 2 2 337.471 2.853 20 30 EFEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573107 268110534 /nfs/dbraw/zinc/11/05/34/268110534.db2.gz VLHVKEPELFJUJN-SJLPKXTDSA-N 2 2 349.438 2.656 20 30 EFEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573107 268110536 /nfs/dbraw/zinc/11/05/36/268110536.db2.gz VLHVKEPELFJUJN-SJLPKXTDSA-N 2 2 349.438 2.656 20 30 EFEDLP N#Cc1ccc(OC2CC[NH+](CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000285504888 268166940 /nfs/dbraw/zinc/16/69/40/268166940.db2.gz NLJAKBAHIKSCPQ-UHFFFAOYSA-N 2 2 328.391 2.827 20 30 EFEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000292394926 268182732 /nfs/dbraw/zinc/18/27/32/268182732.db2.gz ZZRBREKGZHKERI-LJQANCHMSA-N 2 2 345.406 2.792 20 30 EFEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000292394926 268182735 /nfs/dbraw/zinc/18/27/35/268182735.db2.gz ZZRBREKGZHKERI-LJQANCHMSA-N 2 2 345.406 2.792 20 30 EFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H](c2ccccc2)C1 ZINC000262470906 275408683 /nfs/dbraw/zinc/40/86/83/275408683.db2.gz OTAKWOLLPZVHEL-KRWDZBQOSA-N 2 2 337.471 2.784 20 30 EFEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329223780 297355794 /nfs/dbraw/zinc/35/57/94/297355794.db2.gz YOCFSJIXRRUKPU-HLLBOEOZSA-N 2 2 349.523 2.736 20 30 EFEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329223780 297355796 /nfs/dbraw/zinc/35/57/96/297355796.db2.gz YOCFSJIXRRUKPU-HLLBOEOZSA-N 2 2 349.523 2.736 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331243942 301183469 /nfs/dbraw/zinc/18/34/69/301183469.db2.gz SISZHOACBRCUPH-MRXNPFEDSA-N 2 2 334.464 2.690 20 30 EFEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000576764986 320046834 /nfs/dbraw/zinc/04/68/34/320046834.db2.gz DIMBRYKVLBLURD-CYBMUJFWSA-N 2 2 328.441 2.734 20 30 EFEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000576764986 320046837 /nfs/dbraw/zinc/04/68/37/320046837.db2.gz DIMBRYKVLBLURD-CYBMUJFWSA-N 2 2 328.441 2.734 20 30 EFEDLP COCC[NH+]1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000090180590 472607358 /nfs/dbraw/zinc/60/73/58/472607358.db2.gz OJKNDLWALVPVFZ-UHFFFAOYSA-N 2 2 340.389 2.757 20 30 EFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000083029875 473315013 /nfs/dbraw/zinc/31/50/13/473315013.db2.gz BPTLTBXHZOZTIH-HUUCEWRRSA-N 2 2 344.484 2.779 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000083170668 473326019 /nfs/dbraw/zinc/32/60/19/473326019.db2.gz HNHJMKPQFWLNSO-IBGZPJMESA-N 2 2 343.471 2.825 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000083170668 473326024 /nfs/dbraw/zinc/32/60/24/473326024.db2.gz HNHJMKPQFWLNSO-IBGZPJMESA-N 2 2 343.471 2.825 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(CO)cc3)CC2)c1 ZINC000602706369 479490360 /nfs/dbraw/zinc/49/03/60/479490360.db2.gz OWHHQFXQAGNTEZ-UHFFFAOYSA-N 2 2 335.451 2.805 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000631192735 479951566 /nfs/dbraw/zinc/95/15/66/479951566.db2.gz ACQPQSQWBCECMA-IEBWSBKVSA-N 2 2 339.487 2.712 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000631192735 479951571 /nfs/dbraw/zinc/95/15/71/479951571.db2.gz ACQPQSQWBCECMA-IEBWSBKVSA-N 2 2 339.487 2.712 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860860 472208707 /nfs/dbraw/zinc/20/87/07/472208707.db2.gz SVOZMWKCXOHAIP-IRXDYDNUSA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860860 472208714 /nfs/dbraw/zinc/20/87/14/472208714.db2.gz SVOZMWKCXOHAIP-IRXDYDNUSA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860860 472208718 /nfs/dbraw/zinc/20/87/18/472208718.db2.gz SVOZMWKCXOHAIP-IRXDYDNUSA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860860 472208725 /nfs/dbraw/zinc/20/87/25/472208725.db2.gz SVOZMWKCXOHAIP-IRXDYDNUSA-N 2 2 334.508 2.524 20 30 EFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000616768906 479973763 /nfs/dbraw/zinc/97/37/63/479973763.db2.gz UTLLAKVHSLJRIT-FQEVSTJZSA-N 2 2 337.471 2.847 20 30 EFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000616768910 479974430 /nfs/dbraw/zinc/97/44/30/479974430.db2.gz UTLLAKVHSLJRIT-HXUWFJFHSA-N 2 2 337.471 2.847 20 30 EFEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nccnc3C#N)cc2)CC1 ZINC000076018389 472241568 /nfs/dbraw/zinc/24/15/68/472241568.db2.gz YLNWMINYRLRNRO-UHFFFAOYSA-N 2 2 336.443 2.870 20 30 EFEDLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000116396964 472399177 /nfs/dbraw/zinc/39/91/77/472399177.db2.gz FZEADYCLSHFGED-WMLDXEAASA-N 2 2 330.476 2.841 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000117875860 472483030 /nfs/dbraw/zinc/48/30/30/472483030.db2.gz GSEIIOMNVUPCBV-LJQANCHMSA-N 2 2 328.504 2.882 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000117875860 472483034 /nfs/dbraw/zinc/48/30/34/472483034.db2.gz GSEIIOMNVUPCBV-LJQANCHMSA-N 2 2 328.504 2.882 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000070036957 472488339 /nfs/dbraw/zinc/48/83/39/472488339.db2.gz XLQYKAVTBNPIGZ-HDICACEKSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000070036957 472488345 /nfs/dbraw/zinc/48/83/45/472488345.db2.gz XLQYKAVTBNPIGZ-HDICACEKSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000070036959 472488495 /nfs/dbraw/zinc/48/84/95/472488495.db2.gz XLQYKAVTBNPIGZ-QZTJIDSGSA-N 2 2 326.488 2.549 20 30 EFEDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135232799 473041008 /nfs/dbraw/zinc/04/10/08/473041008.db2.gz VUJXORBVMBEOQK-UHFFFAOYSA-N 2 2 329.488 2.766 20 30 EFEDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135232799 473041015 /nfs/dbraw/zinc/04/10/15/473041015.db2.gz VUJXORBVMBEOQK-UHFFFAOYSA-N 2 2 329.488 2.766 20 30 EFEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000135252769 473042596 /nfs/dbraw/zinc/04/25/96/473042596.db2.gz JTZSKKHDMAWZTC-QGZVFWFLSA-N 2 2 327.472 2.642 20 30 EFEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000135252769 473042601 /nfs/dbraw/zinc/04/26/01/473042601.db2.gz JTZSKKHDMAWZTC-QGZVFWFLSA-N 2 2 327.472 2.642 20 30 EFEDLP C=CCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1OC ZINC000093395060 473101562 /nfs/dbraw/zinc/10/15/62/473101562.db2.gz JJVACSGKBNFIIW-UHFFFAOYSA-N 2 2 348.487 2.539 20 30 EFEDLP C=CCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1OC ZINC000093395060 473101570 /nfs/dbraw/zinc/10/15/70/473101570.db2.gz JJVACSGKBNFIIW-UHFFFAOYSA-N 2 2 348.487 2.539 20 30 EFEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961121 473114143 /nfs/dbraw/zinc/11/41/43/473114143.db2.gz IKEOXSHKWHGLQI-MRXNPFEDSA-N 2 2 337.427 2.536 20 30 EFEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961121 473114149 /nfs/dbraw/zinc/11/41/49/473114149.db2.gz IKEOXSHKWHGLQI-MRXNPFEDSA-N 2 2 337.427 2.536 20 30 EFEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000109787163 473122587 /nfs/dbraw/zinc/12/25/87/473122587.db2.gz DNRGTRHVSHKICE-UHFFFAOYSA-N 2 2 342.487 2.739 20 30 EFEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000109787163 473122591 /nfs/dbraw/zinc/12/25/91/473122591.db2.gz DNRGTRHVSHKICE-UHFFFAOYSA-N 2 2 342.487 2.739 20 30 EFEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000160918662 473190529 /nfs/dbraw/zinc/19/05/29/473190529.db2.gz ZBDCILKEXFHQAK-UHFFFAOYSA-N 2 2 331.435 2.774 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114479565 473472886 /nfs/dbraw/zinc/47/28/86/473472886.db2.gz JUHKTJARQKAHPX-QZTJIDSGSA-N 2 2 342.487 2.514 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114479565 473472892 /nfs/dbraw/zinc/47/28/92/473472892.db2.gz JUHKTJARQKAHPX-QZTJIDSGSA-N 2 2 342.487 2.514 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000185770647 473509244 /nfs/dbraw/zinc/50/92/44/473509244.db2.gz YGLNFIVZRAKDSL-MOPGFXCFSA-N 2 2 326.488 2.871 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCO)c3ccco3)CC2)cc1 ZINC000186529701 473686563 /nfs/dbraw/zinc/68/65/63/473686563.db2.gz JZWDUJJRCVXMFK-LJQANCHMSA-N 2 2 339.439 2.829 20 30 EFEDLP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000263228160 473745163 /nfs/dbraw/zinc/74/51/63/473745163.db2.gz HGEWZJGUMTWTBF-HZPDHXFCSA-N 2 2 332.492 2.918 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000269323020 473773777 /nfs/dbraw/zinc/77/37/77/473773777.db2.gz JSANSOVACBEWRL-UHFFFAOYSA-N 2 2 330.451 2.692 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286098 473845592 /nfs/dbraw/zinc/84/55/92/473845592.db2.gz HAADMFQAQLVYPZ-KSSFIOAISA-N 2 2 335.455 2.674 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286098 473845599 /nfs/dbraw/zinc/84/55/99/473845599.db2.gz HAADMFQAQLVYPZ-KSSFIOAISA-N 2 2 335.455 2.674 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000269631873 473848052 /nfs/dbraw/zinc/84/80/52/473848052.db2.gz HWZRQSIEYWAAAB-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000269631873 473848057 /nfs/dbraw/zinc/84/80/57/473848057.db2.gz HWZRQSIEYWAAAB-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)CC2)cc1 ZINC000187297770 473853933 /nfs/dbraw/zinc/85/39/33/473853933.db2.gz AMGFOPHPMRJFJE-AQNXPRMDSA-N 2 2 325.456 2.680 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173599276 473887826 /nfs/dbraw/zinc/88/78/26/473887826.db2.gz RCAPGLQXVJVQHV-ZWKOTPCHSA-N 2 2 346.519 2.525 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173599276 473887833 /nfs/dbraw/zinc/88/78/33/473887833.db2.gz RCAPGLQXVJVQHV-ZWKOTPCHSA-N 2 2 346.519 2.525 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)cc1OC ZINC000264164733 473953888 /nfs/dbraw/zinc/95/38/88/473953888.db2.gz BXQDTVGZMZDDNZ-UHFFFAOYSA-N 2 2 343.431 2.718 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000264146157 473954496 /nfs/dbraw/zinc/95/44/96/473954496.db2.gz YAQFDTBGFQSFSZ-GOSISDBHSA-N 2 2 342.443 2.733 20 30 EFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000289377457 474245949 /nfs/dbraw/zinc/24/59/49/474245949.db2.gz KUQNIGAHJTWWED-IBGZPJMESA-N 2 2 337.423 2.839 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189168681 474313878 /nfs/dbraw/zinc/31/38/78/474313878.db2.gz RYFYPUYTJHEXNS-UHFFFAOYSA-N 2 2 328.435 2.811 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000265884876 474372948 /nfs/dbraw/zinc/37/29/48/474372948.db2.gz PMBNFDKVUARHFR-LEWJYISDSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000265884876 474372955 /nfs/dbraw/zinc/37/29/55/474372955.db2.gz PMBNFDKVUARHFR-LEWJYISDSA-N 2 2 335.451 2.531 20 30 EFEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266980079 474554594 /nfs/dbraw/zinc/55/45/94/474554594.db2.gz MGSDTLXESYDTLG-SFHVURJKSA-N 2 2 340.427 2.536 20 30 EFEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266980079 474554598 /nfs/dbraw/zinc/55/45/98/474554598.db2.gz MGSDTLXESYDTLG-SFHVURJKSA-N 2 2 340.427 2.536 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000249454204 474574341 /nfs/dbraw/zinc/57/43/41/474574341.db2.gz PDNCUZLYPZZWHN-HNAYVOBHSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000249454204 474574345 /nfs/dbraw/zinc/57/43/45/474574345.db2.gz PDNCUZLYPZZWHN-HNAYVOBHSA-N 2 2 333.451 2.924 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277059460 474577293 /nfs/dbraw/zinc/57/72/93/474577293.db2.gz DCPSIABEUVDNCE-MSOLQXFVSA-N 2 2 342.487 2.738 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277059460 474577299 /nfs/dbraw/zinc/57/72/99/474577299.db2.gz DCPSIABEUVDNCE-MSOLQXFVSA-N 2 2 342.487 2.738 20 30 EFEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277643714 474592980 /nfs/dbraw/zinc/59/29/80/474592980.db2.gz CHUPZWWZIHTAPQ-UHFFFAOYSA-N 2 2 329.835 2.539 20 30 EFEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000271800710 474594646 /nfs/dbraw/zinc/59/46/46/474594646.db2.gz LHHRVQVXHSJCPR-UHFFFAOYSA-N 2 2 346.471 2.759 20 30 EFEDLP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000291183504 474597259 /nfs/dbraw/zinc/59/72/59/474597259.db2.gz KUPYLAXQWKSBPB-FQEVSTJZSA-N 2 2 327.472 2.927 20 30 EFEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675302 474621641 /nfs/dbraw/zinc/62/16/41/474621641.db2.gz UNVIQLMNSOBWJH-XLIONFOSSA-N 2 2 349.482 2.990 20 30 EFEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675302 474621647 /nfs/dbraw/zinc/62/16/47/474621647.db2.gz UNVIQLMNSOBWJH-XLIONFOSSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675302 474621651 /nfs/dbraw/zinc/62/16/51/474621651.db2.gz UNVIQLMNSOBWJH-XLIONFOSSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 ZINC000272675302 474621655 /nfs/dbraw/zinc/62/16/55/474621655.db2.gz UNVIQLMNSOBWJH-XLIONFOSSA-N 2 2 349.482 2.990 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267237020 474625662 /nfs/dbraw/zinc/62/56/62/474625662.db2.gz LYSLPDDDCMPUHE-GHTZIAJQSA-N 2 2 343.515 2.688 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278585814 474720372 /nfs/dbraw/zinc/72/03/72/474720372.db2.gz KPZHOZVILKGRLE-UHFFFAOYSA-N 2 2 331.460 2.658 20 30 EFEDLP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000293039102 474780008 /nfs/dbraw/zinc/78/00/08/474780008.db2.gz QOMIFEWLFPVLGB-JXFKEZNVSA-N 2 2 327.472 2.663 20 30 EFEDLP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305783182 474780086 /nfs/dbraw/zinc/78/00/86/474780086.db2.gz QBXYBQXZGANKPJ-JXFKEZNVSA-N 2 2 329.488 2.909 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3c4ccccc4C[C@H]3O)CC2)cc1 ZINC000305804632 474788021 /nfs/dbraw/zinc/78/80/21/474788021.db2.gz YSCHFEFMIZJBMG-YADHBBJMSA-N 2 2 347.462 2.771 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337274988 474850488 /nfs/dbraw/zinc/85/04/88/474850488.db2.gz QBCVYTZWTWOEOL-QPIRBTGLSA-N 2 2 348.535 2.723 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337274988 474850498 /nfs/dbraw/zinc/85/04/98/474850498.db2.gz QBCVYTZWTWOEOL-QPIRBTGLSA-N 2 2 348.535 2.723 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273617387 474993031 /nfs/dbraw/zinc/99/30/31/474993031.db2.gz XUZANJNGTAHKGJ-AWEZNQCLSA-N 2 2 332.444 2.870 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)CC1 ZINC000280395311 475023858 /nfs/dbraw/zinc/02/38/58/475023858.db2.gz ABFRLSRZUHBQLR-QGZVFWFLSA-N 2 2 345.491 2.790 20 30 EFEDLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC[C@@H]1CCCO1 ZINC000328659755 475052114 /nfs/dbraw/zinc/05/21/14/475052114.db2.gz UCPLZSBPYNKDJN-RDJZCZTQSA-N 2 2 346.475 2.534 20 30 EFEDLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC[C@@H]1CCCO1 ZINC000328659755 475052121 /nfs/dbraw/zinc/05/21/21/475052121.db2.gz UCPLZSBPYNKDJN-RDJZCZTQSA-N 2 2 346.475 2.534 20 30 EFEDLP C#CC[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000295103302 475104311 /nfs/dbraw/zinc/10/43/11/475104311.db2.gz WIPXOSYGJIUSED-KRWDZBQOSA-N 2 2 330.863 2.708 20 30 EFEDLP C#CC[N@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000295103302 475104317 /nfs/dbraw/zinc/10/43/17/475104317.db2.gz WIPXOSYGJIUSED-KRWDZBQOSA-N 2 2 330.863 2.708 20 30 EFEDLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000329738370 475123674 /nfs/dbraw/zinc/12/36/74/475123674.db2.gz MTAHZJCADOKQGO-SJORKVTESA-N 2 2 341.459 2.615 20 30 EFEDLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000329738370 475123680 /nfs/dbraw/zinc/12/36/80/475123680.db2.gz MTAHZJCADOKQGO-SJORKVTESA-N 2 2 341.459 2.615 20 30 EFEDLP CCC(=O)N[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329760360 475128367 /nfs/dbraw/zinc/12/83/67/475128367.db2.gz QBRFJGWBNMBTEX-MRXNPFEDSA-N 2 2 327.432 2.907 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCCCC#N ZINC000292686220 475149601 /nfs/dbraw/zinc/14/96/01/475149601.db2.gz BACGYZAMTOOOTG-FQEVSTJZSA-N 2 2 343.471 2.905 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCCCC#N ZINC000292686220 475149612 /nfs/dbraw/zinc/14/96/12/475149612.db2.gz BACGYZAMTOOOTG-FQEVSTJZSA-N 2 2 343.471 2.905 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCCCC#N ZINC000292686220 475149624 /nfs/dbraw/zinc/14/96/24/475149624.db2.gz BACGYZAMTOOOTG-FQEVSTJZSA-N 2 2 343.471 2.905 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCCCC#N ZINC000292686220 475149633 /nfs/dbraw/zinc/14/96/33/475149633.db2.gz BACGYZAMTOOOTG-FQEVSTJZSA-N 2 2 343.471 2.905 20 30 EFEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000330128351 475201625 /nfs/dbraw/zinc/20/16/25/475201625.db2.gz NNGWBBYYQZEGSY-UHFFFAOYSA-N 2 2 345.491 2.630 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331918390 475455470 /nfs/dbraw/zinc/45/54/70/475455470.db2.gz OACQYZHMEDSVJS-JKSUJKDBSA-N 2 2 333.436 2.515 20 30 EFEDLP Cc1cccn2c(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)c[nH+]c12 ZINC000361452619 475461012 /nfs/dbraw/zinc/46/10/12/475461012.db2.gz SWVLOXJNAZYQCD-UHFFFAOYSA-N 2 2 346.438 2.668 20 30 EFEDLP Cc1ccc(CCC[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c[nH+]1 ZINC000355138026 475692931 /nfs/dbraw/zinc/69/29/31/475692931.db2.gz RAYSNHAURHMGEZ-FQEVSTJZSA-N 2 2 348.450 2.585 20 30 EFEDLP Cc1ccc(CCC[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c[nH+]1 ZINC000355138028 475692959 /nfs/dbraw/zinc/69/29/59/475692959.db2.gz RAYSNHAURHMGEZ-HXUWFJFHSA-N 2 2 348.450 2.585 20 30 EFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000353260818 475811420 /nfs/dbraw/zinc/81/14/20/475811420.db2.gz TZJDJQIQVUNGCZ-FCHUYYIVSA-N 2 2 347.462 2.772 20 30 EFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000353260818 475811427 /nfs/dbraw/zinc/81/14/27/475811427.db2.gz TZJDJQIQVUNGCZ-FCHUYYIVSA-N 2 2 347.462 2.772 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744547 476057174 /nfs/dbraw/zinc/05/71/74/476057174.db2.gz MYNZKDJRXDPGGA-NQIIRXRSSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744547 476057180 /nfs/dbraw/zinc/05/71/80/476057180.db2.gz MYNZKDJRXDPGGA-NQIIRXRSSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355744547 476057184 /nfs/dbraw/zinc/05/71/84/476057184.db2.gz MYNZKDJRXDPGGA-NQIIRXRSSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355744547 476057190 /nfs/dbraw/zinc/05/71/90/476057190.db2.gz MYNZKDJRXDPGGA-NQIIRXRSSA-N 2 2 341.499 2.665 20 30 EFEDLP N#CCCn1cc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000353684853 476186528 /nfs/dbraw/zinc/18/65/28/476186528.db2.gz TXWPIUYYSASFRU-HKUYNNGSSA-N 2 2 335.455 2.648 20 30 EFEDLP N#CCCn1cc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000353684853 476186534 /nfs/dbraw/zinc/18/65/34/476186534.db2.gz TXWPIUYYSASFRU-HKUYNNGSSA-N 2 2 335.455 2.648 20 30 EFEDLP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344326614 476252692 /nfs/dbraw/zinc/25/26/92/476252692.db2.gz KOHMEZGJYZPXCY-UYAOXDASSA-N 2 2 327.472 2.927 20 30 EFEDLP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344326610 476252757 /nfs/dbraw/zinc/25/27/57/476252757.db2.gz KOHMEZGJYZPXCY-ICSRJNTNSA-N 2 2 327.472 2.927 20 30 EFEDLP CC[NH+]1CCN(c2ccccc2C[N@H+](C[C@@H](C)C#N)C2CC2)CC1 ZINC000354025355 476374299 /nfs/dbraw/zinc/37/42/99/476374299.db2.gz CGHHYLXDZZXMDP-KRWDZBQOSA-N 2 2 326.488 2.953 20 30 EFEDLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C[C@@H](C)C#N)C2CC2)CC1 ZINC000354025355 476374302 /nfs/dbraw/zinc/37/43/02/476374302.db2.gz CGHHYLXDZZXMDP-KRWDZBQOSA-N 2 2 326.488 2.953 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351500886 476473820 /nfs/dbraw/zinc/47/38/20/476473820.db2.gz XTCOSVRFKRQDOO-RRFJBIMHSA-N 2 2 331.485 2.572 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351500886 476473824 /nfs/dbraw/zinc/47/38/24/476473824.db2.gz XTCOSVRFKRQDOO-RRFJBIMHSA-N 2 2 331.485 2.572 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1OC ZINC000351504113 476475041 /nfs/dbraw/zinc/47/50/41/476475041.db2.gz UOEQSJSIPPKONW-UHFFFAOYSA-N 2 2 348.487 2.587 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000362946172 476494753 /nfs/dbraw/zinc/49/47/53/476494753.db2.gz WHWAHXMTEYTLDT-HNNXBMFYSA-N 2 2 333.395 2.848 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000374898893 476580439 /nfs/dbraw/zinc/58/04/39/476580439.db2.gz RNZUUHSYDLKRKM-FQEVSTJZSA-N 2 2 327.472 2.720 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000374898896 476581110 /nfs/dbraw/zinc/58/11/10/476581110.db2.gz RNZUUHSYDLKRKM-HXUWFJFHSA-N 2 2 327.472 2.720 20 30 EFEDLP C=C[C@@H](C(=O)OC)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000383674936 476751101 /nfs/dbraw/zinc/75/11/01/476751101.db2.gz MXXSDJQELDHNBJ-SFHVURJKSA-N 2 2 328.456 2.702 20 30 EFEDLP C=C[C@@H](C(=O)OC)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000383674936 476751113 /nfs/dbraw/zinc/75/11/13/476751113.db2.gz MXXSDJQELDHNBJ-SFHVURJKSA-N 2 2 328.456 2.702 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+]CC[NH2+]CC)cc1OC ZINC000414838814 476894090 /nfs/dbraw/zinc/89/40/90/476894090.db2.gz ZLVLPIAREHTJNS-UHFFFAOYSA-N 2 2 343.265 2.722 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423218985 476967458 /nfs/dbraw/zinc/96/74/58/476967458.db2.gz SWMJMEMSLXDMGV-QFBILLFUSA-N 3 2 326.488 2.500 20 30 EFEDLP C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156263 477156272 /nfs/dbraw/zinc/15/62/72/477156272.db2.gz QPXXYOZPJOZYOG-IEBWSBKVSA-N 2 2 341.499 2.631 20 30 EFEDLP C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156263 477156281 /nfs/dbraw/zinc/15/62/81/477156281.db2.gz QPXXYOZPJOZYOG-IEBWSBKVSA-N 2 2 341.499 2.631 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289369 477220263 /nfs/dbraw/zinc/22/02/63/477220263.db2.gz KHUZKHPVAMSYSX-QRVBRYPASA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289369 477220268 /nfs/dbraw/zinc/22/02/68/477220268.db2.gz KHUZKHPVAMSYSX-QRVBRYPASA-N 2 2 332.875 2.875 20 30 EFEDLP C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411419619 477228183 /nfs/dbraw/zinc/22/81/83/477228183.db2.gz TXOMTHLJZSPHGP-MOPGFXCFSA-N 2 2 332.536 2.808 20 30 EFEDLP C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411419619 477228187 /nfs/dbraw/zinc/22/81/87/477228187.db2.gz TXOMTHLJZSPHGP-MOPGFXCFSA-N 2 2 332.536 2.808 20 30 EFEDLP C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411419625 477230057 /nfs/dbraw/zinc/23/00/57/477230057.db2.gz TXOMTHLJZSPHGP-RBUKOAKNSA-N 2 2 332.536 2.808 20 30 EFEDLP C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411419625 477230060 /nfs/dbraw/zinc/23/00/60/477230060.db2.gz TXOMTHLJZSPHGP-RBUKOAKNSA-N 2 2 332.536 2.808 20 30 EFEDLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424130689 477300748 /nfs/dbraw/zinc/30/07/48/477300748.db2.gz HPINAFZEPJLWIC-PBHICJAKSA-N 2 2 348.878 2.566 20 30 EFEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000424134038 477302107 /nfs/dbraw/zinc/30/21/07/477302107.db2.gz KGIQJFYLOLTKQD-AWEZNQCLSA-N 2 2 325.416 2.722 20 30 EFEDLP N#Cc1ccc(N2CCC([NH2+]CCc3cn4c([nH+]3)CCCC4)CC2)cc1 ZINC000367611224 477599609 /nfs/dbraw/zinc/59/96/09/477599609.db2.gz AYPQEHQGBIZRNG-UHFFFAOYSA-N 2 2 349.482 2.892 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420367164 477724836 /nfs/dbraw/zinc/72/48/36/477724836.db2.gz MQUUENUWVXFYHU-PMUMKWKESA-N 2 2 333.501 2.879 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000439448953 477979359 /nfs/dbraw/zinc/97/93/59/477979359.db2.gz HJYZNUOFZNQZTD-KXBFYZLASA-N 2 2 346.906 2.669 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000439448953 477979364 /nfs/dbraw/zinc/97/93/64/477979364.db2.gz HJYZNUOFZNQZTD-KXBFYZLASA-N 2 2 346.906 2.669 20 30 EFEDLP C=C(C)COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000494442389 477987380 /nfs/dbraw/zinc/98/73/80/477987380.db2.gz DDHJKXQQJPPUSR-MRXNPFEDSA-N 2 2 327.428 2.951 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495751634 478302135 /nfs/dbraw/zinc/30/21/35/478302135.db2.gz AUKVLCDVSSTXDL-HUUCEWRRSA-N 2 2 325.497 2.918 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000525858723 478396970 /nfs/dbraw/zinc/39/69/70/478396970.db2.gz XUHZSODHSDVMFV-WAZRQNRBSA-N 2 2 340.471 2.858 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000525858723 478396974 /nfs/dbraw/zinc/39/69/74/478396974.db2.gz XUHZSODHSDVMFV-WAZRQNRBSA-N 2 2 340.471 2.858 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049282 478411085 /nfs/dbraw/zinc/41/10/85/478411085.db2.gz SVVLNIPRNRBKGQ-KZNAEPCWSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049282 478411089 /nfs/dbraw/zinc/41/10/89/478411089.db2.gz SVVLNIPRNRBKGQ-KZNAEPCWSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000527049282 478411095 /nfs/dbraw/zinc/41/10/95/478411095.db2.gz SVVLNIPRNRBKGQ-KZNAEPCWSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000527049282 478411098 /nfs/dbraw/zinc/41/10/98/478411098.db2.gz SVVLNIPRNRBKGQ-KZNAEPCWSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049280 478411432 /nfs/dbraw/zinc/41/14/32/478411432.db2.gz SVVLNIPRNRBKGQ-FGTMMUONSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049280 478411437 /nfs/dbraw/zinc/41/14/37/478411437.db2.gz SVVLNIPRNRBKGQ-FGTMMUONSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000527049280 478411445 /nfs/dbraw/zinc/41/14/45/478411445.db2.gz SVVLNIPRNRBKGQ-FGTMMUONSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000527049280 478411450 /nfs/dbraw/zinc/41/14/50/478411450.db2.gz SVVLNIPRNRBKGQ-FGTMMUONSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572061 478583080 /nfs/dbraw/zinc/58/30/80/478583080.db2.gz PHDQKURYAQNUCS-BARLLCKDSA-N 2 2 343.471 2.605 20 30 EFEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572076 478583282 /nfs/dbraw/zinc/58/32/82/478583282.db2.gz PHDQKURYAQNUCS-ZTRSQXPZSA-N 2 2 343.471 2.605 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000591582323 478587521 /nfs/dbraw/zinc/58/75/21/478587521.db2.gz HXPVBXSXOLJBCN-HXUWFJFHSA-N 3 2 338.499 2.787 20 30 EFEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000594957857 478604214 /nfs/dbraw/zinc/60/42/14/478604214.db2.gz VNYODEZLAVTNFN-GOSISDBHSA-N 2 2 326.488 2.989 20 30 EFEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000594957857 478604220 /nfs/dbraw/zinc/60/42/20/478604220.db2.gz VNYODEZLAVTNFN-GOSISDBHSA-N 2 2 326.488 2.989 20 30 EFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000594957858 478604234 /nfs/dbraw/zinc/60/42/34/478604234.db2.gz VNYODEZLAVTNFN-SFHVURJKSA-N 2 2 326.488 2.989 20 30 EFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000594957858 478604240 /nfs/dbraw/zinc/60/42/40/478604240.db2.gz VNYODEZLAVTNFN-SFHVURJKSA-N 2 2 326.488 2.989 20 30 EFEDLP Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000591819223 478640679 /nfs/dbraw/zinc/64/06/79/478640679.db2.gz VZXDFTVLMLNWMX-IYBDPMFKSA-N 2 2 328.460 2.587 20 30 EFEDLP Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000591819223 478640683 /nfs/dbraw/zinc/64/06/83/478640683.db2.gz VZXDFTVLMLNWMX-IYBDPMFKSA-N 2 2 328.460 2.587 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000491728127 478651793 /nfs/dbraw/zinc/65/17/93/478651793.db2.gz HFIPESGWPVFCTH-FQEVSTJZSA-N 3 2 325.500 2.728 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000491728127 478651796 /nfs/dbraw/zinc/65/17/96/478651796.db2.gz HFIPESGWPVFCTH-FQEVSTJZSA-N 3 2 325.500 2.728 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491728127 478651801 /nfs/dbraw/zinc/65/18/01/478651801.db2.gz HFIPESGWPVFCTH-FQEVSTJZSA-N 3 2 325.500 2.728 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491728127 478651803 /nfs/dbraw/zinc/65/18/03/478651803.db2.gz HFIPESGWPVFCTH-FQEVSTJZSA-N 3 2 325.500 2.728 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000491777834 478673946 /nfs/dbraw/zinc/67/39/46/478673946.db2.gz IDLRRLNFGSHNQQ-IBGZPJMESA-N 3 2 327.516 2.627 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000491777834 478673953 /nfs/dbraw/zinc/67/39/53/478673953.db2.gz IDLRRLNFGSHNQQ-IBGZPJMESA-N 3 2 327.516 2.627 20 30 EFEDLP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595288344 478714871 /nfs/dbraw/zinc/71/48/71/478714871.db2.gz ZAMURZBLGROTIJ-RTBURBONSA-N 2 2 340.515 2.654 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614190 478926607 /nfs/dbraw/zinc/92/66/07/478926607.db2.gz BIBOGZICTGPEBC-WBVHZDCISA-N 2 2 330.476 2.700 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614190 478926611 /nfs/dbraw/zinc/92/66/11/478926611.db2.gz BIBOGZICTGPEBC-WBVHZDCISA-N 2 2 330.476 2.700 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC#Cc3ccccc3)c2cc1C ZINC000566107841 479084659 /nfs/dbraw/zinc/08/46/59/479084659.db2.gz AXQGVJWEDUNVSX-LJQANCHMSA-N 2 2 333.435 2.655 20 30 EFEDLP C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1c[nH+]ccc1N ZINC000593321305 479294119 /nfs/dbraw/zinc/29/41/19/479294119.db2.gz HWSVZRNYOLKOSO-OAHLLOKOSA-N 2 2 335.455 2.681 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000593323323 479294986 /nfs/dbraw/zinc/29/49/86/479294986.db2.gz UFVXQVPTTXDQCT-SVFBPWRDSA-N 3 2 338.499 2.500 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000593323320 479295565 /nfs/dbraw/zinc/29/55/65/479295565.db2.gz UFVXQVPTTXDQCT-IRFCIJBXSA-N 3 2 338.499 2.500 20 30 EFEDLP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000593324706 479296778 /nfs/dbraw/zinc/29/67/78/479296778.db2.gz YSIKPKZGYVTGPF-PMACEKPBSA-N 2 2 326.488 2.772 20 30 EFEDLP Cc1cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C#N)c[nH+]1 ZINC000593517277 479373996 /nfs/dbraw/zinc/37/39/96/479373996.db2.gz LYSUALHBKRQBRJ-UHFFFAOYSA-N 2 2 331.423 2.632 20 30 EFEDLP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438654 479380547 /nfs/dbraw/zinc/38/05/47/479380547.db2.gz UMGGRZWSZDYVKY-VQIMIIECSA-N 2 2 327.472 2.927 20 30 EFEDLP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593688456 479423834 /nfs/dbraw/zinc/42/38/34/479423834.db2.gz SFIBLQVXRMKPKC-UHFFFAOYSA-N 2 2 337.471 2.663 20 30 EFEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593692354 479425757 /nfs/dbraw/zinc/42/57/57/479425757.db2.gz CXNHKORXASRJPR-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593702001 479429024 /nfs/dbraw/zinc/42/90/24/479429024.db2.gz JRKFSYKVZBFNSZ-UTKZUKDTSA-N 3 2 340.515 2.843 20 30 EFEDLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593702001 479429027 /nfs/dbraw/zinc/42/90/27/479429027.db2.gz JRKFSYKVZBFNSZ-UTKZUKDTSA-N 3 2 340.515 2.843 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703217 479429462 /nfs/dbraw/zinc/42/94/62/479429462.db2.gz QXEQWLXAHWQRBK-HRAATJIYSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703217 479429466 /nfs/dbraw/zinc/42/94/66/479429466.db2.gz QXEQWLXAHWQRBK-HRAATJIYSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703219 479429826 /nfs/dbraw/zinc/42/98/26/479429826.db2.gz QXEQWLXAHWQRBK-IIBYNOLFSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703219 479429831 /nfs/dbraw/zinc/42/98/31/479429831.db2.gz QXEQWLXAHWQRBK-IIBYNOLFSA-N 2 2 338.499 2.595 20 30 EFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cnn(C)c1 ZINC000593721185 479434503 /nfs/dbraw/zinc/43/45/03/479434503.db2.gz KKYZCOQHWXMHPM-FQEVSTJZSA-N 2 2 337.471 2.997 20 30 EFEDLP N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000614911127 479545191 /nfs/dbraw/zinc/54/51/91/479545191.db2.gz XYYBJVQUWYAHDW-FQEVSTJZSA-N 2 2 344.478 2.884 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000576696145 479582839 /nfs/dbraw/zinc/58/28/39/479582839.db2.gz DSPZTERANHBTNG-MSOLQXFVSA-N 2 2 341.455 2.519 20 30 EFEDLP N#Cc1cccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000579129178 479665499 /nfs/dbraw/zinc/66/54/99/479665499.db2.gz REFDFAQJODIDQQ-UHFFFAOYSA-N 3 2 334.467 2.641 20 30 EFEDLP C=C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)OC ZINC000619701188 479861072 /nfs/dbraw/zinc/86/10/72/479861072.db2.gz AGPCVOSSUJQPAF-QGZVFWFLSA-N 2 2 336.863 2.869 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000653610146 481361042 /nfs/dbraw/zinc/36/10/42/481361042.db2.gz ZEUWFVPLGYYCLK-HKUYNNGSSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000653610146 481361052 /nfs/dbraw/zinc/36/10/52/481361052.db2.gz ZEUWFVPLGYYCLK-HKUYNNGSSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648316111 481453562 /nfs/dbraw/zinc/45/35/62/481453562.db2.gz DETWSMYLICCDKI-QGZVFWFLSA-N 2 2 333.520 2.798 20 30 EFEDLP C=CCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648316111 481453571 /nfs/dbraw/zinc/45/35/71/481453571.db2.gz DETWSMYLICCDKI-QGZVFWFLSA-N 2 2 333.520 2.798 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673819 482088206 /nfs/dbraw/zinc/08/82/06/482088206.db2.gz GULQYEOAMXGLCS-UHFFFAOYSA-N 2 2 329.488 2.665 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245722066 522044099 /nfs/dbraw/zinc/04/40/99/522044099.db2.gz UWIURBDQYJNQKU-DOTOQJQBSA-N 2 2 340.427 2.725 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245722066 522044103 /nfs/dbraw/zinc/04/41/03/522044103.db2.gz UWIURBDQYJNQKU-DOTOQJQBSA-N 2 2 340.427 2.725 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173906834 526374286 /nfs/dbraw/zinc/37/42/86/526374286.db2.gz MUSCVMMUCOZWEJ-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173906834 526374291 /nfs/dbraw/zinc/37/42/91/526374291.db2.gz MUSCVMMUCOZWEJ-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173906834 526374295 /nfs/dbraw/zinc/37/42/95/526374295.db2.gz MUSCVMMUCOZWEJ-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173906834 526374296 /nfs/dbraw/zinc/37/42/96/526374296.db2.gz MUSCVMMUCOZWEJ-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP CC(C)(C)[S@@](=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181764168 526744192 /nfs/dbraw/zinc/74/41/92/526744192.db2.gz DUHDZYAUVVQWBD-DEOSSOPVSA-N 2 2 347.528 2.659 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000172655145 527130971 /nfs/dbraw/zinc/13/09/71/527130971.db2.gz VCRUSOZDVZGKIY-SFHVURJKSA-N 2 2 344.503 2.797 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000172655145 527130974 /nfs/dbraw/zinc/13/09/74/527130974.db2.gz VCRUSOZDVZGKIY-SFHVURJKSA-N 2 2 344.503 2.797 20 30 EFEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884351 527820624 /nfs/dbraw/zinc/82/06/24/527820624.db2.gz QAAQHSVKWGKDSL-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884351 527820626 /nfs/dbraw/zinc/82/06/26/527820626.db2.gz QAAQHSVKWGKDSL-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884351 527820630 /nfs/dbraw/zinc/82/06/30/527820630.db2.gz QAAQHSVKWGKDSL-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884351 527820638 /nfs/dbraw/zinc/82/06/38/527820638.db2.gz QAAQHSVKWGKDSL-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2CCO[C@@H]21 ZINC000181800712 527867123 /nfs/dbraw/zinc/86/71/23/527867123.db2.gz ZSGJYQPFKSKGQF-AQNXPRMDSA-N 2 2 339.483 2.926 20 30 EFEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000160944462 528808522 /nfs/dbraw/zinc/80/85/22/528808522.db2.gz QXXDTAHKBFOXBS-INIZCTEOSA-N 2 2 341.459 2.741 20 30 EFEDLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)CC1 ZINC000174274964 529148906 /nfs/dbraw/zinc/14/89/06/529148906.db2.gz PSLKAJOJUCTDCC-UHFFFAOYSA-N 2 2 338.455 2.579 20 30 EFEDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)CC1 ZINC000174274964 529148907 /nfs/dbraw/zinc/14/89/07/529148907.db2.gz PSLKAJOJUCTDCC-UHFFFAOYSA-N 2 2 338.455 2.579 20 30 EFEDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2F)CC1 ZINC000174368049 529153130 /nfs/dbraw/zinc/15/31/30/529153130.db2.gz CDEMTSJXGCXHGV-UHFFFAOYSA-N 2 2 342.418 2.722 20 30 EFEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261858270 535262117 /nfs/dbraw/zinc/26/21/17/535262117.db2.gz YDFDQKDAFCCRAG-KSZLIROESA-N 2 2 344.503 2.691 20 30 EFEDLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCCCC#N ZINC000299462019 536896763 /nfs/dbraw/zinc/89/67/63/536896763.db2.gz ZYRWPAUJRJHFGG-HNNXBMFYSA-N 2 2 328.416 2.753 20 30 EFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000356927179 536897627 /nfs/dbraw/zinc/89/76/27/536897627.db2.gz UPOXAJJNYPHULU-MRXNPFEDSA-N 2 2 329.444 2.704 20 30 EFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OCCCC#N ZINC000356927179 536897630 /nfs/dbraw/zinc/89/76/30/536897630.db2.gz UPOXAJJNYPHULU-MRXNPFEDSA-N 2 2 329.444 2.704 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389234 547142059 /nfs/dbraw/zinc/14/20/59/547142059.db2.gz TWLSJFOTZSXBSV-MJGOQNOKSA-N 2 2 339.487 2.997 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389234 547142063 /nfs/dbraw/zinc/14/20/63/547142063.db2.gz TWLSJFOTZSXBSV-MJGOQNOKSA-N 2 2 339.487 2.997 20 30 EFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000657831803 547296614 /nfs/dbraw/zinc/29/66/14/547296614.db2.gz BRXVOTASYONDPR-RBUKOAKNSA-N 2 2 343.519 2.713 20 30 EFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000658011986 547336150 /nfs/dbraw/zinc/33/61/50/547336150.db2.gz FGQLDKPFJAGZPR-BDZKXGRMSA-N 2 2 333.520 2.795 20 30 EFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000658011986 547336153 /nfs/dbraw/zinc/33/61/53/547336153.db2.gz FGQLDKPFJAGZPR-BDZKXGRMSA-N 2 2 333.520 2.795 20 30 EFEDLP CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000753937799 575362984 /nfs/dbraw/zinc/36/29/84/575362984.db2.gz GZZZZBBTLJNVCO-ROUUACIJSA-N 2 2 336.443 2.765 20 30 EFEDLP C[N@H+](Cc1ccccc1)CC(C)(C)CN=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936993 575362989 /nfs/dbraw/zinc/36/29/89/575362989.db2.gz XRJFICOUMXEFDB-QZTJIDSGSA-N 2 2 341.503 2.990 20 30 EFEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)CN=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936993 575362991 /nfs/dbraw/zinc/36/29/91/575362991.db2.gz XRJFICOUMXEFDB-QZTJIDSGSA-N 2 2 341.503 2.990 20 30 EFEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(O)c(OC)c1 ZINC000755787510 575634351 /nfs/dbraw/zinc/63/43/51/575634351.db2.gz ABYDRSHQRGQZCA-OAHLLOKOSA-N 2 2 327.428 2.852 20 30 EFEDLP C=CCc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(O)c(OC)c1 ZINC000755787510 575634354 /nfs/dbraw/zinc/63/43/54/575634354.db2.gz ABYDRSHQRGQZCA-OAHLLOKOSA-N 2 2 327.428 2.852 20 30 EFEDLP c1cn(-c2ccc(N=NC3CCCC[C@@H]3[NH+]3CCCCC3)nn2)c[nH+]1 ZINC000761832308 576216762 /nfs/dbraw/zinc/21/67/62/576216762.db2.gz ZHMONTQRBXSMNL-INIZCTEOSA-N 2 2 339.447 2.859 20 30 EFEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000725780085 577222646 /nfs/dbraw/zinc/22/26/46/577222646.db2.gz WPOLNPMSAWNZEJ-INIZCTEOSA-N 2 2 349.548 2.928 20 30 EFEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000725780085 577222647 /nfs/dbraw/zinc/22/26/47/577222647.db2.gz WPOLNPMSAWNZEJ-INIZCTEOSA-N 2 2 349.548 2.928 20 30 EFEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000769564622 577372844 /nfs/dbraw/zinc/37/28/44/577372844.db2.gz CMCDFXOQGTUBMK-UHFFFAOYSA-N 2 2 341.459 2.909 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3nncc4ccccc43)cc2)CC1 ZINC000771553888 581222225 /nfs/dbraw/zinc/22/22/25/581222225.db2.gz TVSNVKMOMJPELS-UHFFFAOYSA-N 2 2 346.438 2.828 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4ccccc4[nH]3)cc2)CC1 ZINC000771556051 581222505 /nfs/dbraw/zinc/22/25/05/581222505.db2.gz ULSFPZMDRATRBV-UHFFFAOYSA-N 2 2 334.427 2.761 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cnc4ccccc4n3)cc2)CC1 ZINC000771564498 581222949 /nfs/dbraw/zinc/22/29/49/581222949.db2.gz UIFVZYHBBAEZGD-UHFFFAOYSA-N 2 2 346.438 2.828 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000771830405 581248571 /nfs/dbraw/zinc/24/85/71/581248571.db2.gz QNNYFNCLVLABID-UHFFFAOYSA-N 3 2 342.531 2.569 20 30 EFEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]OC2CCOCC2)CC1 ZINC000774435787 581491493 /nfs/dbraw/zinc/49/14/93/581491493.db2.gz VZMIYRDCGFWIAC-UHFFFAOYSA-N 2 2 337.851 2.621 20 30 EFEDLP C=CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743395 606746716 /nfs/dbraw/zinc/74/67/16/606746716.db2.gz IBDSSYKNOHVGIU-GOSISDBHSA-N 2 2 340.475 2.729 20 30 EFEDLP C=CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743395 606746718 /nfs/dbraw/zinc/74/67/18/606746718.db2.gz IBDSSYKNOHVGIU-GOSISDBHSA-N 2 2 340.475 2.729 20 30 EFEDLP C=CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743395 606746720 /nfs/dbraw/zinc/74/67/20/606746720.db2.gz IBDSSYKNOHVGIU-GOSISDBHSA-N 2 2 340.475 2.729 20 30 EFEDLP C=CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743395 606746722 /nfs/dbraw/zinc/74/67/22/606746722.db2.gz IBDSSYKNOHVGIU-GOSISDBHSA-N 2 2 340.475 2.729 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943517516 1253085272 /nfs/dbraw/zinc/08/52/72/1253085272.db2.gz OZOVZAXUSYTUOJ-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943517516 1253085277 /nfs/dbraw/zinc/08/52/77/1253085277.db2.gz OZOVZAXUSYTUOJ-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000996476454 1255343380 /nfs/dbraw/zinc/34/33/80/1255343380.db2.gz QSZKPLDUKHSNRX-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098821652 1256013240 /nfs/dbraw/zinc/01/32/40/1256013240.db2.gz QUOQZOFJRUKYSX-AEFFLSMTSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574100 1256170707 /nfs/dbraw/zinc/17/07/07/1256170707.db2.gz NMEONJJSXBNJFI-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574100 1256170710 /nfs/dbraw/zinc/17/07/10/1256170710.db2.gz NMEONJJSXBNJFI-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574100 1256170713 /nfs/dbraw/zinc/17/07/13/1256170713.db2.gz NMEONJJSXBNJFI-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574100 1256170716 /nfs/dbraw/zinc/17/07/16/1256170716.db2.gz NMEONJJSXBNJFI-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997219094 1257264157 /nfs/dbraw/zinc/26/41/57/1257264157.db2.gz JQRMBIPWQIFFOJ-OAHLLOKOSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997374668 1257552654 /nfs/dbraw/zinc/55/26/54/1257552654.db2.gz FGCCRODAYUXYFP-MRXNPFEDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000997696429 1258256434 /nfs/dbraw/zinc/25/64/34/1258256434.db2.gz 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2.955 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000730097521 1264192480 /nfs/dbraw/zinc/19/24/80/1264192480.db2.gz DTGHMMAVTZLMGE-PXNSSMCTSA-N 2 2 339.483 2.955 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754365 1264319581 /nfs/dbraw/zinc/31/95/81/1264319581.db2.gz KZLLCLXZYVQADS-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754365 1264319595 /nfs/dbraw/zinc/31/95/95/1264319595.db2.gz KZLLCLXZYVQADS-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029321 1264975493 /nfs/dbraw/zinc/97/54/93/1264975493.db2.gz YGFXDKUOYKQKHB-NUJGCVRESA-N 2 2 342.487 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029321 1264975500 /nfs/dbraw/zinc/97/55/00/1264975500.db2.gz YGFXDKUOYKQKHB-NUJGCVRESA-N 2 2 342.487 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045963 1265019306 /nfs/dbraw/zinc/01/93/06/1265019306.db2.gz RLHXEWLMVFGGDV-KURKYZTESA-N 2 2 330.476 2.723 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045963 1265019313 /nfs/dbraw/zinc/01/93/13/1265019313.db2.gz RLHXEWLMVFGGDV-KURKYZTESA-N 2 2 330.476 2.723 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004461215 1267102016 /nfs/dbraw/zinc/10/20/16/1267102016.db2.gz YSAKXCWRKOJTDF-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004461215 1267102019 /nfs/dbraw/zinc/10/20/19/1267102019.db2.gz YSAKXCWRKOJTDF-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004461215 1267102025 /nfs/dbraw/zinc/10/20/25/1267102025.db2.gz YSAKXCWRKOJTDF-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004461215 1267102029 /nfs/dbraw/zinc/10/20/29/1267102029.db2.gz YSAKXCWRKOJTDF-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469409 1267114496 /nfs/dbraw/zinc/11/44/96/1267114496.db2.gz MWORKHHRBYEGGL-GOSISDBHSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469409 1267114502 /nfs/dbraw/zinc/11/45/02/1267114502.db2.gz MWORKHHRBYEGGL-GOSISDBHSA-N 2 2 344.503 2.816 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001004474430 1267121664 /nfs/dbraw/zinc/12/16/64/1267121664.db2.gz NRZGIRBQZOHEEM-LJQANCHMSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001004474430 1267121667 /nfs/dbraw/zinc/12/16/67/1267121667.db2.gz NRZGIRBQZOHEEM-LJQANCHMSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566996 1267300715 /nfs/dbraw/zinc/30/07/15/1267300715.db2.gz FXIKYSITGWPKMD-WMZOPIPTSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566996 1267300725 /nfs/dbraw/zinc/30/07/25/1267300725.db2.gz FXIKYSITGWPKMD-WMZOPIPTSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581000 1267328496 /nfs/dbraw/zinc/32/84/96/1267328496.db2.gz RVVQHOAJNIECAV-APWZRJJASA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581000 1267328506 /nfs/dbraw/zinc/32/85/06/1267328506.db2.gz RVVQHOAJNIECAV-APWZRJJASA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581000 1267328517 /nfs/dbraw/zinc/32/85/17/1267328517.db2.gz RVVQHOAJNIECAV-APWZRJJASA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581000 1267328526 /nfs/dbraw/zinc/32/85/26/1267328526.db2.gz RVVQHOAJNIECAV-APWZRJJASA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582356 1267332502 /nfs/dbraw/zinc/33/25/02/1267332502.db2.gz VKGPFXHNXHDEDK-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582356 1267332510 /nfs/dbraw/zinc/33/25/10/1267332510.db2.gz VKGPFXHNXHDEDK-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597599 1267369902 /nfs/dbraw/zinc/36/99/02/1267369902.db2.gz SNGJXVWYCXJEAS-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597599 1267369917 /nfs/dbraw/zinc/36/99/17/1267369917.db2.gz SNGJXVWYCXJEAS-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612026 1267401021 /nfs/dbraw/zinc/40/10/21/1267401021.db2.gz YCCFWSSJAGYNMY-LJQANCHMSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612026 1267401028 /nfs/dbraw/zinc/40/10/28/1267401028.db2.gz YCCFWSSJAGYNMY-LJQANCHMSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623388 1267403728 /nfs/dbraw/zinc/40/37/28/1267403728.db2.gz HCHVLOXXPGDXCJ-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623388 1267403731 /nfs/dbraw/zinc/40/37/31/1267403731.db2.gz HCHVLOXXPGDXCJ-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151608 1267452117 /nfs/dbraw/zinc/45/21/17/1267452117.db2.gz KHHHNVIVYBPUCG-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151608 1267452121 /nfs/dbraw/zinc/45/21/21/1267452121.db2.gz KHHHNVIVYBPUCG-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033151608 1267452123 /nfs/dbraw/zinc/45/21/23/1267452123.db2.gz KHHHNVIVYBPUCG-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033151608 1267452128 /nfs/dbraw/zinc/45/21/28/1267452128.db2.gz KHHHNVIVYBPUCG-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP N#Cc1ccc(-c2ccn(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000738110700 1268353892 /nfs/dbraw/zinc/35/38/92/1268353892.db2.gz RVBHOACIMVPEJL-UHFFFAOYSA-N 2 2 332.411 2.913 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085747073 1268404233 /nfs/dbraw/zinc/40/42/33/1268404233.db2.gz YACGHIWIHOMNEV-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085747073 1268404241 /nfs/dbraw/zinc/40/42/41/1268404241.db2.gz YACGHIWIHOMNEV-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803805 1268740005 /nfs/dbraw/zinc/74/00/05/1268740005.db2.gz WPBCRXHIVWFNFL-GBESFXJTSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803805 1268740010 /nfs/dbraw/zinc/74/00/10/1268740010.db2.gz WPBCRXHIVWFNFL-GBESFXJTSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419532 1269123101 /nfs/dbraw/zinc/12/31/01/1269123101.db2.gz ALHRDYYDLKTSNC-SFHVURJKSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419532 1269123102 /nfs/dbraw/zinc/12/31/02/1269123102.db2.gz ALHRDYYDLKTSNC-SFHVURJKSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685191 1269796490 /nfs/dbraw/zinc/79/64/90/1269796490.db2.gz OOGGRLWEBKSPKK-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685191 1269796502 /nfs/dbraw/zinc/79/65/02/1269796502.db2.gz OOGGRLWEBKSPKK-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001033685191 1269796511 /nfs/dbraw/zinc/79/65/11/1269796511.db2.gz OOGGRLWEBKSPKK-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001033685191 1269796517 /nfs/dbraw/zinc/79/65/17/1269796517.db2.gz OOGGRLWEBKSPKK-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033912278 1270528635 /nfs/dbraw/zinc/52/86/35/1270528635.db2.gz IMBJZUWDEKVEND-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033912278 1270528642 /nfs/dbraw/zinc/52/86/42/1270528642.db2.gz IMBJZUWDEKVEND-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932255 1270618486 /nfs/dbraw/zinc/61/84/86/1270618486.db2.gz JZJRGNJXKXGPAC-DLBZAZTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932255 1270618488 /nfs/dbraw/zinc/61/84/88/1270618488.db2.gz JZJRGNJXKXGPAC-DLBZAZTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932255 1270618491 /nfs/dbraw/zinc/61/84/91/1270618491.db2.gz JZJRGNJXKXGPAC-DLBZAZTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932255 1270618494 /nfs/dbraw/zinc/61/84/94/1270618494.db2.gz JZJRGNJXKXGPAC-DLBZAZTESA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004515 1270858099 /nfs/dbraw/zinc/85/80/99/1270858099.db2.gz OAXBWQIUIPVLRT-KRWDZBQOSA-N 2 2 341.927 2.782 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004515 1270858102 /nfs/dbraw/zinc/85/81/02/1270858102.db2.gz OAXBWQIUIPVLRT-KRWDZBQOSA-N 2 2 341.927 2.782 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034259730 1271467641 /nfs/dbraw/zinc/46/76/41/1271467641.db2.gz BZMCVOHBOZIMEW-KRWDZBQOSA-N 2 2 332.492 2.864 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034259730 1271467648 /nfs/dbraw/zinc/46/76/48/1271467648.db2.gz BZMCVOHBOZIMEW-KRWDZBQOSA-N 2 2 332.492 2.864 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001034731788 1272752255 /nfs/dbraw/zinc/75/22/55/1272752255.db2.gz VLSLWKAGSHOOPL-MGPQQGTHSA-N 2 2 336.867 2.599 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108711338 1273407544 /nfs/dbraw/zinc/40/75/44/1273407544.db2.gz FTTAQGACKZDQCE-KSZLIROESA-N 2 2 344.503 2.862 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001108711871 1273408415 /nfs/dbraw/zinc/40/84/15/1273408415.db2.gz UNXPTANEKJRSJX-JQHSSLGASA-N 2 2 343.471 2.568 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785656 1273472906 /nfs/dbraw/zinc/47/29/06/1273472906.db2.gz LGXNTRMCTYLCQP-BBWFWOEESA-N 2 2 330.476 2.668 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108800083 1273494030 /nfs/dbraw/zinc/49/40/30/1273494030.db2.gz ZJJRZYSOPKFOCY-JYJNAYRXSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222915 1273835132 /nfs/dbraw/zinc/83/51/32/1273835132.db2.gz HOLHOVQYRBGDLV-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222915 1273835142 /nfs/dbraw/zinc/83/51/42/1273835142.db2.gz HOLHOVQYRBGDLV-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035209956 1273859596 /nfs/dbraw/zinc/85/95/96/1273859596.db2.gz FQRRZZLZQZDMJL-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035209956 1273859604 /nfs/dbraw/zinc/85/96/04/1273859604.db2.gz FQRRZZLZQZDMJL-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109222876 1274033703 /nfs/dbraw/zinc/03/37/03/1274033703.db2.gz FUDPQOKWTQTTDO-IKGGRYGDSA-N 2 2 330.476 2.810 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109222876 1274033711 /nfs/dbraw/zinc/03/37/11/1274033711.db2.gz FUDPQOKWTQTTDO-IKGGRYGDSA-N 2 2 330.476 2.810 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035720383 1274406568 /nfs/dbraw/zinc/40/65/68/1274406568.db2.gz KCZXLHCAFPNPEF-INIZCTEOSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035720383 1274406571 /nfs/dbraw/zinc/40/65/71/1274406571.db2.gz KCZXLHCAFPNPEF-INIZCTEOSA-N 2 2 339.911 2.538 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581070 1274446429 /nfs/dbraw/zinc/44/64/29/1274446429.db2.gz HYDQVMNXKOBZFU-SQNIBIBYSA-N 2 2 330.476 2.741 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581070 1274446433 /nfs/dbraw/zinc/44/64/33/1274446433.db2.gz HYDQVMNXKOBZFU-SQNIBIBYSA-N 2 2 330.476 2.741 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001036077066 1275036684 /nfs/dbraw/zinc/03/66/84/1275036684.db2.gz MZIPPMSHUMRBFV-SWLSCSKDSA-N 2 2 338.883 2.506 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001036227084 1275255867 /nfs/dbraw/zinc/25/58/67/1275255867.db2.gz ZAPSCIRGNTYNDC-AEFFLSMTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036306608 1275427097 /nfs/dbraw/zinc/42/70/97/1275427097.db2.gz XYTKSFVBVDFFNH-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036306608 1275427098 /nfs/dbraw/zinc/42/70/98/1275427098.db2.gz XYTKSFVBVDFFNH-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001112909658 1276228866 /nfs/dbraw/zinc/22/88/66/1276228866.db2.gz VDGPIVSZPBTWDW-HNNXBMFYSA-N 2 2 335.517 2.922 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001112964967 1276352597 /nfs/dbraw/zinc/35/25/97/1276352597.db2.gz CXMSDGANYRNJJA-KRWDZBQOSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001112965778 1276353870 /nfs/dbraw/zinc/35/38/70/1276353870.db2.gz NQZUDZQNIOKCKD-KRWDZBQOSA-N 2 2 330.476 2.651 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(N)cc3)CC2)cc1 ZINC000817956997 1276398352 /nfs/dbraw/zinc/39/83/52/1276398352.db2.gz HGHHNFUGYAOBPV-UHFFFAOYSA-N 2 2 334.467 2.937 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896611 1276502308 /nfs/dbraw/zinc/50/23/08/1276502308.db2.gz YEJBIOCIMBJZNC-CRAIPNDOSA-N 2 2 347.507 2.631 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896611 1276502317 /nfs/dbraw/zinc/50/23/17/1276502317.db2.gz YEJBIOCIMBJZNC-CRAIPNDOSA-N 2 2 347.507 2.631 20 30 EFEDLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092108 1276602210 /nfs/dbraw/zinc/60/22/10/1276602210.db2.gz RJQQATVWNBJMFP-QGZVFWFLSA-N 2 2 341.480 2.831 20 30 EFEDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092108 1276602217 /nfs/dbraw/zinc/60/22/17/1276602217.db2.gz RJQQATVWNBJMFP-QGZVFWFLSA-N 2 2 341.480 2.831 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073061 1276620147 /nfs/dbraw/zinc/62/01/47/1276620147.db2.gz AUIJCVKVUIMDCG-WOJBJXKFSA-N 2 2 325.456 2.781 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073061 1276620155 /nfs/dbraw/zinc/62/01/55/1276620155.db2.gz AUIJCVKVUIMDCG-WOJBJXKFSA-N 2 2 325.456 2.781 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113266376 1277443586 /nfs/dbraw/zinc/44/35/86/1277443586.db2.gz XXVRXKTUMPMGED-SFHVURJKSA-N 2 2 346.519 2.869 20 30 EFEDLP C=CCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529025 1278010868 /nfs/dbraw/zinc/01/08/68/1278010868.db2.gz ATCDJAPGLRUHJW-IBGZPJMESA-N 2 2 329.488 2.790 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001171212915 1280030308 /nfs/dbraw/zinc/03/03/08/1280030308.db2.gz ROVJWOONHSPLDP-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001171212915 1280030317 /nfs/dbraw/zinc/03/03/17/1280030317.db2.gz ROVJWOONHSPLDP-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001171212915 1280030325 /nfs/dbraw/zinc/03/03/25/1280030325.db2.gz ROVJWOONHSPLDP-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001171212915 1280030333 /nfs/dbraw/zinc/03/03/33/1280030333.db2.gz ROVJWOONHSPLDP-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201786 1287473040 /nfs/dbraw/zinc/47/30/40/1287473040.db2.gz IWHONJBVPYNSJK-LEWJYISDSA-N 2 2 337.467 2.925 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201786 1287473045 /nfs/dbraw/zinc/47/30/45/1287473045.db2.gz IWHONJBVPYNSJK-LEWJYISDSA-N 2 2 337.467 2.925 20 30 EFEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767869 1281253727 /nfs/dbraw/zinc/25/37/27/1281253727.db2.gz SRKVIEQWIMBBQV-KRWDZBQOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767869 1281253736 /nfs/dbraw/zinc/25/37/36/1281253736.db2.gz SRKVIEQWIMBBQV-KRWDZBQOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001147780790 1281283147 /nfs/dbraw/zinc/28/31/47/1281283147.db2.gz UHIACLREODHWKY-MRXNPFEDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001147780790 1281283157 /nfs/dbraw/zinc/28/31/57/1281283157.db2.gz UHIACLREODHWKY-MRXNPFEDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900011 1281798724 /nfs/dbraw/zinc/79/87/24/1281798724.db2.gz OMQPGQWRVOJTGQ-UHFFFAOYSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900011 1281798728 /nfs/dbraw/zinc/79/87/28/1281798728.db2.gz OMQPGQWRVOJTGQ-UHFFFAOYSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900075 1281800122 /nfs/dbraw/zinc/80/01/22/1281800122.db2.gz QMCHGNWWAHIMHI-QGZVFWFLSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900075 1281800128 /nfs/dbraw/zinc/80/01/28/1281800128.db2.gz QMCHGNWWAHIMHI-QGZVFWFLSA-N 2 2 330.476 2.552 20 30 EFEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945957 1281981388 /nfs/dbraw/zinc/98/13/88/1281981388.db2.gz MHSKYNHRBBGBJF-ROUUACIJSA-N 2 2 342.487 2.561 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086947891 1281988190 /nfs/dbraw/zinc/98/81/90/1281988190.db2.gz KAJKESCKHLKFRU-SJORKVTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086947891 1281988195 /nfs/dbraw/zinc/98/81/95/1281988195.db2.gz KAJKESCKHLKFRU-SJORKVTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001086932643 1282004053 /nfs/dbraw/zinc/00/40/53/1282004053.db2.gz PXLLTCJYESRHAH-MRXNPFEDSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779590 1282145725 /nfs/dbraw/zinc/14/57/25/1282145725.db2.gz BINBSERXBDKOSC-XLIONFOSSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779590 1282145730 /nfs/dbraw/zinc/14/57/30/1282145730.db2.gz BINBSERXBDKOSC-XLIONFOSSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056275 1282356162 /nfs/dbraw/zinc/35/61/62/1282356162.db2.gz BNBZYEPDHAMRNG-LMMKCTJWSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056275 1282356166 /nfs/dbraw/zinc/35/61/66/1282356166.db2.gz BNBZYEPDHAMRNG-LMMKCTJWSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132049526 1282848720 /nfs/dbraw/zinc/84/87/20/1282848720.db2.gz DBAPWOASUMEERG-SJORKVTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132049526 1282848725 /nfs/dbraw/zinc/84/87/25/1282848725.db2.gz DBAPWOASUMEERG-SJORKVTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717585 1283222576 /nfs/dbraw/zinc/22/25/76/1283222576.db2.gz YBUAGRUFEXFSGC-ROUUACIJSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717585 1283222581 /nfs/dbraw/zinc/22/25/81/1283222581.db2.gz YBUAGRUFEXFSGC-ROUUACIJSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132355431 1283380269 /nfs/dbraw/zinc/38/02/69/1283380269.db2.gz ZLQRGGFEQSPGQC-GDBMZVCRSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132355431 1283380278 /nfs/dbraw/zinc/38/02/78/1283380278.db2.gz ZLQRGGFEQSPGQC-GDBMZVCRSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036748341 1283394808 /nfs/dbraw/zinc/39/48/08/1283394808.db2.gz BRNOWCBPJWCPNS-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036748341 1283394818 /nfs/dbraw/zinc/39/48/18/1283394818.db2.gz BRNOWCBPJWCPNS-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423558 1283523164 /nfs/dbraw/zinc/52/31/64/1283523164.db2.gz AJOQCBYFDKNBOV-IRXDYDNUSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423558 1283523171 /nfs/dbraw/zinc/52/31/71/1283523171.db2.gz AJOQCBYFDKNBOV-IRXDYDNUSA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771600 1283546652 /nfs/dbraw/zinc/54/66/52/1283546652.db2.gz JWMJZRLYRWVQGP-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771600 1283546656 /nfs/dbraw/zinc/54/66/56/1283546656.db2.gz JWMJZRLYRWVQGP-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444984 1283613734 /nfs/dbraw/zinc/61/37/34/1283613734.db2.gz JPHRWWLZRZOCRP-RDJZCZTQSA-N 2 2 332.492 2.976 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444984 1283613752 /nfs/dbraw/zinc/61/37/52/1283613752.db2.gz JPHRWWLZRZOCRP-RDJZCZTQSA-N 2 2 332.492 2.976 20 30 EFEDLP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093383610 1283856116 /nfs/dbraw/zinc/85/61/16/1283856116.db2.gz KHDHOKAIALRTSP-LJQANCHMSA-N 2 2 342.487 2.552 20 30 EFEDLP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093383610 1283856126 /nfs/dbraw/zinc/85/61/26/1283856126.db2.gz KHDHOKAIALRTSP-LJQANCHMSA-N 2 2 342.487 2.552 20 30 EFEDLP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093383609 1283857044 /nfs/dbraw/zinc/85/70/44/1283857044.db2.gz KHDHOKAIALRTSP-IBGZPJMESA-N 2 2 342.487 2.552 20 30 EFEDLP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093383609 1283857059 /nfs/dbraw/zinc/85/70/59/1283857059.db2.gz KHDHOKAIALRTSP-IBGZPJMESA-N 2 2 342.487 2.552 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000815652719 1287672027 /nfs/dbraw/zinc/67/20/27/1287672027.db2.gz OXYLYEAUAPGSBP-GFCCVEGCSA-N 2 2 325.250 2.760 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000815652719 1287672028 /nfs/dbraw/zinc/67/20/28/1287672028.db2.gz OXYLYEAUAPGSBP-GFCCVEGCSA-N 2 2 325.250 2.760 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672058 /nfs/dbraw/zinc/67/20/58/1287672058.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672061 /nfs/dbraw/zinc/67/20/61/1287672061.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672064 /nfs/dbraw/zinc/67/20/64/1287672064.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672068 /nfs/dbraw/zinc/67/20/68/1287672068.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 3 2 339.527 2.832 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919169 1284466989 /nfs/dbraw/zinc/46/69/89/1284466989.db2.gz FCJFSCJPCBPXOO-RDJZCZTQSA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919811 1284467628 /nfs/dbraw/zinc/46/76/28/1284467628.db2.gz NGXYTHLMKWYHGZ-ZBFHGGJFSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132924998 1284474015 /nfs/dbraw/zinc/47/40/15/1284474015.db2.gz SKWTYQQYNSFVGQ-AEFFLSMTSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133355218 1285249770 /nfs/dbraw/zinc/24/97/70/1285249770.db2.gz WMCPJZOQFPNMKD-MSOLQXFVSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001133398153 1285314229 /nfs/dbraw/zinc/31/42/29/1285314229.db2.gz GVVAYRWWWWDACT-UHFFFAOYSA-N 2 2 346.862 2.800 20 30 EFEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001133398153 1285314240 /nfs/dbraw/zinc/31/42/40/1285314240.db2.gz GVVAYRWWWWDACT-UHFFFAOYSA-N 2 2 346.862 2.800 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171474431 1285587748 /nfs/dbraw/zinc/58/77/48/1285587748.db2.gz BIPKOKMHDDMBMC-CQSZACIVSA-N 2 2 340.899 2.944 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577213 1285657756 /nfs/dbraw/zinc/65/77/56/1285657756.db2.gz PLWIBZKJHTTYAZ-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595784 1285667772 /nfs/dbraw/zinc/66/77/72/1285667772.db2.gz GNBIFTFQCPIWIP-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604190 1285672681 /nfs/dbraw/zinc/67/26/81/1285672681.db2.gz HRYDPWYHKATADG-GDBMZVCRSA-N 2 2 332.492 2.664 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604190 1285672692 /nfs/dbraw/zinc/67/26/92/1285672692.db2.gz HRYDPWYHKATADG-GDBMZVCRSA-N 2 2 332.492 2.664 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604193 1285673467 /nfs/dbraw/zinc/67/34/67/1285673467.db2.gz HRYDPWYHKATADG-ZBFHGGJFSA-N 2 2 332.492 2.664 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604193 1285673470 /nfs/dbraw/zinc/67/34/70/1285673470.db2.gz HRYDPWYHKATADG-ZBFHGGJFSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171603910 1285673502 /nfs/dbraw/zinc/67/35/02/1285673502.db2.gz DSGRZOXXXKQBIN-GDBMZVCRSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171603910 1285673508 /nfs/dbraw/zinc/67/35/08/1285673508.db2.gz DSGRZOXXXKQBIN-GDBMZVCRSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171607144 1285674455 /nfs/dbraw/zinc/67/44/55/1285674455.db2.gz ZLVNDTNYXCFLMQ-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccccc2F)cc1 ZINC000747838946 1285686772 /nfs/dbraw/zinc/68/67/72/1285686772.db2.gz SRQLITFSNBBZOH-UHFFFAOYSA-N 2 2 331.391 2.603 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171978172 1285962749 /nfs/dbraw/zinc/96/27/49/1285962749.db2.gz WYRIJWOSWLIFSV-MSOLQXFVSA-N 2 2 347.503 2.939 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171978172 1285962757 /nfs/dbraw/zinc/96/27/57/1285962757.db2.gz WYRIJWOSWLIFSV-MSOLQXFVSA-N 2 2 347.503 2.939 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001172303998 1286090374 /nfs/dbraw/zinc/09/03/74/1286090374.db2.gz JPRHASVKQIDVDE-ZPMCFJSWSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172303847 1286090440 /nfs/dbraw/zinc/09/04/40/1286090440.db2.gz IIXACIHCIUEHOR-KRWDZBQOSA-N 2 2 349.482 2.797 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172303847 1286090442 /nfs/dbraw/zinc/09/04/42/1286090442.db2.gz IIXACIHCIUEHOR-KRWDZBQOSA-N 2 2 349.482 2.797 20 30 EFEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CCCC#N)CC2)cc1 ZINC001172478105 1286143087 /nfs/dbraw/zinc/14/30/87/1286143087.db2.gz BQPDLOLAATZFDC-GOSISDBHSA-N 2 2 344.503 2.879 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094962858 1286302634 /nfs/dbraw/zinc/30/26/34/1286302634.db2.gz JPVDFFKWFYFPDB-KKUMJFAQSA-N 2 2 344.846 2.670 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134404314 1286661853 /nfs/dbraw/zinc/66/18/53/1286661853.db2.gz ZJDHHVHTSQBWAW-JKSUJKDBSA-N 2 2 332.492 2.601 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134744121 1287138837 /nfs/dbraw/zinc/13/88/37/1287138837.db2.gz JDVMLRKDXZBJPT-STQMWFEESA-N 2 2 326.872 2.552 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769485 1288126956 /nfs/dbraw/zinc/12/69/56/1288126956.db2.gz MPKMCIZLVNFNKC-WMZOPIPTSA-N 2 2 332.492 2.525 20 30 EFEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431270 1288437391 /nfs/dbraw/zinc/43/73/91/1288437391.db2.gz QPPZXGWBWSUCCY-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177492178 1288447563 /nfs/dbraw/zinc/44/75/63/1288447563.db2.gz BKCRKGHBOIDWCL-UHFFFAOYSA-N 2 2 344.503 2.685 20 30 EFEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841250 1288473101 /nfs/dbraw/zinc/47/31/01/1288473101.db2.gz XYVWPHNBNCQJQH-HZPDHXFCSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135916700 1288597746 /nfs/dbraw/zinc/59/77/46/1288597746.db2.gz QWMLLULVTFOTCY-JKSUJKDBSA-N 2 2 341.459 2.720 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178536444 1288808100 /nfs/dbraw/zinc/80/81/00/1288808100.db2.gz WDKWNIBQOWDZKN-UHFFFAOYSA-N 2 2 346.519 2.994 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178864987 1288947579 /nfs/dbraw/zinc/94/75/79/1288947579.db2.gz MPFQEGYHAOGPJI-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165834870 1312689582 /nfs/dbraw/zinc/68/95/82/1312689582.db2.gz FHVSLVFOJBEYOV-DLBZAZTESA-N 2 2 344.503 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165835915 1312690198 /nfs/dbraw/zinc/69/01/98/1312690198.db2.gz KPQTYPAAYBLKIB-INIZCTEOSA-N 2 2 344.503 2.665 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165835915 1312690202 /nfs/dbraw/zinc/69/02/02/1312690202.db2.gz KPQTYPAAYBLKIB-INIZCTEOSA-N 2 2 344.503 2.665 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849389 1312691910 /nfs/dbraw/zinc/69/19/10/1312691910.db2.gz QGJBCFZNTNTTSM-IRXDYDNUSA-N 2 2 344.503 2.676 20 30 EFEDLP C#CCC[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179972992 1289345492 /nfs/dbraw/zinc/34/54/92/1289345492.db2.gz IVUMCWBOWDSYTA-UHFFFAOYSA-N 2 2 338.455 2.775 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001180386328 1289501988 /nfs/dbraw/zinc/50/19/88/1289501988.db2.gz CBCKWHVMBVETSQ-IBGZPJMESA-N 2 2 346.519 2.917 20 30 EFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCS[C@H](CC)C1 ZINC000124399244 1289565242 /nfs/dbraw/zinc/56/52/42/1289565242.db2.gz PRSYHIUYICMRBC-MRXNPFEDSA-N 2 2 349.548 2.555 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181278568 1289762288 /nfs/dbraw/zinc/76/22/88/1289762288.db2.gz FBLINSWYNUQABI-JTDSTZFVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001181468208 1289801230 /nfs/dbraw/zinc/80/12/30/1289801230.db2.gz ROKGOCLLWOCOPN-FOIQADDNSA-N 2 2 340.471 2.907 20 30 EFEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820814 1289962048 /nfs/dbraw/zinc/96/20/48/1289962048.db2.gz UPXPGRKNMZUBDP-WSTZPKSXSA-N 2 2 344.503 2.568 20 30 EFEDLP C=CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001182038446 1290051138 /nfs/dbraw/zinc/05/11/38/1290051138.db2.gz QVINUAPUXLAELX-UHFFFAOYSA-N 2 2 341.499 2.619 20 30 EFEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001182116059 1290077447 /nfs/dbraw/zinc/07/74/47/1290077447.db2.gz AACQLZSABZGGFY-DNVCBOLYSA-N 2 2 326.444 2.598 20 30 EFEDLP N#Cc1ccc(O)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001232674359 1312757495 /nfs/dbraw/zinc/75/74/95/1312757495.db2.gz XZKWWZOKCNRYEO-UHFFFAOYSA-N 2 2 343.471 2.588 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767792 1290250942 /nfs/dbraw/zinc/25/09/42/1290250942.db2.gz LMEUSLOGEOLGHH-FRFSOERESA-N 2 2 338.883 2.661 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767867 1290251049 /nfs/dbraw/zinc/25/10/49/1290251049.db2.gz OPNSTVKDJJQXKL-ZIFCJYIRSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855287 1290260244 /nfs/dbraw/zinc/26/02/44/1290260244.db2.gz GUFXXYJJCJIJJI-GPMSIDNRSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855287 1290260251 /nfs/dbraw/zinc/26/02/51/1290260251.db2.gz GUFXXYJJCJIJJI-GPMSIDNRSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855296 1290260427 /nfs/dbraw/zinc/26/04/27/1290260427.db2.gz HFPFEABNDKPWCJ-GPMSIDNRSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855296 1290260429 /nfs/dbraw/zinc/26/04/29/1290260429.db2.gz HFPFEABNDKPWCJ-GPMSIDNRSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184653965 1290489778 /nfs/dbraw/zinc/48/97/78/1290489778.db2.gz UTPSPRWMZKAOCG-IRXDYDNUSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184654428 1290489878 /nfs/dbraw/zinc/48/98/78/1290489878.db2.gz WFMQASZEYMGMMK-DLBZAZTESA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCCC[N@H+]1CCCC[C@@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273500048 1290626589 /nfs/dbraw/zinc/62/65/89/1290626589.db2.gz HRCXTMYEJMNXHH-IBGZPJMESA-N 2 2 330.476 2.733 20 30 EFEDLP C=CCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273500048 1290626597 /nfs/dbraw/zinc/62/65/97/1290626597.db2.gz HRCXTMYEJMNXHH-IBGZPJMESA-N 2 2 330.476 2.733 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185382287 1290663013 /nfs/dbraw/zinc/66/30/13/1290663013.db2.gz YKGLZIUJTQLBIY-IRXDYDNUSA-N 2 2 332.492 2.773 20 30 EFEDLP C[NH+]1CCC2(C[NH+](Cc3ccc(Br)c(C#N)c3)C2)CC1 ZINC001232897845 1312805659 /nfs/dbraw/zinc/80/56/59/1312805659.db2.gz NXONBUKGVKFSHP-UHFFFAOYSA-N 2 2 334.261 2.848 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185790220 1290762381 /nfs/dbraw/zinc/76/23/81/1290762381.db2.gz YSOQLCPZEOHBJP-ROUUACIJSA-N 2 2 332.492 2.704 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185790145 1290763212 /nfs/dbraw/zinc/76/32/12/1290763212.db2.gz YBUKANJZFHRKCJ-QZTJIDSGSA-N 2 2 334.508 2.928 20 30 EFEDLP C#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248848598 1291228297 /nfs/dbraw/zinc/22/82/97/1291228297.db2.gz SNMXZZMOMWOBFM-RBUKOAKNSA-N 2 2 333.520 2.586 20 30 EFEDLP C#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248848598 1291228303 /nfs/dbraw/zinc/22/83/03/1291228303.db2.gz SNMXZZMOMWOBFM-RBUKOAKNSA-N 2 2 333.520 2.586 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286395 1291367632 /nfs/dbraw/zinc/36/76/32/1291367632.db2.gz SQEQAYBDGHNMMZ-OKZBNKHCSA-N 2 2 330.476 2.579 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286395 1291367642 /nfs/dbraw/zinc/36/76/42/1291367642.db2.gz SQEQAYBDGHNMMZ-OKZBNKHCSA-N 2 2 330.476 2.579 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001233080282 1312851014 /nfs/dbraw/zinc/85/10/14/1312851014.db2.gz WUNNENIRSUQGNL-OYRHEFFESA-N 2 2 332.451 2.826 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001233080282 1312851018 /nfs/dbraw/zinc/85/10/18/1312851018.db2.gz WUNNENIRSUQGNL-OYRHEFFESA-N 2 2 332.451 2.826 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001233080282 1312851021 /nfs/dbraw/zinc/85/10/21/1312851021.db2.gz WUNNENIRSUQGNL-OYRHEFFESA-N 2 2 332.451 2.826 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001233080282 1312851022 /nfs/dbraw/zinc/85/10/22/1312851022.db2.gz WUNNENIRSUQGNL-OYRHEFFESA-N 2 2 332.451 2.826 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188630290 1291436373 /nfs/dbraw/zinc/43/63/73/1291436373.db2.gz KLXDXQCNWSZYBD-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188630290 1291436378 /nfs/dbraw/zinc/43/63/78/1291436378.db2.gz KLXDXQCNWSZYBD-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188714543 1291449747 /nfs/dbraw/zinc/44/97/47/1291449747.db2.gz COGALOQDRCSXCU-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188714543 1291449753 /nfs/dbraw/zinc/44/97/53/1291449753.db2.gz COGALOQDRCSXCU-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724473 1291452980 /nfs/dbraw/zinc/45/29/80/1291452980.db2.gz VLVJVENJYIXBMK-ZWKOTPCHSA-N 2 2 332.492 2.776 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724473 1291452989 /nfs/dbraw/zinc/45/29/89/1291452989.db2.gz VLVJVENJYIXBMK-ZWKOTPCHSA-N 2 2 332.492 2.776 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126208 1291509636 /nfs/dbraw/zinc/50/96/36/1291509636.db2.gz UQGHQNRXAUMOJQ-TZIWHRDSSA-N 2 2 339.483 2.845 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126208 1291509638 /nfs/dbraw/zinc/50/96/38/1291509638.db2.gz UQGHQNRXAUMOJQ-TZIWHRDSSA-N 2 2 339.483 2.845 20 30 EFEDLP C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000957445703 1291577433 /nfs/dbraw/zinc/57/74/33/1291577433.db2.gz SZVUBPRHZGHAAP-UHFFFAOYSA-N 2 2 333.476 2.844 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000878608313 1291732528 /nfs/dbraw/zinc/73/25/28/1291732528.db2.gz OIPLIZOTQAQOKC-JGUMPVPUSA-N 2 2 339.483 2.984 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000878608313 1291732534 /nfs/dbraw/zinc/73/25/34/1291732534.db2.gz OIPLIZOTQAQOKC-JGUMPVPUSA-N 2 2 339.483 2.984 20 30 EFEDLP CC(=O)[C@](C#N)(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000878608313 1291732537 /nfs/dbraw/zinc/73/25/37/1291732537.db2.gz OIPLIZOTQAQOKC-JGUMPVPUSA-N 2 2 339.483 2.984 20 30 EFEDLP CC(=O)[C@](C#N)(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000878608313 1291732541 /nfs/dbraw/zinc/73/25/41/1291732541.db2.gz OIPLIZOTQAQOKC-JGUMPVPUSA-N 2 2 339.483 2.984 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957559595 1291765281 /nfs/dbraw/zinc/76/52/81/1291765281.db2.gz LEMTYCYXVIIJCW-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957559595 1291765285 /nfs/dbraw/zinc/76/52/85/1291765285.db2.gz LEMTYCYXVIIJCW-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203229360 1312892845 /nfs/dbraw/zinc/89/28/45/1312892845.db2.gz FJDWLSUDEGNSPG-MOPGFXCFSA-N 2 2 348.450 2.526 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878555 1292359905 /nfs/dbraw/zinc/35/99/05/1292359905.db2.gz JFXZGUGUBWLYEK-NVXWUHKLSA-N 2 2 331.460 2.520 20 30 EFEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878555 1292359910 /nfs/dbraw/zinc/35/99/10/1292359910.db2.gz JFXZGUGUBWLYEK-NVXWUHKLSA-N 2 2 331.460 2.520 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012326 1292425268 /nfs/dbraw/zinc/42/52/68/1292425268.db2.gz XMIGNGMDHZALLP-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012326 1292425274 /nfs/dbraw/zinc/42/52/74/1292425274.db2.gz XMIGNGMDHZALLP-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012455 1292425945 /nfs/dbraw/zinc/42/59/45/1292425945.db2.gz ZRCIGXHXTFQCDP-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012455 1292425946 /nfs/dbraw/zinc/42/59/46/1292425946.db2.gz ZRCIGXHXTFQCDP-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203445102 1312926381 /nfs/dbraw/zinc/92/63/81/1312926381.db2.gz YYDOMHKIRZIGRW-DLBZAZTESA-N 2 2 330.476 2.716 20 30 EFEDLP CCCCCCCCNC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001191074319 1292452780 /nfs/dbraw/zinc/45/27/80/1292452780.db2.gz SFSNXFYCGIYAMO-UHFFFAOYSA-N 2 2 326.529 2.672 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523749 1312964190 /nfs/dbraw/zinc/96/41/90/1312964190.db2.gz GTUYWYNQIYBVQH-OAGGEKHMSA-N 2 2 348.878 2.578 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523749 1312964193 /nfs/dbraw/zinc/96/41/93/1312964193.db2.gz GTUYWYNQIYBVQH-OAGGEKHMSA-N 2 2 348.878 2.578 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605641 1312969169 /nfs/dbraw/zinc/96/91/69/1312969169.db2.gz LDZJYGUDLRXSGF-ROUUACIJSA-N 2 2 346.519 2.950 20 30 EFEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000775571472 1293178792 /nfs/dbraw/zinc/17/87/92/1293178792.db2.gz HOMUIDGFFAMDBV-UXHICEINSA-N 2 2 330.447 2.603 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000883131231 1293473719 /nfs/dbraw/zinc/47/37/19/1293473719.db2.gz QJWDJTKDAUKCHB-UHFFFAOYSA-N 2 2 330.657 2.542 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000883131231 1293473722 /nfs/dbraw/zinc/47/37/22/1293473722.db2.gz QJWDJTKDAUKCHB-UHFFFAOYSA-N 2 2 330.657 2.542 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000883131284 1293473745 /nfs/dbraw/zinc/47/37/45/1293473745.db2.gz UKUGEEBFNVMTLQ-UHFFFAOYSA-N 2 2 338.477 2.535 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000883131284 1293473747 /nfs/dbraw/zinc/47/37/47/1293473747.db2.gz UKUGEEBFNVMTLQ-UHFFFAOYSA-N 2 2 338.477 2.535 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)c(OC)s1 ZINC000883131136 1293474026 /nfs/dbraw/zinc/47/40/26/1293474026.db2.gz IZNMMUPLHPUHJR-UHFFFAOYSA-N 2 2 331.279 2.564 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)c(OC)s1 ZINC000883131136 1293474028 /nfs/dbraw/zinc/47/40/28/1293474028.db2.gz IZNMMUPLHPUHJR-UHFFFAOYSA-N 2 2 331.279 2.564 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194208309 1293554641 /nfs/dbraw/zinc/55/46/41/1293554641.db2.gz FEXKMBDTEQKVBI-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194208309 1293554647 /nfs/dbraw/zinc/55/46/47/1293554647.db2.gz FEXKMBDTEQKVBI-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001194208309 1293554654 /nfs/dbraw/zinc/55/46/54/1293554654.db2.gz FEXKMBDTEQKVBI-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001194208309 1293554660 /nfs/dbraw/zinc/55/46/60/1293554660.db2.gz FEXKMBDTEQKVBI-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814484 1313022088 /nfs/dbraw/zinc/02/20/88/1313022088.db2.gz JZJAQNYJCOWALP-IRXDYDNUSA-N 2 2 330.476 2.647 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814482 1313022179 /nfs/dbraw/zinc/02/21/79/1313022179.db2.gz JZJAQNYJCOWALP-DLBZAZTESA-N 2 2 330.476 2.647 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815840 1313023569 /nfs/dbraw/zinc/02/35/69/1313023569.db2.gz RHOSBAVVMXBJAT-IRXDYDNUSA-N 2 2 330.476 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572005 1313034421 /nfs/dbraw/zinc/03/44/21/1313034421.db2.gz JBAAMLHZYYIMCS-IAGOWNOFSA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572005 1313034424 /nfs/dbraw/zinc/03/44/24/1313034424.db2.gz JBAAMLHZYYIMCS-IAGOWNOFSA-N 2 2 344.846 2.766 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196310340 1294186034 /nfs/dbraw/zinc/18/60/34/1294186034.db2.gz QCAOAIPQTDFYMW-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196310340 1294186040 /nfs/dbraw/zinc/18/60/40/1294186040.db2.gz QCAOAIPQTDFYMW-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196339759 1294203373 /nfs/dbraw/zinc/20/33/73/1294203373.db2.gz CWGZJVHNZJSPFR-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196339759 1294203379 /nfs/dbraw/zinc/20/33/79/1294203379.db2.gz CWGZJVHNZJSPFR-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341987 1294205153 /nfs/dbraw/zinc/20/51/53/1294205153.db2.gz UBLCDCAJXSBJCI-DOTOQJQBSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341987 1294205160 /nfs/dbraw/zinc/20/51/60/1294205160.db2.gz UBLCDCAJXSBJCI-DOTOQJQBSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341987 1294205163 /nfs/dbraw/zinc/20/51/63/1294205163.db2.gz UBLCDCAJXSBJCI-DOTOQJQBSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341987 1294205169 /nfs/dbraw/zinc/20/51/69/1294205169.db2.gz UBLCDCAJXSBJCI-DOTOQJQBSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196641944 1294302227 /nfs/dbraw/zinc/30/22/27/1294302227.db2.gz URUSCRNCGFTBDP-UHFFFAOYSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196641944 1294302234 /nfs/dbraw/zinc/30/22/34/1294302234.db2.gz URUSCRNCGFTBDP-UHFFFAOYSA-N 2 2 327.900 2.538 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396895 1294529184 /nfs/dbraw/zinc/52/91/84/1294529184.db2.gz SQBQHBRNZFNQOR-KRWDZBQOSA-N 2 2 332.492 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396895 1294529194 /nfs/dbraw/zinc/52/91/94/1294529194.db2.gz SQBQHBRNZFNQOR-KRWDZBQOSA-N 2 2 332.492 2.869 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396895 1294529203 /nfs/dbraw/zinc/52/92/03/1294529203.db2.gz SQBQHBRNZFNQOR-KRWDZBQOSA-N 2 2 332.492 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396895 1294529211 /nfs/dbraw/zinc/52/92/11/1294529211.db2.gz SQBQHBRNZFNQOR-KRWDZBQOSA-N 2 2 332.492 2.869 20 30 EFEDLP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303776121 1294579765 /nfs/dbraw/zinc/57/97/65/1294579765.db2.gz HMDDIGPQFHZTEO-GOSISDBHSA-N 2 2 348.491 2.557 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000303783030 1294580924 /nfs/dbraw/zinc/58/09/24/1294580924.db2.gz NTSHHXFWMSECFB-SFHVURJKSA-N 2 2 342.443 2.733 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633407 1313114582 /nfs/dbraw/zinc/11/45/82/1313114582.db2.gz BGSKGFFGGUUVFC-HZPDHXFCSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633407 1313114584 /nfs/dbraw/zinc/11/45/84/1313114584.db2.gz BGSKGFFGGUUVFC-HZPDHXFCSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368227 1295010751 /nfs/dbraw/zinc/01/07/51/1295010751.db2.gz UJVYBRRTCITPIK-UHFFFAOYSA-N 2 2 332.492 2.944 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368227 1295010757 /nfs/dbraw/zinc/01/07/57/1295010757.db2.gz UJVYBRRTCITPIK-UHFFFAOYSA-N 2 2 332.492 2.944 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(F)c(OC)c2)CC1 ZINC001204562410 1313164716 /nfs/dbraw/zinc/16/47/16/1313164716.db2.gz NWWZQQUGSMRMEP-UHFFFAOYSA-N 2 2 347.478 2.626 20 30 EFEDLP C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235004548 1313221058 /nfs/dbraw/zinc/22/10/58/1313221058.db2.gz AIDHSUBXTUALGU-FQEVSTJZSA-N 2 2 330.472 2.844 20 30 EFEDLP C=C(C)COc1ccccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235004548 1313221060 /nfs/dbraw/zinc/22/10/60/1313221060.db2.gz AIDHSUBXTUALGU-FQEVSTJZSA-N 2 2 330.472 2.844 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049759635 1313268569 /nfs/dbraw/zinc/26/85/69/1313268569.db2.gz RBSVJRTVECGNRU-OWCLPIDISA-N 2 2 336.867 2.652 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049759635 1313268573 /nfs/dbraw/zinc/26/85/73/1313268573.db2.gz RBSVJRTVECGNRU-OWCLPIDISA-N 2 2 336.867 2.652 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201174217 1296605670 /nfs/dbraw/zinc/60/56/70/1296605670.db2.gz IININCVMQOGJRS-INIZCTEOSA-N 2 2 338.883 2.803 20 30 EFEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500312 1313300351 /nfs/dbraw/zinc/30/03/51/1313300351.db2.gz QJEWZSNFBAEPCH-SFHVURJKSA-N 2 2 332.492 2.875 20 30 EFEDLP CC1(O)CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000776163189 1296767690 /nfs/dbraw/zinc/76/76/90/1296767690.db2.gz QBXUAQDJHLZREF-UHFFFAOYSA-N 2 2 327.472 2.806 20 30 EFEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512136 1313302601 /nfs/dbraw/zinc/30/26/01/1313302601.db2.gz FGZQUUTUGUKWRQ-UHFFFAOYSA-N 2 2 338.883 2.507 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537328 1313307931 /nfs/dbraw/zinc/30/79/31/1313307931.db2.gz PHMKFPLDEZIPPP-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537327 1313308435 /nfs/dbraw/zinc/30/84/35/1313308435.db2.gz PHMKFPLDEZIPPP-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205552683 1313311210 /nfs/dbraw/zinc/31/12/10/1313311210.db2.gz KOLVGEDLCPPXPM-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205741349 1313347591 /nfs/dbraw/zinc/34/75/91/1313347591.db2.gz AJMJEUPLAPJTDA-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205741350 1313347678 /nfs/dbraw/zinc/34/76/78/1313347678.db2.gz AJMJEUPLAPJTDA-MRXNPFEDSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202447355 1297387323 /nfs/dbraw/zinc/38/73/23/1297387323.db2.gz MNICJBBKMMMMSQ-ZBFHGGJFSA-N 2 2 330.476 2.765 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CO1 ZINC001235968331 1313424761 /nfs/dbraw/zinc/42/47/61/1313424761.db2.gz HERWOSWPOXZBBN-DLBZAZTESA-N 2 2 329.444 2.516 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CO1 ZINC001235968331 1313424764 /nfs/dbraw/zinc/42/47/64/1313424764.db2.gz HERWOSWPOXZBBN-DLBZAZTESA-N 2 2 329.444 2.516 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533238 1313472236 /nfs/dbraw/zinc/47/22/36/1313472236.db2.gz BPECGEXADYZNDL-HZPDHXFCSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533238 1313472238 /nfs/dbraw/zinc/47/22/38/1313472238.db2.gz BPECGEXADYZNDL-HZPDHXFCSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192347 1298281130 /nfs/dbraw/zinc/28/11/30/1298281130.db2.gz XTVLAXYLCXSFSM-HOTGVXAUSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192347 1298281138 /nfs/dbraw/zinc/28/11/38/1298281138.db2.gz XTVLAXYLCXSFSM-HOTGVXAUSA-N 2 2 338.455 2.923 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(O)c1 ZINC001276493613 1313513036 /nfs/dbraw/zinc/51/30/36/1313513036.db2.gz JYVCTBOPOVBKRT-UHFFFAOYSA-N 2 2 336.439 2.690 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277046 1298473290 /nfs/dbraw/zinc/47/32/90/1298473290.db2.gz XDMJAAXIDUBHLN-QZTJIDSGSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277046 1298473295 /nfs/dbraw/zinc/47/32/95/1298473295.db2.gz XDMJAAXIDUBHLN-QZTJIDSGSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390684 1298673311 /nfs/dbraw/zinc/67/33/11/1298673311.db2.gz FYQXWIUDZAVSJU-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390684 1298673318 /nfs/dbraw/zinc/67/33/18/1298673318.db2.gz FYQXWIUDZAVSJU-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961434206 1298742500 /nfs/dbraw/zinc/74/25/00/1298742500.db2.gz ZELXXDICSDWMSZ-GOSISDBHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961434206 1298742508 /nfs/dbraw/zinc/74/25/08/1298742508.db2.gz ZELXXDICSDWMSZ-GOSISDBHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207000817 1313586485 /nfs/dbraw/zinc/58/64/85/1313586485.db2.gz LEXPTJVHMNXHKU-BPLDGKMQSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207000817 1313586488 /nfs/dbraw/zinc/58/64/88/1313586488.db2.gz LEXPTJVHMNXHKU-BPLDGKMQSA-N 2 2 338.883 2.586 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC001207110014 1313615002 /nfs/dbraw/zinc/61/50/02/1313615002.db2.gz BGYHEGQPVMMXBH-WOJBJXKFSA-N 2 2 334.467 2.851 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC001207110014 1313615003 /nfs/dbraw/zinc/61/50/03/1313615003.db2.gz BGYHEGQPVMMXBH-WOJBJXKFSA-N 2 2 334.467 2.851 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC001207110014 1313615004 /nfs/dbraw/zinc/61/50/04/1313615004.db2.gz BGYHEGQPVMMXBH-WOJBJXKFSA-N 2 2 334.467 2.851 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC001207110014 1313615005 /nfs/dbraw/zinc/61/50/05/1313615005.db2.gz BGYHEGQPVMMXBH-WOJBJXKFSA-N 2 2 334.467 2.851 20 30 EFEDLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001207103980 1313613117 /nfs/dbraw/zinc/61/31/17/1313613117.db2.gz DYJXMJZSJHPHNX-IYBDPMFKSA-N 2 2 326.469 2.522 20 30 EFEDLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001207103980 1313613120 /nfs/dbraw/zinc/61/31/20/1313613120.db2.gz DYJXMJZSJHPHNX-IYBDPMFKSA-N 2 2 326.469 2.522 20 30 EFEDLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001207103980 1313613124 /nfs/dbraw/zinc/61/31/24/1313613124.db2.gz DYJXMJZSJHPHNX-IYBDPMFKSA-N 2 2 326.469 2.522 20 30 EFEDLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1C#N ZINC001207103980 1313613126 /nfs/dbraw/zinc/61/31/26/1313613126.db2.gz DYJXMJZSJHPHNX-IYBDPMFKSA-N 2 2 326.469 2.522 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c(O)c1 ZINC001237288302 1313618492 /nfs/dbraw/zinc/61/84/92/1313618492.db2.gz DMUOZIRDTJPREL-UHFFFAOYSA-N 2 2 333.435 2.901 20 30 EFEDLP C#C[C@](C)(CC)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000852100476 1299546965 /nfs/dbraw/zinc/54/69/65/1299546965.db2.gz HDYJHFGJFHKVKQ-GOSISDBHSA-N 2 2 348.516 2.705 20 30 EFEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237758143 1313702958 /nfs/dbraw/zinc/70/29/58/1313702958.db2.gz ZXQBJYPAOJDSCQ-UHFFFAOYSA-N 2 2 337.851 2.528 20 30 EFEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237758143 1313702960 /nfs/dbraw/zinc/70/29/60/1313702960.db2.gz ZXQBJYPAOJDSCQ-UHFFFAOYSA-N 2 2 337.851 2.528 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321239 1300594597 /nfs/dbraw/zinc/59/45/97/1300594597.db2.gz CDQRVULOZTXTAL-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321239 1300594605 /nfs/dbraw/zinc/59/46/05/1300594605.db2.gz CDQRVULOZTXTAL-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000963322277 1300597116 /nfs/dbraw/zinc/59/71/16/1300597116.db2.gz GWNZNUZPUAFSSJ-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000963322277 1300597125 /nfs/dbraw/zinc/59/71/25/1300597125.db2.gz GWNZNUZPUAFSSJ-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337312 1300631541 /nfs/dbraw/zinc/63/15/41/1300631541.db2.gz NQGLQJSXSAWPMU-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337312 1300631547 /nfs/dbraw/zinc/63/15/47/1300631547.db2.gz NQGLQJSXSAWPMU-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699536 1300781959 /nfs/dbraw/zinc/78/19/59/1300781959.db2.gz UNAQTOQYJGFIKX-ZJPYXAASSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699536 1300781962 /nfs/dbraw/zinc/78/19/62/1300781962.db2.gz UNAQTOQYJGFIKX-ZJPYXAASSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409972 1300788855 /nfs/dbraw/zinc/78/88/55/1300788855.db2.gz YTPKMXKTWOJCLA-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409972 1300788860 /nfs/dbraw/zinc/78/88/60/1300788860.db2.gz YTPKMXKTWOJCLA-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757961 1313765920 /nfs/dbraw/zinc/76/59/20/1313765920.db2.gz PTCSSRMSDLYZBE-ZHALLVOQSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757961 1313765923 /nfs/dbraw/zinc/76/59/23/1313765923.db2.gz PTCSSRMSDLYZBE-ZHALLVOQSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000963903008 1301454021 /nfs/dbraw/zinc/45/40/21/1301454021.db2.gz USLPRYPIMSDLCP-UYSNPLJNSA-N 2 2 330.476 2.765 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761687 1313767447 /nfs/dbraw/zinc/76/74/47/1313767447.db2.gz MUGJPFKKOCSLDL-FGTMMUONSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761687 1313767449 /nfs/dbraw/zinc/76/74/49/1313767449.db2.gz MUGJPFKKOCSLDL-FGTMMUONSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000964205930 1301696054 /nfs/dbraw/zinc/69/60/54/1301696054.db2.gz AKLFRMPKCKSSJY-UHFFFAOYSA-N 2 2 338.883 2.799 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCCF)C3)cc1C#N ZINC001278205410 1313786577 /nfs/dbraw/zinc/78/65/77/1313786577.db2.gz KWDNGKHLJRMHFD-IBGZPJMESA-N 2 2 332.467 2.934 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCCF)C3)cc1C#N ZINC001278205410 1313786581 /nfs/dbraw/zinc/78/65/81/1313786581.db2.gz KWDNGKHLJRMHFD-IBGZPJMESA-N 2 2 332.467 2.934 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCCF)C3)cc1C#N ZINC001278205410 1313786585 /nfs/dbraw/zinc/78/65/85/1313786585.db2.gz KWDNGKHLJRMHFD-IBGZPJMESA-N 2 2 332.467 2.934 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCCF)C3)cc1C#N ZINC001278205410 1313786589 /nfs/dbraw/zinc/78/65/89/1313786589.db2.gz KWDNGKHLJRMHFD-IBGZPJMESA-N 2 2 332.467 2.934 20 30 EFEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018309940 1313805483 /nfs/dbraw/zinc/80/54/83/1313805483.db2.gz APOYJDITALRVRQ-CEXWTWQISA-N 2 2 327.472 2.541 20 30 EFEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018309940 1313805488 /nfs/dbraw/zinc/80/54/88/1313805488.db2.gz APOYJDITALRVRQ-CEXWTWQISA-N 2 2 327.472 2.541 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050008 1313835157 /nfs/dbraw/zinc/83/51/57/1313835157.db2.gz STHRXQBTFSJRKR-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057718 1313836862 /nfs/dbraw/zinc/83/68/62/1313836862.db2.gz RQWSCGCYUQBOQA-IAGOWNOFSA-N 2 2 334.508 2.760 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057718 1313836866 /nfs/dbraw/zinc/83/68/66/1313836866.db2.gz RQWSCGCYUQBOQA-IAGOWNOFSA-N 2 2 334.508 2.760 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208113866 1313850423 /nfs/dbraw/zinc/85/04/23/1313850423.db2.gz JCYULESQVMGXRP-GDBMZVCRSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208113866 1313850426 /nfs/dbraw/zinc/85/04/26/1313850426.db2.gz JCYULESQVMGXRP-GDBMZVCRSA-N 2 2 341.927 2.688 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103361 1303643477 /nfs/dbraw/zinc/64/34/77/1303643477.db2.gz LEZBTUKVDCQQHW-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103361 1303643484 /nfs/dbraw/zinc/64/34/84/1303643484.db2.gz LEZBTUKVDCQQHW-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439337 1313928619 /nfs/dbraw/zinc/92/86/19/1313928619.db2.gz QSAMIPBPYLEOKN-MSOLQXFVSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001037881483 1304145930 /nfs/dbraw/zinc/14/59/30/1304145930.db2.gz CKRAFPINLUURHG-GDBMZVCRSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114898956 1304193062 /nfs/dbraw/zinc/19/30/62/1304193062.db2.gz JQPUEOKMTMZZDF-VXNCWWDNSA-N 2 2 330.476 2.627 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114898956 1304193067 /nfs/dbraw/zinc/19/30/67/1304193067.db2.gz JQPUEOKMTMZZDF-VXNCWWDNSA-N 2 2 330.476 2.627 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966909048 1304425570 /nfs/dbraw/zinc/42/55/70/1304425570.db2.gz YPXPNWNGXXXOLG-WBVHZDCISA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966909048 1304425578 /nfs/dbraw/zinc/42/55/78/1304425578.db2.gz YPXPNWNGXXXOLG-WBVHZDCISA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916739 1304435590 /nfs/dbraw/zinc/43/55/90/1304435590.db2.gz UCZDQEYZLDRKQD-KDOFPFPSSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916739 1304435593 /nfs/dbraw/zinc/43/55/93/1304435593.db2.gz UCZDQEYZLDRKQD-KDOFPFPSSA-N 2 2 326.444 2.969 20 30 EFEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276576660 1314000920 /nfs/dbraw/zinc/00/09/20/1314000920.db2.gz LAAYOBRLHVAXPS-HXUWFJFHSA-N 2 2 328.456 2.625 20 30 EFEDLP C#CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276576660 1314000924 /nfs/dbraw/zinc/00/09/24/1314000924.db2.gz LAAYOBRLHVAXPS-HXUWFJFHSA-N 2 2 328.456 2.625 20 30 EFEDLP C#CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276576660 1314000928 /nfs/dbraw/zinc/00/09/28/1314000928.db2.gz LAAYOBRLHVAXPS-HXUWFJFHSA-N 2 2 328.456 2.625 20 30 EFEDLP C#CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001276576660 1314000932 /nfs/dbraw/zinc/00/09/32/1314000932.db2.gz LAAYOBRLHVAXPS-HXUWFJFHSA-N 2 2 328.456 2.625 20 30 EFEDLP Cc1cc(N2CC[NH+](CCCc3cccc(C#N)c3)CC2)nc(C)[nH+]1 ZINC001208852365 1314030100 /nfs/dbraw/zinc/03/01/00/1314030100.db2.gz HXMPKMFEMSERFD-UHFFFAOYSA-N 2 2 335.455 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496484 1305077376 /nfs/dbraw/zinc/07/73/76/1305077376.db2.gz LSNBUZOVEZJQLZ-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496484 1305077380 /nfs/dbraw/zinc/07/73/80/1305077380.db2.gz LSNBUZOVEZJQLZ-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP N#Cc1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208858595 1314031533 /nfs/dbraw/zinc/03/15/33/1314031533.db2.gz IRRKPOQLRKARLX-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208858595 1314031536 /nfs/dbraw/zinc/03/15/36/1314031536.db2.gz IRRKPOQLRKARLX-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208858595 1314031538 /nfs/dbraw/zinc/03/15/38/1314031538.db2.gz IRRKPOQLRKARLX-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208858595 1314031541 /nfs/dbraw/zinc/03/15/41/1314031541.db2.gz IRRKPOQLRKARLX-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208860168 1314031720 /nfs/dbraw/zinc/03/17/20/1314031720.db2.gz YVLFALNAXIQBGO-UHFFFAOYSA-N 2 2 349.482 2.799 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1CC ZINC001037958824 1305327263 /nfs/dbraw/zinc/32/72/63/1305327263.db2.gz KUAIKTFABITSML-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496949 1306399958 /nfs/dbraw/zinc/39/99/58/1306399958.db2.gz FURZNEIDSUVVSC-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496949 1306399961 /nfs/dbraw/zinc/39/99/61/1306399961.db2.gz FURZNEIDSUVVSC-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680897 1306563032 /nfs/dbraw/zinc/56/30/32/1306563032.db2.gz DZDVESYYVRUXMU-KSSFIOAISA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680897 1306563035 /nfs/dbraw/zinc/56/30/35/1306563035.db2.gz DZDVESYYVRUXMU-KSSFIOAISA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001044605197 1306651952 /nfs/dbraw/zinc/65/19/52/1306651952.db2.gz NUJZAGGENLARHP-XJKSGUPXSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882310 1306754607 /nfs/dbraw/zinc/75/46/07/1306754607.db2.gz LJBGKCRBCPIQAJ-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882310 1306754618 /nfs/dbraw/zinc/75/46/18/1306754618.db2.gz LJBGKCRBCPIQAJ-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882310 1306754624 /nfs/dbraw/zinc/75/46/24/1306754624.db2.gz LJBGKCRBCPIQAJ-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC000968896475 1306771333 /nfs/dbraw/zinc/77/13/33/1306771333.db2.gz RKBWFBAFANHTAF-OALUTQOASA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC000968896475 1306771335 /nfs/dbraw/zinc/77/13/35/1306771335.db2.gz RKBWFBAFANHTAF-OALUTQOASA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)(C)C ZINC000968896475 1306771339 /nfs/dbraw/zinc/77/13/39/1306771339.db2.gz RKBWFBAFANHTAF-OALUTQOASA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)(C)C ZINC000968896475 1306771343 /nfs/dbraw/zinc/77/13/43/1306771343.db2.gz RKBWFBAFANHTAF-OALUTQOASA-N 2 2 347.547 2.881 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917297 1306792346 /nfs/dbraw/zinc/79/23/46/1306792346.db2.gz SIVWNQITZRLMIK-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917297 1306792349 /nfs/dbraw/zinc/79/23/49/1306792349.db2.gz SIVWNQITZRLMIK-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968926250 1306805590 /nfs/dbraw/zinc/80/55/90/1306805590.db2.gz YEUANHYZNJQJNA-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968926250 1306805592 /nfs/dbraw/zinc/80/55/92/1306805592.db2.gz YEUANHYZNJQJNA-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926082 1306805969 /nfs/dbraw/zinc/80/59/69/1306805969.db2.gz UIIQAPYQDOGVPS-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926082 1306805971 /nfs/dbraw/zinc/80/59/71/1306805971.db2.gz UIIQAPYQDOGVPS-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926246 1306806744 /nfs/dbraw/zinc/80/67/44/1306806744.db2.gz YCHUIRKXYGZAKE-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926246 1306806747 /nfs/dbraw/zinc/80/67/47/1306806747.db2.gz YCHUIRKXYGZAKE-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926246 1306806749 /nfs/dbraw/zinc/80/67/49/1306806749.db2.gz YCHUIRKXYGZAKE-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926246 1306806751 /nfs/dbraw/zinc/80/67/51/1306806751.db2.gz YCHUIRKXYGZAKE-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007519323 1307486828 /nfs/dbraw/zinc/48/68/28/1307486828.db2.gz OJSJUIPYDDTFHT-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007519323 1307486831 /nfs/dbraw/zinc/48/68/31/1307486831.db2.gz OJSJUIPYDDTFHT-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007519323 1307486833 /nfs/dbraw/zinc/48/68/33/1307486833.db2.gz OJSJUIPYDDTFHT-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007519323 1307486838 /nfs/dbraw/zinc/48/68/38/1307486838.db2.gz OJSJUIPYDDTFHT-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008052695 1307787821 /nfs/dbraw/zinc/78/78/21/1307787821.db2.gz MZSCBPPCLNZRTE-KRWDZBQOSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008052695 1307787826 /nfs/dbraw/zinc/78/78/26/1307787826.db2.gz MZSCBPPCLNZRTE-KRWDZBQOSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944915 1307962563 /nfs/dbraw/zinc/96/25/63/1307962563.db2.gz QOGDVXQSXXBTPU-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944915 1307962570 /nfs/dbraw/zinc/96/25/70/1307962570.db2.gz QOGDVXQSXXBTPU-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944915 1307962575 /nfs/dbraw/zinc/96/25/75/1307962575.db2.gz QOGDVXQSXXBTPU-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944915 1307962579 /nfs/dbraw/zinc/96/25/79/1307962579.db2.gz QOGDVXQSXXBTPU-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947954 1307971516 /nfs/dbraw/zinc/97/15/16/1307971516.db2.gz QGSYPOISNIKLLH-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947954 1307971520 /nfs/dbraw/zinc/97/15/20/1307971520.db2.gz QGSYPOISNIKLLH-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948090 1307971915 /nfs/dbraw/zinc/97/19/15/1307971915.db2.gz UYQCMGMKNPTASH-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948090 1307971919 /nfs/dbraw/zinc/97/19/19/1307971919.db2.gz UYQCMGMKNPTASH-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045968817 1308029258 /nfs/dbraw/zinc/02/92/58/1308029258.db2.gz HPXPRWPYSUXJJL-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045968817 1308029262 /nfs/dbraw/zinc/02/92/62/1308029262.db2.gz HPXPRWPYSUXJJL-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973037 1308042574 /nfs/dbraw/zinc/04/25/74/1308042574.db2.gz KVZBGHBNBAOXSL-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973037 1308042582 /nfs/dbraw/zinc/04/25/82/1308042582.db2.gz KVZBGHBNBAOXSL-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973037 1308042586 /nfs/dbraw/zinc/04/25/86/1308042586.db2.gz KVZBGHBNBAOXSL-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973037 1308042591 /nfs/dbraw/zinc/04/25/91/1308042591.db2.gz KVZBGHBNBAOXSL-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979613 1308062413 /nfs/dbraw/zinc/06/24/13/1308062413.db2.gz IMBBCIYRSRVKEO-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979613 1308062421 /nfs/dbraw/zinc/06/24/21/1308062421.db2.gz IMBBCIYRSRVKEO-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008878982 1308309774 /nfs/dbraw/zinc/30/97/74/1308309774.db2.gz BFKLWZIQYNESDY-KRWDZBQOSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008878982 1308309778 /nfs/dbraw/zinc/30/97/78/1308309778.db2.gz BFKLWZIQYNESDY-KRWDZBQOSA-N 2 2 335.879 2.695 20 30 EFEDLP C[NH+]1CCN(c2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2C#N)CC1 ZINC001209847435 1314248591 /nfs/dbraw/zinc/24/85/91/1314248591.db2.gz QANFHEJGBOFALT-UHFFFAOYSA-N 2 2 332.411 2.930 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314921 1308529266 /nfs/dbraw/zinc/52/92/66/1308529266.db2.gz PJHGRJGLSCDOHK-LJQANCHMSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314921 1308529269 /nfs/dbraw/zinc/52/92/69/1308529269.db2.gz PJHGRJGLSCDOHK-LJQANCHMSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314920 1308529419 /nfs/dbraw/zinc/52/94/19/1308529419.db2.gz PJHGRJGLSCDOHK-IBGZPJMESA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314920 1308529422 /nfs/dbraw/zinc/52/94/22/1308529422.db2.gz PJHGRJGLSCDOHK-IBGZPJMESA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707877 1309147918 /nfs/dbraw/zinc/14/79/18/1309147918.db2.gz YVIVLTHQAZRJLP-SFHVURJKSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707877 1309147925 /nfs/dbraw/zinc/14/79/25/1309147925.db2.gz YVIVLTHQAZRJLP-SFHVURJKSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243732 1314300727 /nfs/dbraw/zinc/30/07/27/1314300727.db2.gz OUXVRWJOYMRULW-OLMNPRSZSA-N 2 2 349.906 2.868 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243732 1314300731 /nfs/dbraw/zinc/30/07/31/1314300731.db2.gz OUXVRWJOYMRULW-OLMNPRSZSA-N 2 2 349.906 2.868 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243732 1314300733 /nfs/dbraw/zinc/30/07/33/1314300733.db2.gz OUXVRWJOYMRULW-OLMNPRSZSA-N 2 2 349.906 2.868 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243732 1314300736 /nfs/dbraw/zinc/30/07/36/1314300736.db2.gz OUXVRWJOYMRULW-OLMNPRSZSA-N 2 2 349.906 2.868 20 30 EFEDLP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001046958169 1309768740 /nfs/dbraw/zinc/76/87/40/1309768740.db2.gz VUSNJBSCXOTXJZ-CQSZACIVSA-N 2 2 348.397 2.597 20 30 EFEDLP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001046958169 1309768746 /nfs/dbraw/zinc/76/87/46/1309768746.db2.gz VUSNJBSCXOTXJZ-CQSZACIVSA-N 2 2 348.397 2.597 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717260 1314376846 /nfs/dbraw/zinc/37/68/46/1314376846.db2.gz DKDRCXGHXBKDQF-SJLPKXTDSA-N 2 2 334.508 2.760 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717260 1314376850 /nfs/dbraw/zinc/37/68/50/1314376850.db2.gz DKDRCXGHXBKDQF-SJLPKXTDSA-N 2 2 334.508 2.760 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001047241757 1310393409 /nfs/dbraw/zinc/39/34/09/1310393409.db2.gz UHHYAUDMXCTISZ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001047261961 1310445641 /nfs/dbraw/zinc/44/56/41/1310445641.db2.gz KOPKCEOUHWXDSY-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001047265472 1310458338 /nfs/dbraw/zinc/45/83/38/1310458338.db2.gz SCOYWDBOWMPBBA-GOSISDBHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722756 1311019323 /nfs/dbraw/zinc/01/93/23/1311019323.db2.gz BFUMVAJHFGDWNJ-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722756 1311019327 /nfs/dbraw/zinc/01/93/27/1311019327.db2.gz BFUMVAJHFGDWNJ-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598305 1311253181 /nfs/dbraw/zinc/25/31/81/1311253181.db2.gz FKINHNBRPTUWTB-UHFFFAOYSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031145 1311273647 /nfs/dbraw/zinc/27/36/47/1311273647.db2.gz UKGBMYGXBJTCIB-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031145 1311273651 /nfs/dbraw/zinc/27/36/51/1311273651.db2.gz UKGBMYGXBJTCIB-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031145 1311273652 /nfs/dbraw/zinc/27/36/52/1311273652.db2.gz UKGBMYGXBJTCIB-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031145 1311273657 /nfs/dbraw/zinc/27/36/57/1311273657.db2.gz UKGBMYGXBJTCIB-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572578 1311276843 /nfs/dbraw/zinc/27/68/43/1311276843.db2.gz NDJHFUVYYANQQL-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572578 1311276844 /nfs/dbraw/zinc/27/68/44/1311276844.db2.gz NDJHFUVYYANQQL-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223578429 1311277887 /nfs/dbraw/zinc/27/78/87/1311277887.db2.gz XJAMIBBWUYUNKV-UHFFFAOYSA-N 2 2 332.492 2.721 20 30 EFEDLP N#Cc1cccc(N2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001276953122 1311356258 /nfs/dbraw/zinc/35/62/58/1311356258.db2.gz FYEPVBZTSBFVMO-KDURUIRLSA-N 2 2 335.455 2.603 20 30 EFEDLP N#Cc1cccc(N2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001276953122 1311356261 /nfs/dbraw/zinc/35/62/61/1311356261.db2.gz FYEPVBZTSBFVMO-KDURUIRLSA-N 2 2 335.455 2.603 20 30 EFEDLP C#CCCC[NH+]1CCC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC001276973339 1311393656 /nfs/dbraw/zinc/39/36/56/1311393656.db2.gz NBDRLPLQLLXJFM-MRXNPFEDSA-N 2 2 336.439 2.788 20 30 EFEDLP C[NH+](C)Cc1ncccc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225279573 1311500020 /nfs/dbraw/zinc/50/00/20/1311500020.db2.gz YOHOSEQUGCSOOF-GOSISDBHSA-N 2 2 336.439 2.668 20 30 EFEDLP C[NH+](C)Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225279573 1311500023 /nfs/dbraw/zinc/50/00/23/1311500023.db2.gz YOHOSEQUGCSOOF-GOSISDBHSA-N 2 2 336.439 2.668 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226348065 1311653441 /nfs/dbraw/zinc/65/34/41/1311653441.db2.gz IUFBQTRXAPBXNT-QZTJIDSGSA-N 2 2 344.503 2.745 20 30 EFEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203194021 1311659093 /nfs/dbraw/zinc/65/90/93/1311659093.db2.gz YIKIPSBENICTPZ-DLBZAZTESA-N 2 2 325.456 2.661 20 30 EFEDLP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423342 1311706904 /nfs/dbraw/zinc/70/69/04/1311706904.db2.gz PJIKWDJIJRPDEV-LJQANCHMSA-N 2 2 342.487 2.632 20 30 EFEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423342 1311706908 /nfs/dbraw/zinc/70/69/08/1311706908.db2.gz PJIKWDJIJRPDEV-LJQANCHMSA-N 2 2 342.487 2.632 20 30 EFEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523844 1311728097 /nfs/dbraw/zinc/72/80/97/1311728097.db2.gz NHXMCMBJARDERJ-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523844 1311728098 /nfs/dbraw/zinc/72/80/98/1311728098.db2.gz NHXMCMBJARDERJ-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523844 1311728099 /nfs/dbraw/zinc/72/80/99/1311728099.db2.gz NHXMCMBJARDERJ-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523844 1311728100 /nfs/dbraw/zinc/72/81/00/1311728100.db2.gz NHXMCMBJARDERJ-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001227028593 1311753999 /nfs/dbraw/zinc/75/39/99/1311753999.db2.gz JBWRAOKHUMDTIG-IAGOWNOFSA-N 2 2 331.460 2.616 20 30 EFEDLP N#Cc1c[nH]c2cc[nH+]c(NC3CC[NH+](Cc4ccncc4)CC3)c12 ZINC001161106469 1311858404 /nfs/dbraw/zinc/85/84/04/1311858404.db2.gz ZAHLRQMTKGDIAV-UHFFFAOYSA-N 2 2 332.411 2.906 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001227947052 1311877573 /nfs/dbraw/zinc/87/75/73/1311877573.db2.gz KNSNDLAHWGLBDY-MRXNPFEDSA-N 2 2 332.492 2.862 20 30 EFEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001228033442 1311891138 /nfs/dbraw/zinc/89/11/38/1311891138.db2.gz XVEYALTTYVJORX-QGZVFWFLSA-N 2 2 346.519 2.997 20 30 EFEDLP N#Cc1c(Cl)c2ccccc2nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161870324 1311991631 /nfs/dbraw/zinc/99/16/31/1311991631.db2.gz HICMUSGOWCPLLH-UHFFFAOYSA-N 2 2 329.835 2.595 20 30 EFEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989489 1312023316 /nfs/dbraw/zinc/02/33/16/1312023316.db2.gz IYBMOLSOZWMVDY-UHFFFAOYSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989489 1312023318 /nfs/dbraw/zinc/02/33/18/1312023318.db2.gz IYBMOLSOZWMVDY-UHFFFAOYSA-N 2 2 330.476 2.768 20 30 EFEDLP CCCCCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161994227 1312024715 /nfs/dbraw/zinc/02/47/15/1312024715.db2.gz VHYMJZGUWYHPSO-UHFFFAOYSA-N 2 2 332.492 2.992 20 30 EFEDLP CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161994227 1312024717 /nfs/dbraw/zinc/02/47/17/1312024717.db2.gz VHYMJZGUWYHPSO-UHFFFAOYSA-N 2 2 332.492 2.992 20 30 EFEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001229465026 1312101235 /nfs/dbraw/zinc/10/12/35/1312101235.db2.gz FQFAMBBQUAFSRT-RTBURBONSA-N 2 2 336.439 2.526 20 30 EFEDLP Cc1nc(O[C@@H]2CC[N@@H+](C)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766441 1312135716 /nfs/dbraw/zinc/13/57/16/1312135716.db2.gz NYOAMWRYDNQIJP-MRXNPFEDSA-N 2 2 333.395 2.659 20 30 EFEDLP Cc1nc(O[C@@H]2CC[N@H+](C)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766441 1312135718 /nfs/dbraw/zinc/13/57/18/1312135718.db2.gz NYOAMWRYDNQIJP-MRXNPFEDSA-N 2 2 333.395 2.659 20 30 EFEDLP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001162946953 1312208931 /nfs/dbraw/zinc/20/89/31/1312208931.db2.gz URWVFIWQUYJSEB-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001230243346 1312209790 /nfs/dbraw/zinc/20/97/90/1312209790.db2.gz PPFIPKVQFDMXQA-IAGOWNOFSA-N 2 2 347.528 2.699 20 30 EFEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001230243346 1312209793 /nfs/dbraw/zinc/20/97/93/1312209793.db2.gz PPFIPKVQFDMXQA-IAGOWNOFSA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230367088 1312230473 /nfs/dbraw/zinc/23/04/73/1312230473.db2.gz QILSKBGXGRIGFJ-QGZVFWFLSA-N 2 2 335.879 2.622 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230627704 1312289416 /nfs/dbraw/zinc/28/94/16/1312289416.db2.gz DYRULFXKGRTAPD-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230627704 1312289419 /nfs/dbraw/zinc/28/94/19/1312289419.db2.gz DYRULFXKGRTAPD-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628613 1312289678 /nfs/dbraw/zinc/28/96/78/1312289678.db2.gz KFAFXDNLQNMZLK-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628613 1312289681 /nfs/dbraw/zinc/28/96/81/1312289681.db2.gz KFAFXDNLQNMZLK-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP Cc1[nH+]ccn1CCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001163920323 1312408093 /nfs/dbraw/zinc/40/80/93/1312408093.db2.gz WFPLYYJRNDUOKK-GWZGDKMZSA-N 2 2 347.488 2.888 20 30 EFEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC(C[NH3+])(c4ccccc4)CC3)c12 ZINC001164439975 1312513457 /nfs/dbraw/zinc/51/34/57/1312513457.db2.gz WOJJGSNOBRDIJY-UHFFFAOYSA-N 2 2 331.423 2.931 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052951436 1314510620 /nfs/dbraw/zinc/51/06/20/1314510620.db2.gz JPJVYCKUIPPSAM-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052951436 1314510624 /nfs/dbraw/zinc/51/06/24/1314510624.db2.gz JPJVYCKUIPPSAM-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001052951436 1314510629 /nfs/dbraw/zinc/51/06/29/1314510629.db2.gz JPJVYCKUIPPSAM-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001052951436 1314510633 /nfs/dbraw/zinc/51/06/33/1314510633.db2.gz JPJVYCKUIPPSAM-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001245976780 1314558144 /nfs/dbraw/zinc/55/81/44/1314558144.db2.gz FPVIEOXNZUNJLX-CADBVGFASA-N 2 2 326.525 2.987 20 30 EFEDLP C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246017860 1314566428 /nfs/dbraw/zinc/56/64/28/1314566428.db2.gz DAWOVVGOSFMZGI-RTBURBONSA-N 2 2 348.487 2.950 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246017195 1314566882 /nfs/dbraw/zinc/56/68/82/1314566882.db2.gz WVBHMADJPBTQNR-OALUTQOASA-N 2 2 327.557 2.809 20 30 EFEDLP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246218082 1314598599 /nfs/dbraw/zinc/59/85/99/1314598599.db2.gz ZVMLYNZHSKOHRR-OALUTQOASA-N 2 2 342.483 2.839 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029344 1314602018 /nfs/dbraw/zinc/60/20/18/1314602018.db2.gz QHWJXQLDPZVLOB-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029344 1314602022 /nfs/dbraw/zinc/60/20/22/1314602022.db2.gz QHWJXQLDPZVLOB-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029344 1314602025 /nfs/dbraw/zinc/60/20/25/1314602025.db2.gz QHWJXQLDPZVLOB-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029344 1314602030 /nfs/dbraw/zinc/60/20/30/1314602030.db2.gz QHWJXQLDPZVLOB-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044810 1314627753 /nfs/dbraw/zinc/62/77/53/1314627753.db2.gz SEPTWXBXEUNBGX-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044810 1314627755 /nfs/dbraw/zinc/62/77/55/1314627755.db2.gz SEPTWXBXEUNBGX-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044811 1314628038 /nfs/dbraw/zinc/62/80/38/1314628038.db2.gz SEPTWXBXEUNBGX-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044811 1314628042 /nfs/dbraw/zinc/62/80/42/1314628042.db2.gz SEPTWXBXEUNBGX-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246461967 1314631581 /nfs/dbraw/zinc/63/15/81/1314631581.db2.gz LZXRCGBHYQAZEO-OAGGEKHMSA-N 2 2 327.538 2.588 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052530 1314641680 /nfs/dbraw/zinc/64/16/80/1314641680.db2.gz VORCXSTXTGOXOP-SJORKVTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052530 1314641684 /nfs/dbraw/zinc/64/16/84/1314641684.db2.gz VORCXSTXTGOXOP-SJORKVTESA-N 2 2 344.503 2.824 20 30 EFEDLP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246529363 1314643245 /nfs/dbraw/zinc/64/32/45/1314643245.db2.gz KLXQTTQLPQBXOC-OALUTQOASA-N 2 2 326.488 2.991 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086894 1314691266 /nfs/dbraw/zinc/69/12/66/1314691266.db2.gz GICFAKSQLURYCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086894 1314691270 /nfs/dbraw/zinc/69/12/70/1314691270.db2.gz GICFAKSQLURYCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086894 1314691275 /nfs/dbraw/zinc/69/12/75/1314691275.db2.gz GICFAKSQLURYCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086894 1314691279 /nfs/dbraw/zinc/69/12/79/1314691279.db2.gz GICFAKSQLURYCJ-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246865281 1314699688 /nfs/dbraw/zinc/69/96/88/1314699688.db2.gz SVOCTBOBRRYKMF-APWZRJJASA-N 2 2 344.478 2.986 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093646 1314704358 /nfs/dbraw/zinc/70/43/58/1314704358.db2.gz PDERYBMCFAPQNJ-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093646 1314704365 /nfs/dbraw/zinc/70/43/65/1314704365.db2.gz PDERYBMCFAPQNJ-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246894025 1314705155 /nfs/dbraw/zinc/70/51/55/1314705155.db2.gz ZNVXCSYOMPHONQ-UYAOXDASSA-N 2 2 326.488 2.991 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098369 1314712179 /nfs/dbraw/zinc/71/21/79/1314712179.db2.gz MWPLYZIXIMBQOX-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098369 1314712183 /nfs/dbraw/zinc/71/21/83/1314712183.db2.gz MWPLYZIXIMBQOX-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001053106674 1314730090 /nfs/dbraw/zinc/73/00/90/1314730090.db2.gz VPZBYUYFZHJAID-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001053106674 1314730093 /nfs/dbraw/zinc/73/00/93/1314730093.db2.gz VPZBYUYFZHJAID-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112624 1314734635 /nfs/dbraw/zinc/73/46/35/1314734635.db2.gz RRLNCFQBLSGRMF-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112624 1314734638 /nfs/dbraw/zinc/73/46/38/1314734638.db2.gz RRLNCFQBLSGRMF-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000303768725 1314735370 /nfs/dbraw/zinc/73/53/70/1314735370.db2.gz APIKXXOCAXLDNB-GOSISDBHSA-N 2 2 332.492 2.859 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894841 1314754220 /nfs/dbraw/zinc/75/42/20/1314754220.db2.gz UHLIXAPGWLEYKJ-YFHUEUNASA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894841 1314754223 /nfs/dbraw/zinc/75/42/23/1314754223.db2.gz UHLIXAPGWLEYKJ-YFHUEUNASA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214913522 1314756870 /nfs/dbraw/zinc/75/68/70/1314756870.db2.gz BEDQYWMUVPLICX-FVQBIDKESA-N 2 2 338.883 2.659 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964931 1314763446 /nfs/dbraw/zinc/76/34/46/1314763446.db2.gz ZAIYNHMFSBFVMK-HBUWYVDXSA-N 2 2 326.444 2.968 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215003995 1314768011 /nfs/dbraw/zinc/76/80/11/1314768011.db2.gz OZXSMDRHLABXIO-FGTMMUONSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215006408 1314768730 /nfs/dbraw/zinc/76/87/30/1314768730.db2.gz VVDCVGQHAOAHFF-FGTMMUONSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215006409 1314768836 /nfs/dbraw/zinc/76/88/36/1314768836.db2.gz VVDCVGQHAOAHFF-KZNAEPCWSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001215585804 1314853711 /nfs/dbraw/zinc/85/37/11/1314853711.db2.gz OYYWEPPGZKOERV-BRSBDYLESA-N 2 2 344.503 2.707 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855648 1314886409 /nfs/dbraw/zinc/88/64/09/1314886409.db2.gz UZYRCNFLJZTPOH-LZLYRXPVSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855648 1314886414 /nfs/dbraw/zinc/88/64/14/1314886414.db2.gz UZYRCNFLJZTPOH-LZLYRXPVSA-N 2 2 334.508 2.995 20 30 EFEDLP C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(OCC#N)cc4)[nH+]c3c2)CC1 ZINC001250643220 1315235497 /nfs/dbraw/zinc/23/54/97/1315235497.db2.gz UNQUQQCVDANWEF-UHFFFAOYSA-N 2 2 347.422 2.884 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144569 1315362905 /nfs/dbraw/zinc/36/29/05/1315362905.db2.gz WZGWMIKEGQQDIK-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144569 1315362910 /nfs/dbraw/zinc/36/29/10/1315362910.db2.gz WZGWMIKEGQQDIK-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144569 1315362915 /nfs/dbraw/zinc/36/29/15/1315362915.db2.gz WZGWMIKEGQQDIK-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144569 1315362919 /nfs/dbraw/zinc/36/29/19/1315362919.db2.gz WZGWMIKEGQQDIK-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154399 1315379990 /nfs/dbraw/zinc/37/99/90/1315379990.db2.gz UHVCSKWRSYUVJH-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154399 1315379992 /nfs/dbraw/zinc/37/99/92/1315379992.db2.gz UHVCSKWRSYUVJH-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054213077 1315466115 /nfs/dbraw/zinc/46/61/15/1315466115.db2.gz TZXJVEMWHCTMNE-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054213077 1315466119 /nfs/dbraw/zinc/46/61/19/1315466119.db2.gz TZXJVEMWHCTMNE-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054213077 1315466122 /nfs/dbraw/zinc/46/61/22/1315466122.db2.gz TZXJVEMWHCTMNE-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054213077 1315466126 /nfs/dbraw/zinc/46/61/26/1315466126.db2.gz TZXJVEMWHCTMNE-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235174 1315499618 /nfs/dbraw/zinc/49/96/18/1315499618.db2.gz PEHQFXLGYQSGNZ-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235174 1315499623 /nfs/dbraw/zinc/49/96/23/1315499623.db2.gz PEHQFXLGYQSGNZ-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001039141993 1315531799 /nfs/dbraw/zinc/53/17/99/1315531799.db2.gz FFPZZFKKRNHASX-GOSISDBHSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001039141993 1315531802 /nfs/dbraw/zinc/53/18/02/1315531802.db2.gz FFPZZFKKRNHASX-GOSISDBHSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039141613 1315532058 /nfs/dbraw/zinc/53/20/58/1315532058.db2.gz GCCFSAUPIAPIIE-QGZVFWFLSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039141613 1315532064 /nfs/dbraw/zinc/53/20/64/1315532064.db2.gz GCCFSAUPIAPIIE-QGZVFWFLSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001221553184 1315550400 /nfs/dbraw/zinc/55/04/00/1315550400.db2.gz WDNDZQAFQSKDSQ-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001221553184 1315550402 /nfs/dbraw/zinc/55/04/02/1315550402.db2.gz WDNDZQAFQSKDSQ-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159901 1315556099 /nfs/dbraw/zinc/55/60/99/1315556099.db2.gz AZLWUCBCVBEMPL-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159901 1315556103 /nfs/dbraw/zinc/55/61/03/1315556103.db2.gz AZLWUCBCVBEMPL-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159901 1315556107 /nfs/dbraw/zinc/55/61/07/1315556107.db2.gz AZLWUCBCVBEMPL-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159901 1315556110 /nfs/dbraw/zinc/55/61/10/1315556110.db2.gz AZLWUCBCVBEMPL-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161901 1315560080 /nfs/dbraw/zinc/56/00/80/1315560080.db2.gz PXFZADMQJUMSAS-IEBWSBKVSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161901 1315560086 /nfs/dbraw/zinc/56/00/86/1315560086.db2.gz PXFZADMQJUMSAS-IEBWSBKVSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001253598192 1315617318 /nfs/dbraw/zinc/61/73/18/1315617318.db2.gz PVFHWCMQIBUUQJ-INIZCTEOSA-N 2 2 328.378 2.806 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222302 1315642227 /nfs/dbraw/zinc/64/22/27/1315642227.db2.gz DTKNLUDSXGOWOC-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222302 1315642230 /nfs/dbraw/zinc/64/22/30/1315642230.db2.gz DTKNLUDSXGOWOC-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224603 1315644748 /nfs/dbraw/zinc/64/47/48/1315644748.db2.gz HBXLNPCFLPGJOM-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224603 1315644750 /nfs/dbraw/zinc/64/47/50/1315644750.db2.gz HBXLNPCFLPGJOM-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228820 1315651805 /nfs/dbraw/zinc/65/18/05/1315651805.db2.gz KPXMPIBRHUNKFS-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228820 1315651808 /nfs/dbraw/zinc/65/18/08/1315651808.db2.gz KPXMPIBRHUNKFS-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001039279127 1315699048 /nfs/dbraw/zinc/69/90/48/1315699048.db2.gz HZLGAJHXICMTQF-CSNJMZFVSA-N 2 2 342.487 2.523 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039280756 1315700013 /nfs/dbraw/zinc/70/00/13/1315700013.db2.gz FOSPAHAJHIALCT-SLUKUZTOSA-N 2 2 328.460 2.591 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039280756 1315700018 /nfs/dbraw/zinc/70/00/18/1315700018.db2.gz FOSPAHAJHIALCT-SLUKUZTOSA-N 2 2 328.460 2.591 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001039298657 1315707399 /nfs/dbraw/zinc/70/73/99/1315707399.db2.gz BKBKIQFMKXTMFB-WTXIUTQJSA-N 2 2 328.460 2.517 20 30 EFEDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC3)cn1 ZINC001254663323 1315737262 /nfs/dbraw/zinc/73/72/62/1315737262.db2.gz PRTBGLPBGXWTDZ-FUHWJXTLSA-N 2 2 327.476 2.543 20 30 EFEDLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC3)cn1 ZINC001254663323 1315737263 /nfs/dbraw/zinc/73/72/63/1315737263.db2.gz PRTBGLPBGXWTDZ-FUHWJXTLSA-N 2 2 327.476 2.543 20 30 EFEDLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC001254677294 1315740026 /nfs/dbraw/zinc/74/00/26/1315740026.db2.gz SAWMLCDBLLHYRW-BEFAXECRSA-N 2 2 341.455 2.719 20 30 EFEDLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC001254677298 1315740053 /nfs/dbraw/zinc/74/00/53/1315740053.db2.gz SAWMLCDBLLHYRW-HNAYVOBHSA-N 2 2 341.455 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001039449082 1315798966 /nfs/dbraw/zinc/79/89/66/1315798966.db2.gz GJOUJQTXFOXLSC-NXHRZFHOSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001039449082 1315798969 /nfs/dbraw/zinc/79/89/69/1315798969.db2.gz GJOUJQTXFOXLSC-NXHRZFHOSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001039449082 1315798972 /nfs/dbraw/zinc/79/89/72/1315798972.db2.gz GJOUJQTXFOXLSC-NXHRZFHOSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001039449082 1315798974 /nfs/dbraw/zinc/79/89/74/1315798974.db2.gz GJOUJQTXFOXLSC-NXHRZFHOSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001039473860 1315816738 /nfs/dbraw/zinc/81/67/38/1315816738.db2.gz FXXOKPCJQULEJR-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039473860 1315816740 /nfs/dbraw/zinc/81/67/40/1315816740.db2.gz FXXOKPCJQULEJR-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473860 1315816744 /nfs/dbraw/zinc/81/67/44/1315816744.db2.gz FXXOKPCJQULEJR-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473860 1315816747 /nfs/dbraw/zinc/81/67/47/1315816747.db2.gz FXXOKPCJQULEJR-IXDOHACOSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378591 1315939597 /nfs/dbraw/zinc/93/95/97/1315939597.db2.gz JJBUPSMELMZIIN-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378591 1315939599 /nfs/dbraw/zinc/93/95/99/1315939599.db2.gz JJBUPSMELMZIIN-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256539847 1315953890 /nfs/dbraw/zinc/95/38/90/1315953890.db2.gz YKGCOASBIGEQKM-ONIAQPFYSA-N 2 2 333.476 2.549 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256539847 1315953892 /nfs/dbraw/zinc/95/38/92/1315953892.db2.gz YKGCOASBIGEQKM-ONIAQPFYSA-N 2 2 333.476 2.549 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260425 1316170624 /nfs/dbraw/zinc/17/06/24/1316170624.db2.gz DYMBBRVQPSNVHJ-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260425 1316170626 /nfs/dbraw/zinc/17/06/26/1316170626.db2.gz DYMBBRVQPSNVHJ-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264740 1316173681 /nfs/dbraw/zinc/17/36/81/1316173681.db2.gz QWETZEFYGTVOBN-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387356 1316236108 /nfs/dbraw/zinc/23/61/08/1316236108.db2.gz JAGOQVCVRNGEGI-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387356 1316236110 /nfs/dbraw/zinc/23/61/10/1316236110.db2.gz JAGOQVCVRNGEGI-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443861 1316269117 /nfs/dbraw/zinc/26/91/17/1316269117.db2.gz NFGLHTZIEBHWGF-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443861 1316269120 /nfs/dbraw/zinc/26/91/20/1316269120.db2.gz NFGLHTZIEBHWGF-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443861 1316269121 /nfs/dbraw/zinc/26/91/21/1316269121.db2.gz NFGLHTZIEBHWGF-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443861 1316269122 /nfs/dbraw/zinc/26/91/22/1316269122.db2.gz NFGLHTZIEBHWGF-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001040724706 1316360738 /nfs/dbraw/zinc/36/07/38/1316360738.db2.gz UXWLLCDTMDVNSR-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001040724706 1316360741 /nfs/dbraw/zinc/36/07/41/1316360741.db2.gz UXWLLCDTMDVNSR-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001040845292 1316387841 /nfs/dbraw/zinc/38/78/41/1316387841.db2.gz HDVCBVJZPHCEHR-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041288519 1316504489 /nfs/dbraw/zinc/50/44/89/1316504489.db2.gz XMDJZWKXDUNRMS-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041288519 1316504492 /nfs/dbraw/zinc/50/44/92/1316504492.db2.gz XMDJZWKXDUNRMS-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001263341431 1316534203 /nfs/dbraw/zinc/53/42/03/1316534203.db2.gz NRGQEJCNEQXIAP-SJORKVTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001263341431 1316534206 /nfs/dbraw/zinc/53/42/06/1316534206.db2.gz NRGQEJCNEQXIAP-SJORKVTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001263341431 1316534210 /nfs/dbraw/zinc/53/42/10/1316534210.db2.gz NRGQEJCNEQXIAP-SJORKVTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001263341431 1316534211 /nfs/dbraw/zinc/53/42/11/1316534211.db2.gz NRGQEJCNEQXIAP-SJORKVTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041398405 1316539476 /nfs/dbraw/zinc/53/94/76/1316539476.db2.gz ILQFNYQTLZFIFJ-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041398405 1316539479 /nfs/dbraw/zinc/53/94/79/1316539479.db2.gz ILQFNYQTLZFIFJ-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C#CC[NH+]1CCC(OC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001263621180 1316552027 /nfs/dbraw/zinc/55/20/27/1316552027.db2.gz SHHRQQMIQOQDNP-IBGZPJMESA-N 2 2 328.456 2.710 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446582 1316553505 /nfs/dbraw/zinc/55/35/05/1316553505.db2.gz UWOFQOFJXNLXTR-GOSISDBHSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446582 1316553506 /nfs/dbraw/zinc/55/35/06/1316553506.db2.gz UWOFQOFJXNLXTR-GOSISDBHSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115549 1316888882 /nfs/dbraw/zinc/88/88/82/1316888882.db2.gz YEAAFJBTLSTQQW-ZWKOTPCHSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115549 1316888884 /nfs/dbraw/zinc/88/88/84/1316888884.db2.gz YEAAFJBTLSTQQW-ZWKOTPCHSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042296379 1317106512 /nfs/dbraw/zinc/10/65/12/1317106512.db2.gz AFQTYOLHUGIRQO-VQIMIIECSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042296379 1317106514 /nfs/dbraw/zinc/10/65/14/1317106514.db2.gz AFQTYOLHUGIRQO-VQIMIIECSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042315024 1317138320 /nfs/dbraw/zinc/13/83/20/1317138320.db2.gz YRAVAEOOMNNAEN-HOTGVXAUSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042315024 1317138324 /nfs/dbraw/zinc/13/83/24/1317138324.db2.gz YRAVAEOOMNNAEN-HOTGVXAUSA-N 2 2 330.476 2.576 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001279146021 1317198693 /nfs/dbraw/zinc/19/86/93/1317198693.db2.gz YCZGWLCZDLBNQQ-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001279146021 1317198695 /nfs/dbraw/zinc/19/86/95/1317198695.db2.gz YCZGWLCZDLBNQQ-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001279146021 1317198698 /nfs/dbraw/zinc/19/86/98/1317198698.db2.gz YCZGWLCZDLBNQQ-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)cc1 ZINC001279146021 1317198701 /nfs/dbraw/zinc/19/87/01/1317198701.db2.gz YCZGWLCZDLBNQQ-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccccc2C#N)CC3)n(C)n1 ZINC001279233767 1317215081 /nfs/dbraw/zinc/21/50/81/1317215081.db2.gz UGBWQUZCOKXUOB-UHFFFAOYSA-N 2 2 349.482 2.698 20 30 EFEDLP N#CCc1ccccc1C[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001279376326 1317249828 /nfs/dbraw/zinc/24/98/28/1317249828.db2.gz UJJWRPTWGMBADP-UHFFFAOYSA-N 2 2 349.482 2.547 20 30 EFEDLP N#CCc1ccccc1C[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001279376326 1317249836 /nfs/dbraw/zinc/24/98/36/1317249836.db2.gz UJJWRPTWGMBADP-UHFFFAOYSA-N 2 2 349.482 2.547 20 30 EFEDLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001283632148 1319907828 /nfs/dbraw/zinc/90/78/28/1319907828.db2.gz NKBYEPXDMOBARN-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccccc1C#N ZINC001317401990 1327955858 /nfs/dbraw/zinc/95/58/58/1327955858.db2.gz ZXQSOBLLFJMTLI-OAHLLOKOSA-N 2 2 347.422 2.504 20 30 EFEDLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccccc1C#N ZINC001317401989 1327956125 /nfs/dbraw/zinc/95/61/25/1327956125.db2.gz ZXQSOBLLFJMTLI-HNNXBMFYSA-N 2 2 347.422 2.504 20 30 EFEDLP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC001329133305 1330672025 /nfs/dbraw/zinc/67/20/25/1330672025.db2.gz BYDUPEXSOCFZHB-MRXNPFEDSA-N 2 2 328.460 2.597 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001340094414 1332139105 /nfs/dbraw/zinc/13/91/05/1332139105.db2.gz RHCPKCTYMWSGAF-GOSISDBHSA-N 2 2 344.503 2.830 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001340248504 1332161267 /nfs/dbraw/zinc/16/12/67/1332161267.db2.gz JCZNGQSDKVSTCC-LJQANCHMSA-N 2 2 344.503 2.521 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CC[NH+]1CCCCC1 ZINC001340264346 1332164153 /nfs/dbraw/zinc/16/41/53/1332164153.db2.gz OPIIJWHAABFENV-QGZVFWFLSA-N 2 2 346.523 2.543 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CC[NH+]1CCCCC1 ZINC001340264346 1332164155 /nfs/dbraw/zinc/16/41/55/1332164155.db2.gz OPIIJWHAABFENV-QGZVFWFLSA-N 2 2 346.523 2.543 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001341697071 1332277624 /nfs/dbraw/zinc/27/76/24/1332277624.db2.gz NNXNGQQCYWKKCN-QAPCUYQASA-N 2 2 331.460 2.702 20 30 EFEDLP C=C(C)C[NH+]1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001002002135 1333897937 /nfs/dbraw/zinc/89/79/37/1333897937.db2.gz WUERBPANMXSXNO-UHFFFAOYSA-N 2 2 338.455 2.890 20 30 EFEDLP CCCCCCC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528820 1334217374 /nfs/dbraw/zinc/21/73/74/1334217374.db2.gz UHGDEJVBTHEXMM-UHFFFAOYSA-N 2 2 334.508 2.808 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001200658660 1334287835 /nfs/dbraw/zinc/28/78/35/1334287835.db2.gz SWEJENLMVGYPBP-INIZCTEOSA-N 2 2 344.503 2.697 20 30 EFEDLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC001371295159 1340479949 /nfs/dbraw/zinc/47/99/49/1340479949.db2.gz NDRZEWGVQWWSHM-OAHLLOKOSA-N 2 2 336.439 2.787 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001375082797 1342391926 /nfs/dbraw/zinc/39/19/26/1342391926.db2.gz SWOVJYZKPDCRBJ-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001375082797 1342391935 /nfs/dbraw/zinc/39/19/35/1342391935.db2.gz SWOVJYZKPDCRBJ-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001375240832 1342544327 /nfs/dbraw/zinc/54/43/27/1342544327.db2.gz CNUPCZMWCSGBEL-KRWDZBQOSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001377670389 1344297454 /nfs/dbraw/zinc/29/74/54/1344297454.db2.gz SFVCRTYJQMZTKC-MRXNPFEDSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001377670389 1344297457 /nfs/dbraw/zinc/29/74/57/1344297457.db2.gz SFVCRTYJQMZTKC-MRXNPFEDSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001418551422 1374166605 /nfs/dbraw/zinc/16/66/05/1374166605.db2.gz YPWHVLZQHZJONC-INIZCTEOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001418551422 1374166610 /nfs/dbraw/zinc/16/66/10/1374166610.db2.gz YPWHVLZQHZJONC-INIZCTEOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001418551422 1374166615 /nfs/dbraw/zinc/16/66/15/1374166615.db2.gz YPWHVLZQHZJONC-INIZCTEOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001381761676 1348509313 /nfs/dbraw/zinc/50/93/13/1348509313.db2.gz DRJJKMQDZYEQGB-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001381761676 1348509314 /nfs/dbraw/zinc/50/93/14/1348509314.db2.gz DRJJKMQDZYEQGB-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001400149791 1361785799 /nfs/dbraw/zinc/78/57/99/1361785799.db2.gz JLWYLBKQIOUZLT-MRXNPFEDSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001400149791 1361785803 /nfs/dbraw/zinc/78/58/03/1361785803.db2.gz JLWYLBKQIOUZLT-MRXNPFEDSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001400149791 1361785807 /nfs/dbraw/zinc/78/58/07/1361785807.db2.gz JLWYLBKQIOUZLT-MRXNPFEDSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400149791 1361785810 /nfs/dbraw/zinc/78/58/10/1361785810.db2.gz JLWYLBKQIOUZLT-MRXNPFEDSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC ZINC001406806701 1368079477 /nfs/dbraw/zinc/07/94/77/1368079477.db2.gz KRPQCFCNUAOTDL-HZPDHXFCSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001437979811 1388289770 /nfs/dbraw/zinc/28/97/70/1388289770.db2.gz NBILGOUHHHLPRZ-OAHLLOKOSA-N 2 2 346.862 2.789 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001437979811 1388289773 /nfs/dbraw/zinc/28/97/73/1388289773.db2.gz NBILGOUHHHLPRZ-OAHLLOKOSA-N 2 2 346.862 2.789 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001418551422 1374166600 /nfs/dbraw/zinc/16/66/00/1374166600.db2.gz YPWHVLZQHZJONC-INIZCTEOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@H]1C ZINC001419364056 1375170172 /nfs/dbraw/zinc/17/01/72/1375170172.db2.gz OHOGAJCIYATVGA-PBHICJAKSA-N 2 2 338.883 2.680 20 30 EFEDLP CC[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC001423300311 1381758732 /nfs/dbraw/zinc/75/87/32/1381758732.db2.gz WXQUIFSRCBBPNE-UHFFFAOYSA-N 3 2 340.515 2.844 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001423965725 1382562372 /nfs/dbraw/zinc/56/23/72/1382562372.db2.gz YLOMGNJZSSFQQP-HOCLYGCPSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001438777779 1388806865 /nfs/dbraw/zinc/80/68/65/1388806865.db2.gz XTOJDOYJNZPGMK-JKSUJKDBSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001424136454 1382784793 /nfs/dbraw/zinc/78/47/93/1382784793.db2.gz HLCCNDMXMDYUGL-CQSZACIVSA-N 2 2 332.835 2.900 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001447749458 1391749223 /nfs/dbraw/zinc/74/92/23/1391749223.db2.gz OETHMBHJGZEMEE-IAGOWNOFSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001498487076 1402140444 /nfs/dbraw/zinc/14/04/44/1402140444.db2.gz GKTRITQKRNWYPH-GJZGRUSLSA-N 2 2 346.862 2.965 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970914986 714130143 /nfs/dbraw/zinc/13/01/43/714130143.db2.gz DQZAVLSUIDERFN-MRXNPFEDSA-N 2 2 329.488 2.765 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587433 714135294 /nfs/dbraw/zinc/13/52/94/714135294.db2.gz KUSCDZWANQFFPR-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587433 714135295 /nfs/dbraw/zinc/13/52/95/714135295.db2.gz KUSCDZWANQFFPR-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612754 714176886 /nfs/dbraw/zinc/17/68/86/714176886.db2.gz FOIMXZRKLVLQHG-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612754 714176889 /nfs/dbraw/zinc/17/68/89/714176889.db2.gz FOIMXZRKLVLQHG-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615241 714180365 /nfs/dbraw/zinc/18/03/65/714180365.db2.gz VXMALTDFZWBRKV-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615241 714180366 /nfs/dbraw/zinc/18/03/66/714180366.db2.gz VXMALTDFZWBRKV-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632037 714207755 /nfs/dbraw/zinc/20/77/55/714207755.db2.gz FLRGBSZABIFZAT-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632037 714207757 /nfs/dbraw/zinc/20/77/57/714207757.db2.gz FLRGBSZABIFZAT-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001039435407 714902261 /nfs/dbraw/zinc/90/22/61/714902261.db2.gz KNVGCBXUQUYWLF-IKGGRYGDSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001039435407 714902264 /nfs/dbraw/zinc/90/22/64/714902264.db2.gz KNVGCBXUQUYWLF-IKGGRYGDSA-N 2 2 342.487 2.861 20 30 EFEDLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)c(C)[nH+]1 ZINC001022462581 715170402 /nfs/dbraw/zinc/17/04/02/715170402.db2.gz UKTOLTJXRNZMHI-KDURUIRLSA-N 2 2 348.450 2.929 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977415481 716162068 /nfs/dbraw/zinc/16/20/68/716162068.db2.gz RPCLGFGYBROOKA-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977415481 716162069 /nfs/dbraw/zinc/16/20/69/716162069.db2.gz RPCLGFGYBROOKA-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429073 716213824 /nfs/dbraw/zinc/21/38/24/716213824.db2.gz RMDUSGWGZBGHQS-INIZCTEOSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429073 716213830 /nfs/dbraw/zinc/21/38/30/716213830.db2.gz RMDUSGWGZBGHQS-INIZCTEOSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646173 716438322 /nfs/dbraw/zinc/43/83/22/716438322.db2.gz VXPQAZUBTOIALD-QGZVFWFLSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696651 716539645 /nfs/dbraw/zinc/53/96/45/716539645.db2.gz QADPSSJNRYOGLW-ROUUACIJSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696651 716539651 /nfs/dbraw/zinc/53/96/51/716539651.db2.gz QADPSSJNRYOGLW-ROUUACIJSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023513828 716569877 /nfs/dbraw/zinc/56/98/77/716569877.db2.gz GPACRTWHEWWXLX-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023513828 716569881 /nfs/dbraw/zinc/56/98/81/716569881.db2.gz GPACRTWHEWWXLX-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023513829 716570180 /nfs/dbraw/zinc/57/01/80/716570180.db2.gz GPACRTWHEWWXLX-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023513829 716570183 /nfs/dbraw/zinc/57/01/83/716570183.db2.gz GPACRTWHEWWXLX-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586126 716662713 /nfs/dbraw/zinc/66/27/13/716662713.db2.gz UVGVJYMTAZGJMF-HOTGVXAUSA-N 2 2 330.476 2.624 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586126 716662718 /nfs/dbraw/zinc/66/27/18/716662718.db2.gz UVGVJYMTAZGJMF-HOTGVXAUSA-N 2 2 330.476 2.624 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027944457 717380732 /nfs/dbraw/zinc/38/07/32/717380732.db2.gz XNFHUDJHCIRIJD-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027944457 717380735 /nfs/dbraw/zinc/38/07/35/717380735.db2.gz XNFHUDJHCIRIJD-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027944457 717380742 /nfs/dbraw/zinc/38/07/42/717380742.db2.gz XNFHUDJHCIRIJD-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027944457 717380745 /nfs/dbraw/zinc/38/07/45/717380745.db2.gz XNFHUDJHCIRIJD-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC000979972246 717626258 /nfs/dbraw/zinc/62/62/58/717626258.db2.gz ALTFIQFGGYFHOM-KSZLIROESA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC000979972246 717626259 /nfs/dbraw/zinc/62/62/59/717626259.db2.gz ALTFIQFGGYFHOM-KSZLIROESA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024437858 717734359 /nfs/dbraw/zinc/73/43/59/717734359.db2.gz XKFOTUVLHACGFF-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024437858 717734363 /nfs/dbraw/zinc/73/43/63/717734363.db2.gz XKFOTUVLHACGFF-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437858 717734366 /nfs/dbraw/zinc/73/43/66/717734366.db2.gz XKFOTUVLHACGFF-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437858 717734369 /nfs/dbraw/zinc/73/43/69/717734369.db2.gz XKFOTUVLHACGFF-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440922 717740344 /nfs/dbraw/zinc/74/03/44/717740344.db2.gz VILAXAMZDGDCAN-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440922 717740347 /nfs/dbraw/zinc/74/03/47/717740347.db2.gz VILAXAMZDGDCAN-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476952 717789592 /nfs/dbraw/zinc/78/95/92/717789592.db2.gz HNULRANEVBOLEF-IRXDYDNUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024476952 717789598 /nfs/dbraw/zinc/78/95/98/717789598.db2.gz HNULRANEVBOLEF-IRXDYDNUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024476952 717789603 /nfs/dbraw/zinc/78/96/03/717789603.db2.gz HNULRANEVBOLEF-IRXDYDNUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024476952 717789609 /nfs/dbraw/zinc/78/96/09/717789609.db2.gz HNULRANEVBOLEF-IRXDYDNUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516351 717862231 /nfs/dbraw/zinc/86/22/31/717862231.db2.gz INBHNSYFRBUVJZ-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516351 717862237 /nfs/dbraw/zinc/86/22/37/717862237.db2.gz INBHNSYFRBUVJZ-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516351 717862241 /nfs/dbraw/zinc/86/22/41/717862241.db2.gz INBHNSYFRBUVJZ-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516351 717862246 /nfs/dbraw/zinc/86/22/46/717862246.db2.gz INBHNSYFRBUVJZ-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024523873 717871551 /nfs/dbraw/zinc/87/15/51/717871551.db2.gz RIBDZWGBIVDESW-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024523873 717871556 /nfs/dbraw/zinc/87/15/56/717871556.db2.gz RIBDZWGBIVDESW-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523873 717871562 /nfs/dbraw/zinc/87/15/62/717871562.db2.gz RIBDZWGBIVDESW-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523873 717871565 /nfs/dbraw/zinc/87/15/65/717871565.db2.gz RIBDZWGBIVDESW-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024693050 718087336 /nfs/dbraw/zinc/08/73/36/718087336.db2.gz VGHQTDAEEWOTIC-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024693050 718087340 /nfs/dbraw/zinc/08/73/40/718087340.db2.gz VGHQTDAEEWOTIC-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024693050 718087341 /nfs/dbraw/zinc/08/73/41/718087341.db2.gz VGHQTDAEEWOTIC-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024693050 718087345 /nfs/dbraw/zinc/08/73/45/718087345.db2.gz VGHQTDAEEWOTIC-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981091592 718114947 /nfs/dbraw/zinc/11/49/47/718114947.db2.gz OQXWAASZKOMZTO-DLBZAZTESA-N 2 2 326.444 2.849 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981091593 718115026 /nfs/dbraw/zinc/11/50/26/718115026.db2.gz OQXWAASZKOMZTO-IAGOWNOFSA-N 2 2 326.444 2.849 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663291 718431984 /nfs/dbraw/zinc/43/19/84/718431984.db2.gz STQOMBFTELNQPJ-ZFWWWQNUSA-N 2 2 339.867 2.676 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663291 718431986 /nfs/dbraw/zinc/43/19/86/718431986.db2.gz STQOMBFTELNQPJ-ZFWWWQNUSA-N 2 2 339.867 2.676 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245106 718469699 /nfs/dbraw/zinc/46/96/99/718469699.db2.gz ZXZCVDVGGWXUKU-QZTJIDSGSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245106 718469700 /nfs/dbraw/zinc/46/97/00/718469700.db2.gz ZXZCVDVGGWXUKU-QZTJIDSGSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245108 718469861 /nfs/dbraw/zinc/46/98/61/718469861.db2.gz ZXZCVDVGGWXUKU-ZWKOTPCHSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245108 718469863 /nfs/dbraw/zinc/46/98/63/718469863.db2.gz ZXZCVDVGGWXUKU-ZWKOTPCHSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250958 718472061 /nfs/dbraw/zinc/47/20/61/718472061.db2.gz FTVOQEGZIRQVAE-ROUUACIJSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250958 718472063 /nfs/dbraw/zinc/47/20/63/718472063.db2.gz FTVOQEGZIRQVAE-ROUUACIJSA-N 2 2 344.503 2.774 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287066 718522879 /nfs/dbraw/zinc/52/28/79/718522879.db2.gz BTIKDTHFBHHXID-DLBZAZTESA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287066 718522884 /nfs/dbraw/zinc/52/28/84/718522884.db2.gz BTIKDTHFBHHXID-DLBZAZTESA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982299380 719851055 /nfs/dbraw/zinc/85/10/55/719851055.db2.gz DZHWUALGMBMKRS-SMOSDQRPSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982299380 719851063 /nfs/dbraw/zinc/85/10/63/719851063.db2.gz DZHWUALGMBMKRS-SMOSDQRPSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982299380 719851068 /nfs/dbraw/zinc/85/10/68/719851068.db2.gz DZHWUALGMBMKRS-SMOSDQRPSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982299380 719851075 /nfs/dbraw/zinc/85/10/75/719851075.db2.gz DZHWUALGMBMKRS-SMOSDQRPSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000986279228 724626387 /nfs/dbraw/zinc/62/63/87/724626387.db2.gz KAOPWNDLMOFAEA-HIFRSBDPSA-N 2 2 332.835 2.588 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001026296284 720176422 /nfs/dbraw/zinc/17/64/22/720176422.db2.gz VTWLZSSHGOHVSH-DUVNUKRYSA-N 2 2 344.846 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001026312287 720211287 /nfs/dbraw/zinc/21/12/87/720211287.db2.gz UIZFOFNYISIIJI-RRFJBIMHSA-N 2 2 344.846 2.527 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335299 720384762 /nfs/dbraw/zinc/38/47/62/720384762.db2.gz RPNPWPMGAKZWQN-INIZCTEOSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982734816 721136411 /nfs/dbraw/zinc/13/64/11/721136411.db2.gz FUKKWGQPZVEZCM-BGYRXZFFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982734816 721136413 /nfs/dbraw/zinc/13/64/13/721136413.db2.gz FUKKWGQPZVEZCM-BGYRXZFFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974753231 721407297 /nfs/dbraw/zinc/40/72/97/721407297.db2.gz QNTVBNOSVLARJU-QAPCUYQASA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974753231 721407300 /nfs/dbraw/zinc/40/73/00/721407300.db2.gz QNTVBNOSVLARJU-QAPCUYQASA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974753231 721407303 /nfs/dbraw/zinc/40/73/03/721407303.db2.gz QNTVBNOSVLARJU-QAPCUYQASA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974753231 721407306 /nfs/dbraw/zinc/40/73/06/721407306.db2.gz QNTVBNOSVLARJU-QAPCUYQASA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000985700423 724811089 /nfs/dbraw/zinc/81/10/89/724811089.db2.gz AOZWKJCPDUFZHK-UHFFFAOYSA-N 2 2 340.471 2.684 20 30 EFEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000985700423 724811092 /nfs/dbraw/zinc/81/10/92/724811092.db2.gz AOZWKJCPDUFZHK-UHFFFAOYSA-N 2 2 340.471 2.684 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000983553244 722714552 /nfs/dbraw/zinc/71/45/52/722714552.db2.gz JWWHFKXCBUVWOU-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP C=C(C)CC[N@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000983553244 722714553 /nfs/dbraw/zinc/71/45/53/722714553.db2.gz JWWHFKXCBUVWOU-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992034940 725478572 /nfs/dbraw/zinc/47/85/72/725478572.db2.gz XJGBBXMEKHBGCV-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992034940 725478575 /nfs/dbraw/zinc/47/85/75/725478575.db2.gz XJGBBXMEKHBGCV-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992164348 725577614 /nfs/dbraw/zinc/57/76/14/725577614.db2.gz CBROUFRXKRRYBO-ZSZQSSIHSA-N 2 2 328.460 2.519 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992164348 725577615 /nfs/dbraw/zinc/57/76/15/725577615.db2.gz CBROUFRXKRRYBO-ZSZQSSIHSA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992165377 725578422 /nfs/dbraw/zinc/57/84/22/725578422.db2.gz DXJFFKMVOYPONN-IDHHARJASA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992165377 725578425 /nfs/dbraw/zinc/57/84/25/725578425.db2.gz DXJFFKMVOYPONN-IDHHARJASA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992165379 725578502 /nfs/dbraw/zinc/57/85/02/725578502.db2.gz DXJFFKMVOYPONN-SIXWZSSISA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992165379 725578503 /nfs/dbraw/zinc/57/85/03/725578503.db2.gz DXJFFKMVOYPONN-SIXWZSSISA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168031 725580767 /nfs/dbraw/zinc/58/07/67/725580767.db2.gz MIRGNHXOAOBMTD-MAUKXSAKSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168031 725580769 /nfs/dbraw/zinc/58/07/69/725580769.db2.gz MIRGNHXOAOBMTD-MAUKXSAKSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168031 725580771 /nfs/dbraw/zinc/58/07/71/725580771.db2.gz MIRGNHXOAOBMTD-MAUKXSAKSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168031 725580772 /nfs/dbraw/zinc/58/07/72/725580772.db2.gz MIRGNHXOAOBMTD-MAUKXSAKSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC000992723623 726137377 /nfs/dbraw/zinc/13/73/77/726137377.db2.gz AAARHVDFNMSAHI-OKZBNKHCSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993534537 727300374 /nfs/dbraw/zinc/30/03/74/727300374.db2.gz HTDCVBNFOABTCY-CJNGLKHVSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993534537 727300377 /nfs/dbraw/zinc/30/03/77/727300377.db2.gz HTDCVBNFOABTCY-CJNGLKHVSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994130308 727600470 /nfs/dbraw/zinc/60/04/70/727600470.db2.gz WZWRMIILNWFKTR-DOTOQJQBSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994130308 727600472 /nfs/dbraw/zinc/60/04/72/727600472.db2.gz WZWRMIILNWFKTR-DOTOQJQBSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994130318 727600549 /nfs/dbraw/zinc/60/05/49/727600549.db2.gz WZWRMIILNWFKTR-WBVHZDCISA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994130318 727600552 /nfs/dbraw/zinc/60/05/52/727600552.db2.gz WZWRMIILNWFKTR-WBVHZDCISA-N 2 2 341.927 2.828 20 30 EFEDLP C=CCC[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000912419613 727710009 /nfs/dbraw/zinc/71/00/09/727710009.db2.gz RCCAQKYQKOJGLW-IBGZPJMESA-N 2 2 348.535 2.685 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124261 727853709 /nfs/dbraw/zinc/85/37/09/727853709.db2.gz QAIPVVAFIIQOIC-INIZCTEOSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124261 727853711 /nfs/dbraw/zinc/85/37/11/727853711.db2.gz QAIPVVAFIIQOIC-INIZCTEOSA-N 2 2 341.927 2.688 20 30 EFEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001580050809 1090755801 /nfs/dbraw/zinc/75/58/01/1090755801.db2.gz MPXDATMARHMMNB-HNNXBMFYSA-N 2 2 345.834 2.553 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066732 1090761041 /nfs/dbraw/zinc/76/10/41/1090761041.db2.gz RWHRPTRAOQNGDM-NVXWUHKLSA-N 2 2 328.416 2.821 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066732 1090761046 /nfs/dbraw/zinc/76/10/46/1090761046.db2.gz RWHRPTRAOQNGDM-NVXWUHKLSA-N 2 2 328.416 2.821 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461726 1093331487 /nfs/dbraw/zinc/33/14/87/1093331487.db2.gz PUGGRWOGARVNKX-GOSISDBHSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461726 1093331490 /nfs/dbraw/zinc/33/14/90/1093331490.db2.gz PUGGRWOGARVNKX-GOSISDBHSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021484 1094698888 /nfs/dbraw/zinc/69/88/88/1094698888.db2.gz PJRDHYMYBWKRDA-HBFSDRIKSA-N 2 2 344.503 2.989 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021484 1094698893 /nfs/dbraw/zinc/69/88/93/1094698893.db2.gz PJRDHYMYBWKRDA-HBFSDRIKSA-N 2 2 344.503 2.989 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@H]21 ZINC001087294929 1095047765 /nfs/dbraw/zinc/04/77/65/1095047765.db2.gz BAOHDGGXNWYGMJ-JLSDUUJJSA-N 2 2 338.455 2.739 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@H]21 ZINC001087294929 1095047780 /nfs/dbraw/zinc/04/77/80/1095047780.db2.gz BAOHDGGXNWYGMJ-JLSDUUJJSA-N 2 2 338.455 2.739 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001087294928 1095049732 /nfs/dbraw/zinc/04/97/32/1095049732.db2.gz BAOHDGGXNWYGMJ-FHLIZLRMSA-N 2 2 338.455 2.739 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001087294928 1095049747 /nfs/dbraw/zinc/04/97/47/1095049747.db2.gz BAOHDGGXNWYGMJ-FHLIZLRMSA-N 2 2 338.455 2.739 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001482312291 1099415217 /nfs/dbraw/zinc/41/52/17/1099415217.db2.gz GBLIEOCPKSTFNU-CQSZACIVSA-N 2 2 332.835 2.675 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536073 1099795726 /nfs/dbraw/zinc/79/57/26/1099795726.db2.gz OMUPZMMTCUGXMI-BXWFABGCSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001087581275 1100553159 /nfs/dbraw/zinc/55/31/59/1100553159.db2.gz ZMCNRQZDLSJZCT-ZWKOTPCHSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001087581275 1100553163 /nfs/dbraw/zinc/55/31/63/1100553163.db2.gz ZMCNRQZDLSJZCT-ZWKOTPCHSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593443 1100569210 /nfs/dbraw/zinc/56/92/10/1100569210.db2.gz HDRTXATYWIEUQN-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593443 1100569212 /nfs/dbraw/zinc/56/92/12/1100569212.db2.gz HDRTXATYWIEUQN-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593443 1100569216 /nfs/dbraw/zinc/56/92/16/1100569216.db2.gz HDRTXATYWIEUQN-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593443 1100569220 /nfs/dbraw/zinc/56/92/20/1100569220.db2.gz HDRTXATYWIEUQN-ARFHVFGLSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840032 1100852613 /nfs/dbraw/zinc/85/26/13/1100852613.db2.gz DPUZEQMCEFHMQX-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840032 1100852616 /nfs/dbraw/zinc/85/26/16/1100852616.db2.gz DPUZEQMCEFHMQX-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840032 1100852625 /nfs/dbraw/zinc/85/26/25/1100852625.db2.gz DPUZEQMCEFHMQX-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840032 1100852633 /nfs/dbraw/zinc/85/26/33/1100852633.db2.gz DPUZEQMCEFHMQX-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP CC(C)C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001168039482 1101086775 /nfs/dbraw/zinc/08/67/75/1101086775.db2.gz FOXNNVKKLCXRNP-MDZRGWNJSA-N 2 2 347.503 2.938 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101963 1101548527 /nfs/dbraw/zinc/54/85/27/1101548527.db2.gz JIFKSJAYJPUJSO-IXDOHACOSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101963 1101548541 /nfs/dbraw/zinc/54/85/41/1101548541.db2.gz JIFKSJAYJPUJSO-IXDOHACOSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345464 1101965558 /nfs/dbraw/zinc/96/55/58/1101965558.db2.gz IFEOPZGGQBEGAE-IAGOWNOFSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503463 1101979420 /nfs/dbraw/zinc/97/94/20/1101979420.db2.gz RGHVSBYSXNSZRT-BJLQDIEVSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486494 1102547897 /nfs/dbraw/zinc/54/78/97/1102547897.db2.gz VLGXWXQUPFIAMM-PXNSSMCTSA-N 2 2 344.503 2.537 20 30 EFEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001088314880 1102864856 /nfs/dbraw/zinc/86/48/56/1102864856.db2.gz JBEVPPBOQHISDJ-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001088335326 1102991309 /nfs/dbraw/zinc/99/13/09/1102991309.db2.gz ALYJSNYGHCUKCK-QGZVFWFLSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001088346470 1103068760 /nfs/dbraw/zinc/06/87/60/1103068760.db2.gz PWANKSSXYUQPCZ-MRXNPFEDSA-N 2 2 326.444 2.885 20 30 EFEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001088398447 1103421216 /nfs/dbraw/zinc/42/12/16/1103421216.db2.gz IVHMZICVMPMDNP-KRWDZBQOSA-N 2 2 340.471 2.732 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001661930373 1103510373 /nfs/dbraw/zinc/51/03/73/1103510373.db2.gz SJOOULRYHUQRTO-KRWDZBQOSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001088431720 1103590577 /nfs/dbraw/zinc/59/05/77/1103590577.db2.gz DZLSJWPCMFZOBW-OALUTQOASA-N 2 2 344.503 2.621 20 30 EFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc1 ZINC000783300509 1104274485 /nfs/dbraw/zinc/27/44/85/1104274485.db2.gz NZAQNSBXWUVDHR-UHFFFAOYSA-N 2 2 338.430 2.889 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988844055 1105325102 /nfs/dbraw/zinc/32/51/02/1105325102.db2.gz MECVICBPWHSUQI-SWLSCSKDSA-N 2 2 332.835 2.588 20 30 EFEDLP N=C(Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1nccs1 ZINC001168279765 1105773569 /nfs/dbraw/zinc/77/35/69/1105773569.db2.gz WGNWCAFLJKWBRM-ZDUSSCGKSA-N 2 2 340.456 2.844 20 30 EFEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542680 1105900540 /nfs/dbraw/zinc/90/05/40/1105900540.db2.gz ZMDZSBZVQRHUBY-GOSISDBHSA-N 2 2 342.487 2.507 20 30 EFEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542680 1105900546 /nfs/dbraw/zinc/90/05/46/1105900546.db2.gz ZMDZSBZVQRHUBY-GOSISDBHSA-N 2 2 342.487 2.507 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551587 1105924827 /nfs/dbraw/zinc/92/48/27/1105924827.db2.gz HJKBMDSBFCRQIZ-SFHVURJKSA-N 2 2 344.503 2.990 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105568038 1105946540 /nfs/dbraw/zinc/94/65/40/1105946540.db2.gz DLILIIGUQBYNCW-FUHWJXTLSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105568038 1105946543 /nfs/dbraw/zinc/94/65/43/1105946543.db2.gz DLILIIGUQBYNCW-FUHWJXTLSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570423 1105950690 /nfs/dbraw/zinc/95/06/90/1105950690.db2.gz PJVXJZKDONBLQR-INIZCTEOSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105575325 1105962401 /nfs/dbraw/zinc/96/24/01/1105962401.db2.gz YMTGVPFEHBZCSL-GOSISDBHSA-N 2 2 344.503 2.680 20 30 EFEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584590 1105970476 /nfs/dbraw/zinc/97/04/76/1105970476.db2.gz IOLUJRVWGCSNHJ-KRWDZBQOSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989634560 1106497808 /nfs/dbraw/zinc/49/78/08/1106497808.db2.gz FNCAHHLXRBKLTE-ZBFHGGJFSA-N 2 2 344.846 2.817 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106068672 1106855572 /nfs/dbraw/zinc/85/55/72/1106855572.db2.gz LNBQXFIEOPJDFC-IAGOWNOFSA-N 2 2 334.508 2.997 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075975051 1108536666 /nfs/dbraw/zinc/53/66/66/1108536666.db2.gz LCBUBHZSJHKLLN-WMLDXEAASA-N 2 2 344.846 2.542 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075975051 1108536678 /nfs/dbraw/zinc/53/66/78/1108536678.db2.gz LCBUBHZSJHKLLN-WMLDXEAASA-N 2 2 344.846 2.542 20 30 EFEDLP C#CCOc1ccc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000041635091 1108772246 /nfs/dbraw/zinc/77/22/46/1108772246.db2.gz XXGPNFBYASJDJK-UHFFFAOYSA-N 2 2 325.250 2.502 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060735 1111378281 /nfs/dbraw/zinc/37/82/81/1111378281.db2.gz IWBUJOKPZILSPR-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060735 1111378285 /nfs/dbraw/zinc/37/82/85/1111378285.db2.gz IWBUJOKPZILSPR-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060735 1111378289 /nfs/dbraw/zinc/37/82/89/1111378289.db2.gz IWBUJOKPZILSPR-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000948060735 1111378293 /nfs/dbraw/zinc/37/82/93/1111378293.db2.gz IWBUJOKPZILSPR-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389306 1112054590 /nfs/dbraw/zinc/05/45/90/1112054590.db2.gz OAVZZMJKKQEUPI-INIZCTEOSA-N 2 2 344.503 2.555 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389306 1112054595 /nfs/dbraw/zinc/05/45/95/1112054595.db2.gz OAVZZMJKKQEUPI-INIZCTEOSA-N 2 2 344.503 2.555 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089411344 1112087082 /nfs/dbraw/zinc/08/70/82/1112087082.db2.gz HBAZUHGYGIQDNM-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089411344 1112087086 /nfs/dbraw/zinc/08/70/86/1112087086.db2.gz HBAZUHGYGIQDNM-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089411344 1112087091 /nfs/dbraw/zinc/08/70/91/1112087091.db2.gz HBAZUHGYGIQDNM-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089411344 1112087095 /nfs/dbraw/zinc/08/70/95/1112087095.db2.gz HBAZUHGYGIQDNM-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420739 1112100710 /nfs/dbraw/zinc/10/07/10/1112100710.db2.gz ODLYBPRFAXJEIX-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420739 1112100711 /nfs/dbraw/zinc/10/07/11/1112100711.db2.gz ODLYBPRFAXJEIX-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421893 1112102881 /nfs/dbraw/zinc/10/28/81/1112102881.db2.gz ZHJGHUOVCYQYIM-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421893 1112102884 /nfs/dbraw/zinc/10/28/84/1112102884.db2.gz ZHJGHUOVCYQYIM-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424623 1112111427 /nfs/dbraw/zinc/11/14/27/1112111427.db2.gz WXLMKSGBFIGLAC-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424623 1112111428 /nfs/dbraw/zinc/11/14/28/1112111428.db2.gz WXLMKSGBFIGLAC-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424628 1112111751 /nfs/dbraw/zinc/11/17/51/1112111751.db2.gz WXLMKSGBFIGLAC-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424628 1112111753 /nfs/dbraw/zinc/11/17/53/1112111753.db2.gz WXLMKSGBFIGLAC-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424847 1112113295 /nfs/dbraw/zinc/11/32/95/1112113295.db2.gz ZKFOEQOWFILQPR-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424847 1112113297 /nfs/dbraw/zinc/11/32/97/1112113297.db2.gz ZKFOEQOWFILQPR-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424847 1112113300 /nfs/dbraw/zinc/11/33/00/1112113300.db2.gz ZKFOEQOWFILQPR-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424847 1112113302 /nfs/dbraw/zinc/11/33/02/1112113302.db2.gz ZKFOEQOWFILQPR-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424849 1112113342 /nfs/dbraw/zinc/11/33/42/1112113342.db2.gz ZKFOEQOWFILQPR-HOTGVXAUSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424849 1112113345 /nfs/dbraw/zinc/11/33/45/1112113345.db2.gz ZKFOEQOWFILQPR-HOTGVXAUSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424849 1112113347 /nfs/dbraw/zinc/11/33/47/1112113347.db2.gz ZKFOEQOWFILQPR-HOTGVXAUSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424849 1112113349 /nfs/dbraw/zinc/11/33/49/1112113349.db2.gz ZKFOEQOWFILQPR-HOTGVXAUSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549282 1112295407 /nfs/dbraw/zinc/29/54/07/1112295407.db2.gz VZBAAINJFYEIRI-AWEZNQCLSA-N 2 2 338.883 2.620 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549282 1112295409 /nfs/dbraw/zinc/29/54/09/1112295409.db2.gz VZBAAINJFYEIRI-AWEZNQCLSA-N 2 2 338.883 2.620 20 30 EFEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648696 1112451353 /nfs/dbraw/zinc/45/13/53/1112451353.db2.gz PRYFYIMZJUQHBN-MRXNPFEDSA-N 2 2 347.528 2.663 20 30 EFEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648696 1112451356 /nfs/dbraw/zinc/45/13/56/1112451356.db2.gz PRYFYIMZJUQHBN-MRXNPFEDSA-N 2 2 347.528 2.663 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089654377 1112530023 /nfs/dbraw/zinc/53/00/23/1112530023.db2.gz XYQANQKPDOQOLU-OALUTQOASA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089654377 1112530026 /nfs/dbraw/zinc/53/00/26/1112530026.db2.gz XYQANQKPDOQOLU-OALUTQOASA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089654377 1112530028 /nfs/dbraw/zinc/53/00/28/1112530028.db2.gz XYQANQKPDOQOLU-OALUTQOASA-N 2 2 345.531 2.657 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657293 1112578273 /nfs/dbraw/zinc/57/82/73/1112578273.db2.gz CIRUUGLLIJDVDC-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657293 1112578277 /nfs/dbraw/zinc/57/82/77/1112578277.db2.gz CIRUUGLLIJDVDC-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089661920 1112602870 /nfs/dbraw/zinc/60/28/70/1112602870.db2.gz ZUWGDXLBCKBZLM-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089661920 1112602872 /nfs/dbraw/zinc/60/28/72/1112602872.db2.gz ZUWGDXLBCKBZLM-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695149 1112802425 /nfs/dbraw/zinc/80/24/25/1112802425.db2.gz DURXXQKJNAEOEC-GVDBMIGSSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695149 1112802431 /nfs/dbraw/zinc/80/24/31/1112802431.db2.gz DURXXQKJNAEOEC-GVDBMIGSSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001485032471 1117956891 /nfs/dbraw/zinc/95/68/91/1117956891.db2.gz XXGWKBKXBQAZJY-UHFFFAOYSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001485032471 1117956895 /nfs/dbraw/zinc/95/68/95/1117956895.db2.gz XXGWKBKXBQAZJY-UHFFFAOYSA-N 2 2 338.883 2.586 20 30 EFEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827954 1117991125 /nfs/dbraw/zinc/99/11/25/1117991125.db2.gz QDXFXLKACOIIDH-PSLQGDIJSA-N 2 2 336.439 2.531 20 30 EFEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827954 1117991129 /nfs/dbraw/zinc/99/11/29/1117991129.db2.gz QDXFXLKACOIIDH-PSLQGDIJSA-N 2 2 336.439 2.531 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272700104 1118435327 /nfs/dbraw/zinc/43/53/27/1118435327.db2.gz RRFHPASYVYXOEU-LJQANCHMSA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272700104 1118435330 /nfs/dbraw/zinc/43/53/30/1118435330.db2.gz RRFHPASYVYXOEU-LJQANCHMSA-N 2 2 330.476 2.591 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286812 1119400382 /nfs/dbraw/zinc/40/03/82/1119400382.db2.gz GWFMKLWBUIWDRJ-DZGCQCFKSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286812 1119400386 /nfs/dbraw/zinc/40/03/86/1119400386.db2.gz GWFMKLWBUIWDRJ-DZGCQCFKSA-N 2 2 338.883 2.586 20 30 EFEDLP CN1CCC[NH+]=C1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000263173428 282168688 /nfs/dbraw/zinc/16/86/88/282168688.db2.gz SKYZPQIOZQFDIA-AWEZNQCLSA-N 2 2 328.382 2.589 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)cc1 ZINC000181895842 234371689 /nfs/dbraw/zinc/37/16/89/234371689.db2.gz VRTLWAFOKKUIOU-KDURUIRLSA-N 2 2 327.472 2.663 20 30 EFEDLP CN(C)c1[nH+]cc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)n1C ZINC000262527589 240358163 /nfs/dbraw/zinc/35/81/63/240358163.db2.gz LWZPYVUZYHRCSL-UHFFFAOYSA-N 2 2 340.475 2.940 20 30 EFEDLP C#CCC[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264903928 201214364 /nfs/dbraw/zinc/21/43/64/201214364.db2.gz KXBFGHBPTRUDAK-UHFFFAOYSA-N 2 2 335.407 2.655 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266601257 201220082 /nfs/dbraw/zinc/22/00/82/201220082.db2.gz XAWMSFFPYNORRM-HXUWFJFHSA-N 2 2 341.499 2.641 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266601257 201220086 /nfs/dbraw/zinc/22/00/86/201220086.db2.gz XAWMSFFPYNORRM-HXUWFJFHSA-N 2 2 341.499 2.641 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266601257 201220089 /nfs/dbraw/zinc/22/00/89/201220089.db2.gz XAWMSFFPYNORRM-HXUWFJFHSA-N 2 2 341.499 2.641 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266601257 201220092 /nfs/dbraw/zinc/22/00/92/201220092.db2.gz XAWMSFFPYNORRM-HXUWFJFHSA-N 2 2 341.499 2.641 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cn2ccccc2[nH+]1)C(C)C ZINC000263780932 201208158 /nfs/dbraw/zinc/20/81/58/201208158.db2.gz VNHYJZMJTZTYCS-GOSISDBHSA-N 2 2 340.471 2.692 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC000269307560 201232427 /nfs/dbraw/zinc/23/24/27/201232427.db2.gz ZPAZLFZGKMETJD-GOSISDBHSA-N 2 2 347.507 2.613 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000273829712 201262714 /nfs/dbraw/zinc/26/27/14/201262714.db2.gz YNAJWQIZKDBEJL-FQEVSTJZSA-N 2 2 339.487 2.958 20 30 EFEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@@H](C)O1 ZINC000237508843 240243559 /nfs/dbraw/zinc/24/35/59/240243559.db2.gz YQKDGXMDXHFKGE-QZTJIDSGSA-N 2 2 345.487 2.958 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245448388 240255477 /nfs/dbraw/zinc/25/54/77/240255477.db2.gz MUSCVMMUCOZWEJ-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245448388 240255483 /nfs/dbraw/zinc/25/54/83/240255483.db2.gz MUSCVMMUCOZWEJ-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448388 240255491 /nfs/dbraw/zinc/25/54/91/240255491.db2.gz MUSCVMMUCOZWEJ-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448388 240255495 /nfs/dbraw/zinc/25/54/95/240255495.db2.gz MUSCVMMUCOZWEJ-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246313776 240266271 /nfs/dbraw/zinc/26/62/71/240266271.db2.gz GGAHBFIRWZYKBM-QRVBRYPASA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246313776 240266278 /nfs/dbraw/zinc/26/62/78/240266278.db2.gz GGAHBFIRWZYKBM-QRVBRYPASA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246313776 240266286 /nfs/dbraw/zinc/26/62/86/240266286.db2.gz GGAHBFIRWZYKBM-QRVBRYPASA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246313776 240266292 /nfs/dbraw/zinc/26/62/92/240266292.db2.gz GGAHBFIRWZYKBM-QRVBRYPASA-N 2 2 348.535 2.581 20 30 EFEDLP COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000264063799 240399206 /nfs/dbraw/zinc/39/92/06/240399206.db2.gz AIOVVACEOQYIHQ-QGZVFWFLSA-N 2 2 346.500 2.506 20 30 EFEDLP CC1CC[NH+](C2CCC(NC(=O)N3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000328642342 241212170 /nfs/dbraw/zinc/21/21/70/241212170.db2.gz DRZGXRNZLYFMNR-UHFFFAOYSA-N 2 2 345.491 2.656 20 30 EFEDLP Cc1nc(C(C)C)oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000328795238 241243761 /nfs/dbraw/zinc/24/37/61/241243761.db2.gz TVPLLMBKODFYEK-UHFFFAOYSA-N 2 2 348.491 2.970 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCCC13CC[NH+](C)CC3)CCC2 ZINC000329034917 241289186 /nfs/dbraw/zinc/28/91/86/241289186.db2.gz BZLJLBQERVHJNZ-INIZCTEOSA-N 2 2 345.491 2.543 20 30 EFEDLP Cc1ccn2cc(CNC(=O)N3CCCC34CC[NH+](C)CC4)[nH+]c2c1 ZINC000329066399 241295761 /nfs/dbraw/zinc/29/57/61/241295761.db2.gz LJUNTCKBOXDQFJ-UHFFFAOYSA-N 2 2 341.459 2.617 20 30 EFEDLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000329542573 241393683 /nfs/dbraw/zinc/39/36/83/241393683.db2.gz DXFODESRDCKYRP-UHFFFAOYSA-N 2 2 345.491 2.802 20 30 EFEDLP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000357548679 242099282 /nfs/dbraw/zinc/09/92/82/242099282.db2.gz AFLLOSJPJHIAHY-UHFFFAOYSA-N 2 2 341.499 2.680 20 30 EFEDLP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000357548679 242099287 /nfs/dbraw/zinc/09/92/87/242099287.db2.gz AFLLOSJPJHIAHY-UHFFFAOYSA-N 2 2 341.499 2.680 20 30 EFEDLP C=CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000357548679 242099293 /nfs/dbraw/zinc/09/92/93/242099293.db2.gz AFLLOSJPJHIAHY-UHFFFAOYSA-N 2 2 341.499 2.680 20 30 EFEDLP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC000357548679 242099297 /nfs/dbraw/zinc/09/92/97/242099297.db2.gz AFLLOSJPJHIAHY-UHFFFAOYSA-N 2 2 341.499 2.680 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361216642 242220525 /nfs/dbraw/zinc/22/05/25/242220525.db2.gz NTKGWDVKNBGORM-HNNXBMFYSA-N 2 2 325.460 2.877 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000069982841 203068729 /nfs/dbraw/zinc/06/87/29/203068729.db2.gz KTTXVZPKVBOCLW-HDICACEKSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000069982841 203068733 /nfs/dbraw/zinc/06/87/33/203068733.db2.gz KTTXVZPKVBOCLW-HDICACEKSA-N 2 2 326.488 2.549 20 30 EFEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000109787400 204292346 /nfs/dbraw/zinc/29/23/46/204292346.db2.gz RZYOIEXPEBHWMQ-UHFFFAOYSA-N 2 2 348.878 2.956 20 30 EFEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000109787400 204292351 /nfs/dbraw/zinc/29/23/51/204292351.db2.gz RZYOIEXPEBHWMQ-UHFFFAOYSA-N 2 2 348.878 2.956 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243392 204342723 /nfs/dbraw/zinc/34/27/23/204342723.db2.gz RGZZJGKFXKJWTI-UHFFFAOYSA-N 2 2 343.818 2.684 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130785127 205257992 /nfs/dbraw/zinc/25/79/92/205257992.db2.gz IZLYBSFFWSSFIG-UHFFFAOYSA-N 2 2 336.399 2.635 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130785127 205257998 /nfs/dbraw/zinc/25/79/98/205257998.db2.gz IZLYBSFFWSSFIG-UHFFFAOYSA-N 2 2 336.399 2.635 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157257550 206124456 /nfs/dbraw/zinc/12/44/56/206124456.db2.gz HRSYEOKOTXGYSR-APWZRJJASA-N 2 2 340.471 2.836 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157257550 206124460 /nfs/dbraw/zinc/12/44/60/206124460.db2.gz HRSYEOKOTXGYSR-APWZRJJASA-N 2 2 340.471 2.836 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157257393 206125332 /nfs/dbraw/zinc/12/53/32/206125332.db2.gz HRSYEOKOTXGYSR-LPHOPBHVSA-N 2 2 340.471 2.836 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157257393 206125335 /nfs/dbraw/zinc/12/53/35/206125335.db2.gz HRSYEOKOTXGYSR-LPHOPBHVSA-N 2 2 340.471 2.836 20 30 EFEDLP Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C#N)c[nH+]1 ZINC000425214569 247002165 /nfs/dbraw/zinc/00/21/65/247002165.db2.gz JPRAHCIULCXLRM-INIZCTEOSA-N 2 2 336.439 2.516 20 30 EFEDLP Cc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C#N)c[nH+]1 ZINC000425214569 247002171 /nfs/dbraw/zinc/00/21/71/247002171.db2.gz JPRAHCIULCXLRM-INIZCTEOSA-N 2 2 336.439 2.516 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)o3)c2)CCO1 ZINC000174304458 207008867 /nfs/dbraw/zinc/00/88/67/207008867.db2.gz ZTEAMZNJEUJRRN-OAHLLOKOSA-N 2 2 325.412 2.662 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)o3)c2)CCO1 ZINC000174304458 207008871 /nfs/dbraw/zinc/00/88/71/207008871.db2.gz ZTEAMZNJEUJRRN-OAHLLOKOSA-N 2 2 325.412 2.662 20 30 EFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000449525029 251053213 /nfs/dbraw/zinc/05/32/13/251053213.db2.gz QIMKGAMBUNFPPV-XLIONFOSSA-N 2 2 340.471 2.891 20 30 EFEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000176945095 207278188 /nfs/dbraw/zinc/27/81/88/207278188.db2.gz DBQFDAGEFNTECF-UHFFFAOYSA-N 2 2 340.496 2.922 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453300669 252031021 /nfs/dbraw/zinc/03/10/21/252031021.db2.gz ZCDVUMBCYQIOOR-UYAOXDASSA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453300669 252031026 /nfs/dbraw/zinc/03/10/26/252031026.db2.gz ZCDVUMBCYQIOOR-UYAOXDASSA-N 2 2 327.472 2.762 20 30 EFEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000302832203 533506443 /nfs/dbraw/zinc/50/64/43/533506443.db2.gz GRZOLAZHXKOEBQ-UHFFFAOYSA-N 2 2 329.488 2.537 20 30 EFEDLP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000302832203 533506445 /nfs/dbraw/zinc/50/64/45/533506445.db2.gz GRZOLAZHXKOEBQ-UHFFFAOYSA-N 2 2 329.488 2.537 20 30 EFEDLP N#Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000344550125 142038646 /nfs/dbraw/zinc/03/86/46/142038646.db2.gz FDJIYHGZWLXWRJ-PKOBYXMFSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000344550125 142038647 /nfs/dbraw/zinc/03/86/47/142038647.db2.gz FDJIYHGZWLXWRJ-PKOBYXMFSA-N 2 2 341.480 2.592 20 30 EFEDLP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000344106937 145369559 /nfs/dbraw/zinc/36/95/59/145369559.db2.gz QUPNGTSXYPUAMO-RTBURBONSA-N 2 2 327.472 2.926 20 30 EFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144072 145378342 /nfs/dbraw/zinc/37/83/42/145378342.db2.gz SSCKHZLESGCNEP-UTKZUKDTSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144072 145378344 /nfs/dbraw/zinc/37/83/44/145378344.db2.gz SSCKHZLESGCNEP-UTKZUKDTSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000352876648 146338525 /nfs/dbraw/zinc/33/85/25/146338525.db2.gz OHHICKXHTFKTJQ-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000352876648 146338526 /nfs/dbraw/zinc/33/85/26/146338526.db2.gz OHHICKXHTFKTJQ-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373105845 151115068 /nfs/dbraw/zinc/11/50/68/151115068.db2.gz ZXEBNKHCGYBSCP-INIZCTEOSA-N 2 2 340.427 2.559 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373105845 151115070 /nfs/dbraw/zinc/11/50/70/151115070.db2.gz ZXEBNKHCGYBSCP-INIZCTEOSA-N 2 2 340.427 2.559 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCCCC#N ZINC000272589055 286307712 /nfs/dbraw/zinc/30/77/12/286307712.db2.gz HQGWKMGUVJAWGK-ZWKOTPCHSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCCCC#N ZINC000272589055 286307715 /nfs/dbraw/zinc/30/77/15/286307715.db2.gz HQGWKMGUVJAWGK-ZWKOTPCHSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OCCCC#N ZINC000272589055 286307718 /nfs/dbraw/zinc/30/77/18/286307718.db2.gz HQGWKMGUVJAWGK-ZWKOTPCHSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OCCCC#N ZINC000272589055 286307721 /nfs/dbraw/zinc/30/77/21/286307721.db2.gz HQGWKMGUVJAWGK-ZWKOTPCHSA-N 2 2 343.471 2.904 20 30 EFEDLP CNC(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)=[NH+]C ZINC000303406222 724383375 /nfs/dbraw/zinc/38/33/75/724383375.db2.gz RDPSKHNPPHBAOG-UHFFFAOYSA-N 2 2 333.439 2.893 20 30 EFEDLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292193743 270024580 /nfs/dbraw/zinc/02/45/80/270024580.db2.gz NHUDOEOWAGTKIO-INIZCTEOSA-N 2 2 338.411 2.627 20 30 EFEDLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292193743 270024581 /nfs/dbraw/zinc/02/45/81/270024581.db2.gz NHUDOEOWAGTKIO-INIZCTEOSA-N 2 2 338.411 2.627 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423462857 270028053 /nfs/dbraw/zinc/02/80/53/270028053.db2.gz FFFOBHJYFKZGCD-RBUKOAKNSA-N 3 2 326.488 2.630 20 30 EFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000271791864 266061801 /nfs/dbraw/zinc/06/18/01/266061801.db2.gz JFTDLRHZZDVCNN-OAHLLOKOSA-N 2 2 329.444 2.626 20 30 EFEDLP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271859714 266081452 /nfs/dbraw/zinc/08/14/52/266081452.db2.gz JYOOIZULWPKGNE-FQEVSTJZSA-N 2 2 341.499 2.909 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827203 267046317 /nfs/dbraw/zinc/04/63/17/267046317.db2.gz DCUAKUHYZUWCAH-IIBYNOLFSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827203 267046318 /nfs/dbraw/zinc/04/63/18/267046318.db2.gz DCUAKUHYZUWCAH-IIBYNOLFSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000285683303 267213822 /nfs/dbraw/zinc/21/38/22/267213822.db2.gz OBCWDWIMIPIJJX-KRWDZBQOSA-N 2 2 326.488 2.849 20 30 EFEDLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000285683303 267213824 /nfs/dbraw/zinc/21/38/24/267213824.db2.gz OBCWDWIMIPIJJX-KRWDZBQOSA-N 2 2 326.488 2.849 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccsc3)CC2)cc1 ZINC000271889137 268065597 /nfs/dbraw/zinc/06/55/97/268065597.db2.gz RMTPFLROXFGMKT-LJQANCHMSA-N 2 2 341.480 2.907 20 30 EFEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573109 268113492 /nfs/dbraw/zinc/11/34/92/268113492.db2.gz VLHVKEPELFJUJN-WMZOPIPTSA-N 2 2 349.438 2.656 20 30 EFEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573109 268113494 /nfs/dbraw/zinc/11/34/94/268113494.db2.gz VLHVKEPELFJUJN-WMZOPIPTSA-N 2 2 349.438 2.656 20 30 EFEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073784 277342091 /nfs/dbraw/zinc/34/20/91/277342091.db2.gz DLPOHOPFWYTFJW-GOSISDBHSA-N 2 2 341.455 2.580 20 30 EFEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073784 277342092 /nfs/dbraw/zinc/34/20/92/277342092.db2.gz DLPOHOPFWYTFJW-GOSISDBHSA-N 2 2 341.455 2.580 20 30 EFEDLP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129429827 293133998 /nfs/dbraw/zinc/13/39/98/293133998.db2.gz ZKVAEGTWHXYBCY-YJBOKZPZSA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129429827 293133999 /nfs/dbraw/zinc/13/39/99/293133999.db2.gz ZKVAEGTWHXYBCY-YJBOKZPZSA-N 2 2 337.427 2.666 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(C#N)s3)c2cc1C ZINC000553457325 318284019 /nfs/dbraw/zinc/28/40/19/318284019.db2.gz OMDSLHWEHPEPFU-CQSZACIVSA-N 2 2 340.452 2.737 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967222 473240427 /nfs/dbraw/zinc/24/04/27/473240427.db2.gz LGGDQHIXYTXJIN-YOEHRIQHSA-N 2 2 346.862 2.566 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967222 473240432 /nfs/dbraw/zinc/24/04/32/473240432.db2.gz LGGDQHIXYTXJIN-YOEHRIQHSA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967222 473240437 /nfs/dbraw/zinc/24/04/37/473240437.db2.gz LGGDQHIXYTXJIN-YOEHRIQHSA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967222 473240441 /nfs/dbraw/zinc/24/04/41/473240441.db2.gz LGGDQHIXYTXJIN-YOEHRIQHSA-N 2 2 346.862 2.566 20 30 EFEDLP C[N@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000083033269 473317433 /nfs/dbraw/zinc/31/74/33/473317433.db2.gz ZPCHATORSWNZOP-GOSISDBHSA-N 2 2 338.455 2.547 20 30 EFEDLP C[N@@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000083033269 473317437 /nfs/dbraw/zinc/31/74/37/473317437.db2.gz ZPCHATORSWNZOP-GOSISDBHSA-N 2 2 338.455 2.547 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000083035960 473317691 /nfs/dbraw/zinc/31/76/91/473317691.db2.gz ZYIWGIDBAGFYHP-MSOLQXFVSA-N 2 2 338.455 2.717 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000631192736 479950520 /nfs/dbraw/zinc/95/05/20/479950520.db2.gz ACQPQSQWBCECMA-MJGOQNOKSA-N 2 2 339.487 2.712 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000631192736 479950523 /nfs/dbraw/zinc/95/05/23/479950523.db2.gz ACQPQSQWBCECMA-MJGOQNOKSA-N 2 2 339.487 2.712 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccccc1Cl ZINC000087168784 472313282 /nfs/dbraw/zinc/31/32/82/472313282.db2.gz HPWLKFLASJVUMM-LBPRGKRZSA-N 2 2 348.882 2.566 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000076679990 472384510 /nfs/dbraw/zinc/38/45/10/472384510.db2.gz POOTWHNNFXNWGQ-FQEVSTJZSA-N 2 2 344.499 2.715 20 30 EFEDLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000116396961 472398949 /nfs/dbraw/zinc/39/89/49/472398949.db2.gz FZEADYCLSHFGED-PBHICJAKSA-N 2 2 330.476 2.841 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154747271 472467782 /nfs/dbraw/zinc/46/77/82/472467782.db2.gz XEAQYRFNQPFGFB-IBGZPJMESA-N 2 2 335.536 2.855 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154747271 472467790 /nfs/dbraw/zinc/46/77/90/472467790.db2.gz XEAQYRFNQPFGFB-IBGZPJMESA-N 2 2 335.536 2.855 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000117875857 472482854 /nfs/dbraw/zinc/48/28/54/472482854.db2.gz GSEIIOMNVUPCBV-IBGZPJMESA-N 2 2 328.504 2.882 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000117875857 472482860 /nfs/dbraw/zinc/48/28/60/472482860.db2.gz GSEIIOMNVUPCBV-IBGZPJMESA-N 2 2 328.504 2.882 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)ccc2OCOC)CC1 ZINC000119366136 472549876 /nfs/dbraw/zinc/54/98/76/472549876.db2.gz BRCZFMHTIOHAGE-UHFFFAOYSA-N 2 2 334.460 2.808 20 30 EFEDLP NC(=[NH+]OCCCCCCO)c1ccccc1C[NH+]1CCCCC1 ZINC000131625618 472682415 /nfs/dbraw/zinc/68/24/15/472682415.db2.gz SVDMWZUSMADEPY-UHFFFAOYSA-N 2 2 333.476 2.862 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157363368 472813328 /nfs/dbraw/zinc/81/33/28/472813328.db2.gz ORSNEZHISPINTL-ROUUACIJSA-N 2 2 346.519 2.668 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157363368 472813333 /nfs/dbraw/zinc/81/33/33/472813333.db2.gz ORSNEZHISPINTL-ROUUACIJSA-N 2 2 346.519 2.668 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000106562932 472866862 /nfs/dbraw/zinc/86/68/62/472866862.db2.gz CRYNQGGGBNFKNF-MRXNPFEDSA-N 2 2 331.464 2.687 20 30 EFEDLP C[NH+]1CCC([NH+]2CCC(Nc3snc(Cl)c3C#N)CC2)CC1 ZINC000050954376 473015210 /nfs/dbraw/zinc/01/52/10/473015210.db2.gz YPHCCTWIQGPCQU-UHFFFAOYSA-N 2 2 339.896 2.639 20 30 EFEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017732 473028210 /nfs/dbraw/zinc/02/82/10/473028210.db2.gz IJHCJBXVENWMQO-HXUWFJFHSA-N 2 2 342.483 2.633 20 30 EFEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017732 473028219 /nfs/dbraw/zinc/02/82/19/473028219.db2.gz IJHCJBXVENWMQO-HXUWFJFHSA-N 2 2 342.483 2.633 20 30 EFEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C#N ZINC000190794493 473395297 /nfs/dbraw/zinc/39/52/97/473395297.db2.gz HCUGMXJCCFPOHT-UHFFFAOYSA-N 2 2 326.419 2.790 20 30 EFEDLP C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152488701 473568435 /nfs/dbraw/zinc/56/84/35/473568435.db2.gz VRIMQDWONDGKEK-OAHLLOKOSA-N 2 2 346.500 2.514 20 30 EFEDLP C[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152488701 473568441 /nfs/dbraw/zinc/56/84/41/473568441.db2.gz VRIMQDWONDGKEK-OAHLLOKOSA-N 2 2 346.500 2.514 20 30 EFEDLP C[NH+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152488701 473568444 /nfs/dbraw/zinc/56/84/44/473568444.db2.gz VRIMQDWONDGKEK-OAHLLOKOSA-N 2 2 346.500 2.514 20 30 EFEDLP C[NH+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152488701 473568448 /nfs/dbraw/zinc/56/84/48/473568448.db2.gz VRIMQDWONDGKEK-OAHLLOKOSA-N 2 2 346.500 2.514 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135496 473598253 /nfs/dbraw/zinc/59/82/53/473598253.db2.gz WUXKULQHHLWZDM-VQTJNVASSA-N 2 2 347.547 2.976 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135496 473598257 /nfs/dbraw/zinc/59/82/57/473598257.db2.gz WUXKULQHHLWZDM-VQTJNVASSA-N 2 2 347.547 2.976 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000153040448 473605179 /nfs/dbraw/zinc/60/51/79/473605179.db2.gz WJGNCKWYSVBKJM-NQIIRXRSSA-N 3 2 342.531 2.922 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000153040448 473605184 /nfs/dbraw/zinc/60/51/84/473605184.db2.gz WJGNCKWYSVBKJM-NQIIRXRSSA-N 3 2 342.531 2.922 20 30 EFEDLP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000263228158 473744550 /nfs/dbraw/zinc/74/45/50/473744550.db2.gz HGEWZJGUMTWTBF-HOTGVXAUSA-N 2 2 332.492 2.918 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000187017439 473802220 /nfs/dbraw/zinc/80/22/20/473802220.db2.gz PDNCUZLYPZZWHN-BEFAXECRSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000187017439 473802226 /nfs/dbraw/zinc/80/22/26/473802226.db2.gz PDNCUZLYPZZWHN-BEFAXECRSA-N 2 2 333.451 2.924 20 30 EFEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(C#N)s3)[nH+]c2)C1 ZINC000269483463 473821497 /nfs/dbraw/zinc/82/14/97/473821497.db2.gz GMGYZAXHJKRZOU-AWEZNQCLSA-N 2 2 327.457 2.767 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)C1=O ZINC000281936322 473889850 /nfs/dbraw/zinc/88/98/50/473889850.db2.gz IMYBCXOYHSLMKJ-APWZRJJASA-N 2 2 338.455 2.596 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009653 473916469 /nfs/dbraw/zinc/91/64/69/473916469.db2.gz OFWNHUOGEMEOJS-SXLOBPIMSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009653 473916475 /nfs/dbraw/zinc/91/64/75/473916475.db2.gz OFWNHUOGEMEOJS-SXLOBPIMSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009653 473916480 /nfs/dbraw/zinc/91/64/80/473916480.db2.gz OFWNHUOGEMEOJS-SXLOBPIMSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000282009653 473916484 /nfs/dbraw/zinc/91/64/84/473916484.db2.gz OFWNHUOGEMEOJS-SXLOBPIMSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009626 473917019 /nfs/dbraw/zinc/91/70/19/473917019.db2.gz OFWNHUOGEMEOJS-HOJAQTOUSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009626 473917027 /nfs/dbraw/zinc/91/70/27/473917027.db2.gz OFWNHUOGEMEOJS-HOJAQTOUSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009626 473917032 /nfs/dbraw/zinc/91/70/32/473917032.db2.gz OFWNHUOGEMEOJS-HOJAQTOUSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009626 473917038 /nfs/dbraw/zinc/91/70/38/473917038.db2.gz OFWNHUOGEMEOJS-HOJAQTOUSA-N 2 2 341.499 2.758 20 30 EFEDLP NC(=[NH+]OCC1CCCCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000180811997 473970799 /nfs/dbraw/zinc/97/07/99/473970799.db2.gz YQVHYYLIUVEBTA-UHFFFAOYSA-N 2 2 345.487 2.861 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C#N)o3)CC2)c1 ZINC000174257215 474014419 /nfs/dbraw/zinc/01/44/19/474014419.db2.gz BLFSYOYUVPYYJR-UHFFFAOYSA-N 2 2 338.455 2.762 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1 ZINC000249577832 474595734 /nfs/dbraw/zinc/59/57/34/474595734.db2.gz AMGFOPHPMRJFJE-ZCNNSNEGSA-N 2 2 325.456 2.680 20 30 EFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864100 474597192 /nfs/dbraw/zinc/59/71/92/474597192.db2.gz USLDNLGAVVYKDA-IIBYNOLFSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864100 474597197 /nfs/dbraw/zinc/59/71/97/474597197.db2.gz USLDNLGAVVYKDA-IIBYNOLFSA-N 2 2 335.451 2.628 20 30 EFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272324958 474608571 /nfs/dbraw/zinc/60/85/71/474608571.db2.gz QVSFAQQPIPPMGM-UHFFFAOYSA-N 2 2 331.423 2.995 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000340873378 474737873 /nfs/dbraw/zinc/73/78/73/474737873.db2.gz DRXJESKOZBOMEH-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC000340873378 474737879 /nfs/dbraw/zinc/73/78/79/474737879.db2.gz DRXJESKOZBOMEH-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000268564433 475036099 /nfs/dbraw/zinc/03/60/99/475036099.db2.gz PRVZMCVWBZZFBK-WOJBJXKFSA-N 2 2 326.488 2.743 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000268564433 475036103 /nfs/dbraw/zinc/03/61/03/475036103.db2.gz PRVZMCVWBZZFBK-WOJBJXKFSA-N 2 2 326.488 2.743 20 30 EFEDLP CCC[NH+]1CCC(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000329748952 475125111 /nfs/dbraw/zinc/12/51/11/475125111.db2.gz FVKXMYWAWKYUKU-UHFFFAOYSA-N 2 2 347.507 2.690 20 30 EFEDLP C[C@H](CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH+]1CCCCC1 ZINC000329765275 475129216 /nfs/dbraw/zinc/12/92/16/475129216.db2.gz WUDYALBHWZGVDA-SJLPKXTDSA-N 2 2 346.475 2.713 20 30 EFEDLP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000329948803 475172297 /nfs/dbraw/zinc/17/22/97/475172297.db2.gz KZOMCMJCLMPORO-CVEARBPZSA-N 2 2 333.480 2.554 20 30 EFEDLP Cc1ccc(C2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c[nH+]1 ZINC000330196713 475211440 /nfs/dbraw/zinc/21/14/40/475211440.db2.gz QTDCYMLVFDTKQN-QGZVFWFLSA-N 2 2 339.443 2.695 20 30 EFEDLP Fc1cccc(C#CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000337775209 475313514 /nfs/dbraw/zinc/31/35/14/475313514.db2.gz XDKWPZFELOMNPI-UHFFFAOYSA-N 2 2 344.353 2.813 20 30 EFEDLP Cc1cc(C)c(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000331231199 475323790 /nfs/dbraw/zinc/32/37/90/475323790.db2.gz IALFBPWWCYTJTO-GASCZTMLSA-N 2 2 334.464 2.593 20 30 EFEDLP Cc1cc(C)c(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000331231199 475323796 /nfs/dbraw/zinc/32/37/96/475323796.db2.gz IALFBPWWCYTJTO-GASCZTMLSA-N 2 2 334.464 2.593 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(C)[nH+]1 ZINC000331248616 475329872 /nfs/dbraw/zinc/32/98/72/475329872.db2.gz XDZQNAMFHOGFKI-KRWDZBQOSA-N 2 2 347.507 2.605 20 30 EFEDLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1CCOC ZINC000331296921 475334756 /nfs/dbraw/zinc/33/47/56/475334756.db2.gz CUTPNCJBGDKUHX-MRXNPFEDSA-N 2 2 334.464 2.595 20 30 EFEDLP CC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1CCOC ZINC000331296921 475334759 /nfs/dbraw/zinc/33/47/59/475334759.db2.gz CUTPNCJBGDKUHX-MRXNPFEDSA-N 2 2 334.464 2.595 20 30 EFEDLP CCC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1CCOC ZINC000331326486 475338960 /nfs/dbraw/zinc/33/89/60/475338960.db2.gz MWXKCGUKQQJFSB-QGZVFWFLSA-N 2 2 348.491 2.985 20 30 EFEDLP CCC[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1CCOC ZINC000331326486 475338970 /nfs/dbraw/zinc/33/89/70/475338970.db2.gz MWXKCGUKQQJFSB-QGZVFWFLSA-N 2 2 348.491 2.985 20 30 EFEDLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(C)[nH+]1 ZINC000331318125 475339970 /nfs/dbraw/zinc/33/99/70/475339970.db2.gz JUDAGZYMBKOLEF-MRXNPFEDSA-N 2 2 334.464 2.595 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331918381 475455336 /nfs/dbraw/zinc/45/53/36/475455336.db2.gz OACQYZHMEDSVJS-CVEARBPZSA-N 2 2 333.436 2.515 20 30 EFEDLP C=C1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000341991224 475483393 /nfs/dbraw/zinc/48/33/93/475483393.db2.gz GGSWIBRXNILGQE-UHFFFAOYSA-N 2 2 341.499 2.681 20 30 EFEDLP C=C1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000341991224 475483400 /nfs/dbraw/zinc/48/34/00/475483400.db2.gz GGSWIBRXNILGQE-UHFFFAOYSA-N 2 2 341.499 2.681 20 30 EFEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348300444 475574323 /nfs/dbraw/zinc/57/43/23/475574323.db2.gz AQBYHOHTZKAEAR-IPMKNSEASA-N 2 2 342.487 2.575 20 30 EFEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1[nH+]ccn1C ZINC000343115748 475781505 /nfs/dbraw/zinc/78/15/05/475781505.db2.gz AJQSSHWBXZNHSF-UHFFFAOYSA-N 2 2 346.504 2.518 20 30 EFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000353260821 475811864 /nfs/dbraw/zinc/81/18/64/475811864.db2.gz TZJDJQIQVUNGCZ-YADHBBJMSA-N 2 2 347.462 2.772 20 30 EFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000353260821 475811870 /nfs/dbraw/zinc/81/18/70/475811870.db2.gz TZJDJQIQVUNGCZ-YADHBBJMSA-N 2 2 347.462 2.772 20 30 EFEDLP C=CCOc1cccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000353265664 475816339 /nfs/dbraw/zinc/81/63/39/475816339.db2.gz KFPZJTCNRVIHQQ-UHFFFAOYSA-N 2 2 339.439 2.977 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000353330183 475874894 /nfs/dbraw/zinc/87/48/94/475874894.db2.gz TZWHWVGEDGYTPX-UHFFFAOYSA-N 2 2 326.444 2.501 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298458049 476100365 /nfs/dbraw/zinc/10/03/65/476100365.db2.gz OFJDIDJZROYLOI-KRWDZBQOSA-N 2 2 329.488 2.652 20 30 EFEDLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000344241464 476175400 /nfs/dbraw/zinc/17/54/00/476175400.db2.gz VTULEUVZRRKYGL-LESCRADOSA-N 2 2 330.451 2.596 20 30 EFEDLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000344241464 476175410 /nfs/dbraw/zinc/17/54/10/476175410.db2.gz VTULEUVZRRKYGL-LESCRADOSA-N 2 2 330.451 2.596 20 30 EFEDLP C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000360648193 476329220 /nfs/dbraw/zinc/32/92/20/476329220.db2.gz PUTODXGCLBNLDC-OXJNMPFZSA-N 2 2 327.472 2.884 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000362946173 476495313 /nfs/dbraw/zinc/49/53/13/476495313.db2.gz WHWAHXMTEYTLDT-OAHLLOKOSA-N 2 2 333.395 2.848 20 30 EFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225409 476518665 /nfs/dbraw/zinc/51/86/65/476518665.db2.gz SCVDITJNIVWWPD-IEBWSBKVSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225409 476518670 /nfs/dbraw/zinc/51/86/70/476518670.db2.gz SCVDITJNIVWWPD-IEBWSBKVSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225409 476518677 /nfs/dbraw/zinc/51/86/77/476518677.db2.gz SCVDITJNIVWWPD-IEBWSBKVSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225409 476518684 /nfs/dbraw/zinc/51/86/84/476518684.db2.gz SCVDITJNIVWWPD-IEBWSBKVSA-N 2 2 342.487 2.738 20 30 EFEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374979712 476620118 /nfs/dbraw/zinc/62/01/18/476620118.db2.gz METGHLWVVFQUNV-UHFFFAOYSA-N 2 2 329.444 2.506 20 30 EFEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374979712 476620122 /nfs/dbraw/zinc/62/01/22/476620122.db2.gz METGHLWVVFQUNV-UHFFFAOYSA-N 2 2 329.444 2.506 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000365630799 476655757 /nfs/dbraw/zinc/65/57/57/476655757.db2.gz PRWGBGHGBLTHGI-AWEZNQCLSA-N 2 2 343.456 2.561 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000365630799 476655760 /nfs/dbraw/zinc/65/57/60/476655760.db2.gz PRWGBGHGBLTHGI-AWEZNQCLSA-N 2 2 343.456 2.561 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000423277202 476982461 /nfs/dbraw/zinc/98/24/61/476982461.db2.gz NXBMVOCICJSHOR-AZUAARDMSA-N 3 2 326.488 2.630 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578245 477074982 /nfs/dbraw/zinc/07/49/82/477074982.db2.gz UIAZDOGXTJOTHP-RTBURBONSA-N 3 2 326.488 2.652 20 30 EFEDLP C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411419622 477229904 /nfs/dbraw/zinc/22/99/04/477229904.db2.gz TXOMTHLJZSPHGP-OALUTQOASA-N 2 2 332.536 2.808 20 30 EFEDLP C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411419622 477229905 /nfs/dbraw/zinc/22/99/05/477229905.db2.gz TXOMTHLJZSPHGP-OALUTQOASA-N 2 2 332.536 2.808 20 30 EFEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000371349379 477257844 /nfs/dbraw/zinc/25/78/44/477257844.db2.gz HYOBRRUFANMVGH-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424145654 477308516 /nfs/dbraw/zinc/30/85/16/477308516.db2.gz NYMMODWXJIHFHT-RHSMWYFYSA-N 2 2 348.878 2.566 20 30 EFEDLP C=CCCCC[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000449103286 477441158 /nfs/dbraw/zinc/44/11/58/477441158.db2.gz ALEPIDKLCSPLBG-SFHVURJKSA-N 2 2 344.503 2.845 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212850 477489914 /nfs/dbraw/zinc/48/99/14/477489914.db2.gz VOBXLDSWNNDYKY-NUVZVAJJSA-N 2 2 327.472 2.684 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212850 477489920 /nfs/dbraw/zinc/48/99/20/477489920.db2.gz VOBXLDSWNNDYKY-NUVZVAJJSA-N 2 2 327.472 2.684 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C(C)C ZINC000455462809 477644669 /nfs/dbraw/zinc/64/46/69/477644669.db2.gz DLJSZZZMOOTNHQ-YESZJQIVSA-N 2 2 345.491 2.887 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC000420619744 477761034 /nfs/dbraw/zinc/76/10/34/477761034.db2.gz APJAHGSLEOLOGT-UHFFFAOYSA-N 2 2 347.894 2.603 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC000420619744 477761039 /nfs/dbraw/zinc/76/10/39/477761039.db2.gz APJAHGSLEOLOGT-UHFFFAOYSA-N 2 2 347.894 2.603 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(C)(C)CCC#N)c2cc1C ZINC000557799574 477824627 /nfs/dbraw/zinc/82/46/27/477824627.db2.gz BMTOHQSPGNEMIY-MRXNPFEDSA-N 2 2 328.460 2.934 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459404867 477891215 /nfs/dbraw/zinc/89/12/15/477891215.db2.gz RQKILOCBPZHJPS-UHFFFAOYSA-N 2 2 325.250 2.895 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCN(c2cnccn2)CC1)C(C)C ZINC000531685290 477909654 /nfs/dbraw/zinc/90/96/54/477909654.db2.gz JEHOKODCSQCOCU-LJQANCHMSA-N 2 2 343.519 2.734 20 30 EFEDLP C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000439434385 477974676 /nfs/dbraw/zinc/97/46/76/477974676.db2.gz BZKJVGMWCLGEMZ-HNNXBMFYSA-N 2 2 346.906 2.812 20 30 EFEDLP C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000439434385 477974686 /nfs/dbraw/zinc/97/46/86/477974686.db2.gz BZKJVGMWCLGEMZ-HNNXBMFYSA-N 2 2 346.906 2.812 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000439434385 477974695 /nfs/dbraw/zinc/97/46/95/477974695.db2.gz BZKJVGMWCLGEMZ-HNNXBMFYSA-N 2 2 346.906 2.812 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000439434385 477974705 /nfs/dbraw/zinc/97/47/05/477974705.db2.gz BZKJVGMWCLGEMZ-HNNXBMFYSA-N 2 2 346.906 2.812 20 30 EFEDLP C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000439434386 477975174 /nfs/dbraw/zinc/97/51/74/477975174.db2.gz BZKJVGMWCLGEMZ-OAHLLOKOSA-N 2 2 346.906 2.812 20 30 EFEDLP C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000439434386 477975176 /nfs/dbraw/zinc/97/51/76/477975176.db2.gz BZKJVGMWCLGEMZ-OAHLLOKOSA-N 2 2 346.906 2.812 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000439434386 477975178 /nfs/dbraw/zinc/97/51/78/477975178.db2.gz BZKJVGMWCLGEMZ-OAHLLOKOSA-N 2 2 346.906 2.812 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000439434386 477975180 /nfs/dbraw/zinc/97/51/80/477975180.db2.gz BZKJVGMWCLGEMZ-OAHLLOKOSA-N 2 2 346.906 2.812 20 30 EFEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c[nH+]cn1C ZINC000439541708 478000677 /nfs/dbraw/zinc/00/06/77/478000677.db2.gz MOJZBVYXDVUFRX-UHFFFAOYSA-N 2 2 346.504 2.518 20 30 EFEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534861838 478176675 /nfs/dbraw/zinc/17/66/75/478176675.db2.gz BOCRTESLLUQXJJ-UHFFFAOYSA-N 2 2 349.438 2.858 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369530 478249278 /nfs/dbraw/zinc/24/92/78/478249278.db2.gz OUDQKRNWRAWALR-HNNXBMFYSA-N 2 2 349.438 2.857 20 30 EFEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000562477826 478254655 /nfs/dbraw/zinc/25/46/55/478254655.db2.gz QAIBOYBTUAOVGS-QGZVFWFLSA-N 2 2 343.471 2.512 20 30 EFEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000562477826 478254659 /nfs/dbraw/zinc/25/46/59/478254659.db2.gz QAIBOYBTUAOVGS-QGZVFWFLSA-N 2 2 343.471 2.512 20 30 EFEDLP COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000581111146 478373678 /nfs/dbraw/zinc/37/36/78/478373678.db2.gz BWCDZPWJEXUUPD-AZUAARDMSA-N 2 2 345.487 2.722 20 30 EFEDLP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+](C)CCC#N ZINC000581603695 478398123 /nfs/dbraw/zinc/39/81/23/478398123.db2.gz NOBRJPGJOUYOID-HKUYNNGSSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+](C)CCC#N ZINC000581603695 478398129 /nfs/dbraw/zinc/39/81/29/478398129.db2.gz NOBRJPGJOUYOID-HKUYNNGSSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000581603695 478398136 /nfs/dbraw/zinc/39/81/36/478398136.db2.gz NOBRJPGJOUYOID-HKUYNNGSSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000581603695 478398141 /nfs/dbraw/zinc/39/81/41/478398141.db2.gz NOBRJPGJOUYOID-HKUYNNGSSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+](C)CCC#N ZINC000581603698 478398549 /nfs/dbraw/zinc/39/85/49/478398549.db2.gz NOBRJPGJOUYOID-PKOBYXMFSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+](C)CCC#N ZINC000581603698 478398554 /nfs/dbraw/zinc/39/85/54/478398554.db2.gz NOBRJPGJOUYOID-PKOBYXMFSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000581603698 478398561 /nfs/dbraw/zinc/39/85/61/478398561.db2.gz NOBRJPGJOUYOID-PKOBYXMFSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000581603698 478398565 /nfs/dbraw/zinc/39/85/65/478398565.db2.gz NOBRJPGJOUYOID-PKOBYXMFSA-N 2 2 344.503 2.992 20 30 EFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594521373 478425564 /nfs/dbraw/zinc/42/55/64/478425564.db2.gz QIMDHWCSVBTRCY-AZUAARDMSA-N 2 2 325.456 2.779 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000591582322 478584447 /nfs/dbraw/zinc/58/44/47/478584447.db2.gz HXPVBXSXOLJBCN-FQEVSTJZSA-N 3 2 338.499 2.787 20 30 EFEDLP N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH+]c4n3CCC4)CC2)nc1 ZINC000594934664 478593399 /nfs/dbraw/zinc/59/33/99/478593399.db2.gz JHFGQRRCZYZAQG-UHFFFAOYSA-N 2 2 337.427 2.576 20 30 EFEDLP COc1cccc([C@H](CNc2cc(C)[nH+]cc2C#N)[NH+]2CCCC2)c1 ZINC000591817496 478639308 /nfs/dbraw/zinc/63/93/08/478639308.db2.gz LORLYISVMYSXTH-FQEVSTJZSA-N 2 2 336.439 2.941 20 30 EFEDLP Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000591819222 478640818 /nfs/dbraw/zinc/64/08/18/478640818.db2.gz VZXDFTVLMLNWMX-HZPDHXFCSA-N 2 2 328.460 2.587 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000491728133 478651607 /nfs/dbraw/zinc/65/16/07/478651607.db2.gz HFIPESGWPVFCTH-HXUWFJFHSA-N 3 2 325.500 2.728 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000491728133 478651613 /nfs/dbraw/zinc/65/16/13/478651613.db2.gz HFIPESGWPVFCTH-HXUWFJFHSA-N 3 2 325.500 2.728 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491728133 478651620 /nfs/dbraw/zinc/65/16/20/478651620.db2.gz HFIPESGWPVFCTH-HXUWFJFHSA-N 3 2 325.500 2.728 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491728133 478651627 /nfs/dbraw/zinc/65/16/27/478651627.db2.gz HFIPESGWPVFCTH-HXUWFJFHSA-N 3 2 325.500 2.728 20 30 EFEDLP C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564848886 478830599 /nfs/dbraw/zinc/83/05/99/478830599.db2.gz OKSLEOSRXIMZQL-HZPDHXFCSA-N 2 2 343.450 2.672 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(CO)cc3)CC2)cc1 ZINC000592372076 478869770 /nfs/dbraw/zinc/86/97/70/478869770.db2.gz DYRHXIKFCQDQLL-UHFFFAOYSA-N 2 2 335.451 2.805 20 30 EFEDLP N#CC[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000595623434 478896630 /nfs/dbraw/zinc/89/66/30/478896630.db2.gz PGXSXKQBGCYTCY-LJQANCHMSA-N 2 2 326.488 2.824 20 30 EFEDLP N#CC[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000595623434 478896639 /nfs/dbraw/zinc/89/66/39/478896639.db2.gz PGXSXKQBGCYTCY-LJQANCHMSA-N 2 2 326.488 2.824 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000598700417 478979172 /nfs/dbraw/zinc/97/91/72/478979172.db2.gz NGYYWKKWDIIKFM-SFHVURJKSA-N 2 2 329.488 2.714 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000598700417 478979177 /nfs/dbraw/zinc/97/91/77/478979177.db2.gz NGYYWKKWDIIKFM-SFHVURJKSA-N 2 2 329.488 2.714 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC#Cc3ccccc3)c2cc1C ZINC000566107840 479085041 /nfs/dbraw/zinc/08/50/41/479085041.db2.gz AXQGVJWEDUNVSX-IBGZPJMESA-N 2 2 333.435 2.655 20 30 EFEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000566799379 479098009 /nfs/dbraw/zinc/09/80/09/479098009.db2.gz GCMXILIBIBIAKP-UHFFFAOYSA-N 2 2 341.499 2.814 20 30 EFEDLP C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1c[nH+]ccc1N ZINC000593321299 479293314 /nfs/dbraw/zinc/29/33/14/479293314.db2.gz HWSVZRNYOLKOSO-HNNXBMFYSA-N 2 2 335.455 2.681 20 30 EFEDLP CC(C)[N@H+](CCC#N)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602447524 479338710 /nfs/dbraw/zinc/33/87/10/479338710.db2.gz JKTWBRCVPQEVEJ-UHFFFAOYSA-N 2 2 331.460 2.522 20 30 EFEDLP CC(C)[N@@H+](CCC#N)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602447524 479338715 /nfs/dbraw/zinc/33/87/15/479338715.db2.gz JKTWBRCVPQEVEJ-UHFFFAOYSA-N 2 2 331.460 2.522 20 30 EFEDLP N#CCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC000602466039 479349404 /nfs/dbraw/zinc/34/94/04/479349404.db2.gz USPBEYILMCQUBC-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP N#CCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC000602466039 479349409 /nfs/dbraw/zinc/34/94/09/479349409.db2.gz USPBEYILMCQUBC-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000611409701 479371185 /nfs/dbraw/zinc/37/11/85/479371185.db2.gz RRZYXSCKNHAJKG-HNNXBMFYSA-N 2 2 329.444 2.626 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000602505229 479371883 /nfs/dbraw/zinc/37/18/83/479371883.db2.gz VVCRFGCLTMKXPQ-HKUYNNGSSA-N 2 2 329.488 2.848 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc[nH+]c4ccncc34)CC2)c1 ZINC000593516130 479373703 /nfs/dbraw/zinc/37/37/03/479373703.db2.gz XLBCZUGCGHPWMI-UHFFFAOYSA-N 2 2 343.434 3.000 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000602518993 479379511 /nfs/dbraw/zinc/37/95/11/479379511.db2.gz CQMAPYPWXGTGML-QGZVFWFLSA-N 2 2 342.487 2.735 20 30 EFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602545558 479391263 /nfs/dbraw/zinc/39/12/63/479391263.db2.gz FONQNTUIZYQVNA-MRXNPFEDSA-N 2 2 337.508 2.564 20 30 EFEDLP C[C@@]1(C#N)CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602606767 479420307 /nfs/dbraw/zinc/42/03/07/479420307.db2.gz GPYKJIUFXZOJNS-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602606767 479420315 /nfs/dbraw/zinc/42/03/15/479420315.db2.gz GPYKJIUFXZOJNS-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP CC[NH+]1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593701904 479428450 /nfs/dbraw/zinc/42/84/50/479428450.db2.gz HGIZCYAKDFGSEM-UHFFFAOYSA-N 3 2 326.488 2.597 20 30 EFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cnn(C)c1 ZINC000593721199 479434022 /nfs/dbraw/zinc/43/40/22/479434022.db2.gz KKYZCOQHWXMHPM-HXUWFJFHSA-N 2 2 337.471 2.997 20 30 EFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCOC1 ZINC000593720070 479434056 /nfs/dbraw/zinc/43/40/56/479434056.db2.gz GBWGIULGEHUXFL-AZUAARDMSA-N 2 2 327.472 2.927 20 30 EFEDLP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000602704760 479489304 /nfs/dbraw/zinc/48/93/04/479489304.db2.gz ICQLRNOGHQRMOX-FQEVSTJZSA-N 2 2 327.472 2.927 20 30 EFEDLP COc1ccc([C@@H](CNc2cc(C)[nH+]cc2C#N)[NH+]2CCCC2)cc1 ZINC000575863246 479490769 /nfs/dbraw/zinc/49/07/69/479490769.db2.gz ZQJJGXHFOJRRTC-HXUWFJFHSA-N 2 2 336.439 2.941 20 30 EFEDLP Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000593967944 479524868 /nfs/dbraw/zinc/52/48/68/479524868.db2.gz AZVWVCCZLAQJKO-MRXNPFEDSA-N 2 2 346.438 2.775 20 30 EFEDLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000593967944 479524872 /nfs/dbraw/zinc/52/48/72/479524872.db2.gz AZVWVCCZLAQJKO-MRXNPFEDSA-N 2 2 346.438 2.775 20 30 EFEDLP Cc1nc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687901 479560115 /nfs/dbraw/zinc/56/01/15/479560115.db2.gz FCGLFCRUUVVLAJ-INIZCTEOSA-N 2 2 347.894 2.520 20 30 EFEDLP Cc1nc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687901 479560121 /nfs/dbraw/zinc/56/01/21/479560121.db2.gz FCGLFCRUUVVLAJ-INIZCTEOSA-N 2 2 347.894 2.520 20 30 EFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784333 481073746 /nfs/dbraw/zinc/07/37/46/481073746.db2.gz BVVFVTLCPKDQHJ-HSALFYBXSA-N 2 2 335.536 2.508 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)nn1 ZINC000639274847 481086248 /nfs/dbraw/zinc/08/62/48/481086248.db2.gz KUWKEEJDTYHYKC-XLIONFOSSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)nn1 ZINC000639274847 481086260 /nfs/dbraw/zinc/08/62/60/481086260.db2.gz KUWKEEJDTYHYKC-XLIONFOSSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647938661 481196829 /nfs/dbraw/zinc/19/68/29/481196829.db2.gz RGDNXGCSTGMJMR-YQQAZPJKSA-N 2 2 335.517 2.710 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647938661 481196838 /nfs/dbraw/zinc/19/68/38/481196838.db2.gz RGDNXGCSTGMJMR-YQQAZPJKSA-N 2 2 335.517 2.710 20 30 EFEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)(C)C ZINC000661760336 481294389 /nfs/dbraw/zinc/29/43/89/481294389.db2.gz RKHLSYJLOBKTTO-UHFFFAOYSA-N 2 2 335.517 2.679 20 30 EFEDLP C=CCCn1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)nn1 ZINC000653648186 481384370 /nfs/dbraw/zinc/38/43/70/481384370.db2.gz IEZRVIOMKJTKSB-UHFFFAOYSA-N 2 2 327.432 2.601 20 30 EFEDLP C=CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665944510 482117710 /nfs/dbraw/zinc/11/77/10/482117710.db2.gz QNYAQSIASGAVLZ-ROUUACIJSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665944510 482117712 /nfs/dbraw/zinc/11/77/12/482117712.db2.gz QNYAQSIASGAVLZ-ROUUACIJSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370858 482200184 /nfs/dbraw/zinc/20/01/84/482200184.db2.gz TVRVMSIJGNBSNR-KRWDZBQOSA-N 2 2 348.535 2.591 20 30 EFEDLP C=CCC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370858 482200189 /nfs/dbraw/zinc/20/01/89/482200189.db2.gz TVRVMSIJGNBSNR-KRWDZBQOSA-N 2 2 348.535 2.591 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C)C[NH2+]C)cc1OC ZINC000663507553 482271234 /nfs/dbraw/zinc/27/12/34/482271234.db2.gz RIXBKGHEDRFJQH-LLVKDONJSA-N 2 2 343.265 2.720 20 30 EFEDLP C=C(CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000358503919 534385216 /nfs/dbraw/zinc/38/52/16/534385216.db2.gz FGXOBCUXRSNUMI-IBGZPJMESA-N 2 2 328.504 2.882 20 30 EFEDLP C=C(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000358503919 534385230 /nfs/dbraw/zinc/38/52/30/534385230.db2.gz FGXOBCUXRSNUMI-IBGZPJMESA-N 2 2 328.504 2.882 20 30 EFEDLP C=CCc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000367701180 534412995 /nfs/dbraw/zinc/41/29/95/534412995.db2.gz FPMZYHFFPCQYAJ-INIZCTEOSA-N 2 2 327.428 2.852 20 30 EFEDLP C=CCc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(OC)c1O ZINC000367701180 534413006 /nfs/dbraw/zinc/41/30/06/534413006.db2.gz FPMZYHFFPCQYAJ-INIZCTEOSA-N 2 2 327.428 2.852 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000177904799 526454796 /nfs/dbraw/zinc/45/47/96/526454796.db2.gz GJZYGPWRGIQPDY-QGZVFWFLSA-N 3 2 331.504 2.928 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951779 527205517 /nfs/dbraw/zinc/20/55/17/527205517.db2.gz LFDIZTGHNPHICI-AZUAARDMSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951779 527205522 /nfs/dbraw/zinc/20/55/22/527205522.db2.gz LFDIZTGHNPHICI-AZUAARDMSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951779 527205527 /nfs/dbraw/zinc/20/55/27/527205527.db2.gz LFDIZTGHNPHICI-AZUAARDMSA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000245951779 527205530 /nfs/dbraw/zinc/20/55/30/527205530.db2.gz LFDIZTGHNPHICI-AZUAARDMSA-N 2 2 349.482 2.875 20 30 EFEDLP CC[NH+]=C(NCC1(C2CC2)CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262018469 535261075 /nfs/dbraw/zinc/26/10/75/535261075.db2.gz YGTRAVVUUNLNMO-RDJZCZTQSA-N 2 2 329.492 2.922 20 30 EFEDLP CC[NH+]=C(NCCC(F)(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261968763 535261681 /nfs/dbraw/zinc/26/16/81/535261681.db2.gz MDERQHIOIAHZMS-QWHCGFSZSA-N 2 2 331.386 2.684 20 30 EFEDLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303779893 535384375 /nfs/dbraw/zinc/38/43/75/535384375.db2.gz KYDAJRBSHSGCNN-OAHLLOKOSA-N 2 2 328.464 2.886 20 30 EFEDLP C[NH+](C)C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)Cc2ccccc2C1 ZINC000328932578 536111929 /nfs/dbraw/zinc/11/19/29/536111929.db2.gz DMJRQUDXSPIYQD-HNNXBMFYSA-N 2 2 338.455 2.501 20 30 EFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881472 536381141 /nfs/dbraw/zinc/38/11/41/536381141.db2.gz WOULLYYAJBQXIK-GOSISDBHSA-N 2 2 336.480 2.607 20 30 EFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881472 536381142 /nfs/dbraw/zinc/38/11/42/536381142.db2.gz WOULLYYAJBQXIK-GOSISDBHSA-N 2 2 336.480 2.607 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881472 536381144 /nfs/dbraw/zinc/38/11/44/536381144.db2.gz WOULLYYAJBQXIK-GOSISDBHSA-N 2 2 336.480 2.607 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)C1 ZINC000328881472 536381147 /nfs/dbraw/zinc/38/11/47/536381147.db2.gz WOULLYYAJBQXIK-GOSISDBHSA-N 2 2 336.480 2.607 20 30 EFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000658011990 547336011 /nfs/dbraw/zinc/33/60/11/547336011.db2.gz FGQLDKPFJAGZPR-DWBSNAHUSA-N 2 2 333.520 2.795 20 30 EFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000658011990 547336016 /nfs/dbraw/zinc/33/60/16/547336016.db2.gz FGQLDKPFJAGZPR-DWBSNAHUSA-N 2 2 333.520 2.795 20 30 EFEDLP CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000754857195 575503981 /nfs/dbraw/zinc/50/39/81/575503981.db2.gz BVZFVJNYNOZWOV-QGZVFWFLSA-N 2 2 338.540 2.815 20 30 EFEDLP CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000754857195 575503982 /nfs/dbraw/zinc/50/39/82/575503982.db2.gz BVZFVJNYNOZWOV-QGZVFWFLSA-N 2 2 338.540 2.815 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755790373 575635109 /nfs/dbraw/zinc/63/51/09/575635109.db2.gz SEFZICDTMVSHLG-KRWDZBQOSA-N 2 2 332.411 2.602 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755790373 575635112 /nfs/dbraw/zinc/63/51/12/575635112.db2.gz SEFZICDTMVSHLG-KRWDZBQOSA-N 2 2 332.411 2.602 20 30 EFEDLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758238042 575864229 /nfs/dbraw/zinc/86/42/29/575864229.db2.gz IWKUQJLTIRLXEW-KRWDZBQOSA-N 2 2 342.487 2.654 20 30 EFEDLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758238042 575864230 /nfs/dbraw/zinc/86/42/30/575864230.db2.gz IWKUQJLTIRLXEW-KRWDZBQOSA-N 2 2 342.487 2.654 20 30 EFEDLP Cc1ccn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(=O)c1C#N ZINC000758244095 575864523 /nfs/dbraw/zinc/86/45/23/575864523.db2.gz UWHKZPSFWJUZOD-UHFFFAOYSA-N 2 2 342.487 2.574 20 30 EFEDLP CC(C)c1[nH+]c(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c2ccccn21 ZINC000761839301 576218097 /nfs/dbraw/zinc/21/80/97/576218097.db2.gz PMHREIOHSACRQW-UHFFFAOYSA-N 2 2 346.398 2.879 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107474 577007394 /nfs/dbraw/zinc/00/73/94/577007394.db2.gz SWQPGBNAWSUBPZ-QUCCMNQESA-N 2 2 335.455 2.795 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107474 577007396 /nfs/dbraw/zinc/00/73/96/577007396.db2.gz SWQPGBNAWSUBPZ-QUCCMNQESA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107474 577007398 /nfs/dbraw/zinc/00/73/98/577007398.db2.gz SWQPGBNAWSUBPZ-QUCCMNQESA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@@H]21 ZINC000765107474 577007399 /nfs/dbraw/zinc/00/73/99/577007399.db2.gz SWQPGBNAWSUBPZ-QUCCMNQESA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000771553215 581222306 /nfs/dbraw/zinc/22/23/06/581222306.db2.gz MAYSYYSKGBBLTC-UHFFFAOYSA-N 2 2 339.399 2.793 20 30 EFEDLP CC(C)c1nccnc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000773085909 581395182 /nfs/dbraw/zinc/39/51/82/581395182.db2.gz NHWRIYLTVKCZFK-UHFFFAOYSA-N 2 2 338.459 2.798 20 30 EFEDLP C=CCCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735413529 599267880 /nfs/dbraw/zinc/26/78/80/599267880.db2.gz WHPYPLJWPRWMCL-UHFFFAOYSA-N 2 2 349.442 2.503 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354161 1252066010 /nfs/dbraw/zinc/06/60/10/1252066010.db2.gz NLZVOURXCZUYLE-OAHLLOKOSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354161 1252066020 /nfs/dbraw/zinc/06/60/20/1252066020.db2.gz NLZVOURXCZUYLE-OAHLLOKOSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354161 1252066030 /nfs/dbraw/zinc/06/60/30/1252066030.db2.gz NLZVOURXCZUYLE-OAHLLOKOSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354161 1252066036 /nfs/dbraw/zinc/06/60/36/1252066036.db2.gz NLZVOURXCZUYLE-OAHLLOKOSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001272680406 1252206845 /nfs/dbraw/zinc/20/68/45/1252206845.db2.gz VKTBSCFIXJYJCG-KRWDZBQOSA-N 2 2 338.455 2.857 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC000995818781 1254771627 /nfs/dbraw/zinc/77/16/27/1254771627.db2.gz AOMUWMCYKZHCAY-OAHLLOKOSA-N 2 2 346.862 2.835 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561928 1256140939 /nfs/dbraw/zinc/14/09/39/1256140939.db2.gz STQHIMXYMXALOK-ZHALLVOQSA-N 2 2 330.476 2.771 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561928 1256140945 /nfs/dbraw/zinc/14/09/45/1256140945.db2.gz STQHIMXYMXALOK-ZHALLVOQSA-N 2 2 330.476 2.771 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621025 1256318820 /nfs/dbraw/zinc/31/88/20/1256318820.db2.gz HVPFUSQEQMXZLH-IEBWSBKVSA-N 2 2 330.476 2.588 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621025 1256318826 /nfs/dbraw/zinc/31/88/26/1256318826.db2.gz HVPFUSQEQMXZLH-IEBWSBKVSA-N 2 2 330.476 2.588 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032544624 1258348691 /nfs/dbraw/zinc/34/86/91/1258348691.db2.gz BOEYMDHGTTZXAW-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032544624 1258348698 /nfs/dbraw/zinc/34/86/98/1258348698.db2.gz BOEYMDHGTTZXAW-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998041432 1259011319 /nfs/dbraw/zinc/01/13/19/1259011319.db2.gz OSKTYBWAMHVNIS-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998041432 1259011325 /nfs/dbraw/zinc/01/13/25/1259011325.db2.gz OSKTYBWAMHVNIS-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998041432 1259011329 /nfs/dbraw/zinc/01/13/29/1259011329.db2.gz OSKTYBWAMHVNIS-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998041432 1259011332 /nfs/dbraw/zinc/01/13/32/1259011332.db2.gz OSKTYBWAMHVNIS-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998061901 1259045063 /nfs/dbraw/zinc/04/50/63/1259045063.db2.gz AHHVBEAJHOMWGE-MRXNPFEDSA-N 2 2 326.444 2.837 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998061901 1259045070 /nfs/dbraw/zinc/04/50/70/1259045070.db2.gz AHHVBEAJHOMWGE-MRXNPFEDSA-N 2 2 326.444 2.837 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998065856 1259059778 /nfs/dbraw/zinc/05/97/78/1259059778.db2.gz XWSSTVAWBFCRBV-QGZVFWFLSA-N 2 2 338.455 2.674 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998065856 1259059788 /nfs/dbraw/zinc/05/97/88/1259059788.db2.gz XWSSTVAWBFCRBV-QGZVFWFLSA-N 2 2 338.455 2.674 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000999153863 1260274483 /nfs/dbraw/zinc/27/44/83/1260274483.db2.gz RUQCDQIEIGWQMD-OAHLLOKOSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712388 1260523141 /nfs/dbraw/zinc/52/31/41/1260523141.db2.gz WUYBNRDIODOBQD-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712388 1260523148 /nfs/dbraw/zinc/52/31/48/1260523148.db2.gz WUYBNRDIODOBQD-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000730097522 1264191546 /nfs/dbraw/zinc/19/15/46/1264191546.db2.gz DTGHMMAVTZLMGE-XLIONFOSSA-N 2 2 339.483 2.955 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000730097522 1264191555 /nfs/dbraw/zinc/19/15/55/1264191555.db2.gz DTGHMMAVTZLMGE-XLIONFOSSA-N 2 2 339.483 2.955 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000730097522 1264191560 /nfs/dbraw/zinc/19/15/60/1264191560.db2.gz DTGHMMAVTZLMGE-XLIONFOSSA-N 2 2 339.483 2.955 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000730097522 1264191562 /nfs/dbraw/zinc/19/15/62/1264191562.db2.gz DTGHMMAVTZLMGE-XLIONFOSSA-N 2 2 339.483 2.955 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001410417189 1265070052 /nfs/dbraw/zinc/07/00/52/1265070052.db2.gz DZIFFWCOCXTHFU-CQSZACIVSA-N 2 2 332.835 2.675 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cc(C)cc1[Si](C)(C)C ZINC001171068005 1278287696 /nfs/dbraw/zinc/28/76/96/1278287696.db2.gz SJFOMUYWEDJAAQ-HNNXBMFYSA-N 2 2 349.551 2.574 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500446 1267184800 /nfs/dbraw/zinc/18/48/00/1267184800.db2.gz PCMQSEOQEMTMTN-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500446 1267184804 /nfs/dbraw/zinc/18/48/04/1267184804.db2.gz PCMQSEOQEMTMTN-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004566993 1267300444 /nfs/dbraw/zinc/30/04/44/1267300444.db2.gz FXIKYSITGWPKMD-AEFFLSMTSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004566993 1267300453 /nfs/dbraw/zinc/30/04/53/1267300453.db2.gz FXIKYSITGWPKMD-AEFFLSMTSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004608705 1267394411 /nfs/dbraw/zinc/39/44/11/1267394411.db2.gz BBWUQSFBXIXLKP-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004608705 1267394423 /nfs/dbraw/zinc/39/44/23/1267394423.db2.gz BBWUQSFBXIXLKP-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609396 1267395672 /nfs/dbraw/zinc/39/56/72/1267395672.db2.gz HEDXHFXQQMXZNR-GOSISDBHSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609396 1267395684 /nfs/dbraw/zinc/39/56/84/1267395684.db2.gz HEDXHFXQQMXZNR-GOSISDBHSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596893 1267955358 /nfs/dbraw/zinc/95/53/58/1267955358.db2.gz LIMLXGIFYAEFJF-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596893 1267955367 /nfs/dbraw/zinc/95/53/67/1267955367.db2.gz LIMLXGIFYAEFJF-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033215093 1268200446 /nfs/dbraw/zinc/20/04/46/1268200446.db2.gz BHJXWOOWFRALLA-OAHLLOKOSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033215093 1268200450 /nfs/dbraw/zinc/20/04/50/1268200450.db2.gz BHJXWOOWFRALLA-OAHLLOKOSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310442 1268734837 /nfs/dbraw/zinc/73/48/37/1268734837.db2.gz UCEBSJMYMZDODJ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310442 1268734847 /nfs/dbraw/zinc/73/48/47/1268734847.db2.gz UCEBSJMYMZDODJ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803848 1268739411 /nfs/dbraw/zinc/73/94/11/1268739411.db2.gz YJRLAGZDWFVDJY-KURKYZTESA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803848 1268739417 /nfs/dbraw/zinc/73/94/17/1268739417.db2.gz YJRLAGZDWFVDJY-KURKYZTESA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033468426 1269212812 /nfs/dbraw/zinc/21/28/12/1269212812.db2.gz ZHLFBNCXTALMMU-JKSUJKDBSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033468426 1269212818 /nfs/dbraw/zinc/21/28/18/1269212818.db2.gz ZHLFBNCXTALMMU-JKSUJKDBSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C1CC(C)(C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)C1 ZINC001273134140 1270029910 /nfs/dbraw/zinc/02/99/10/1270029910.db2.gz DCFGASSJEMHBQI-UXHICEINSA-N 2 2 342.487 2.791 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033912277 1270529067 /nfs/dbraw/zinc/52/90/67/1270529067.db2.gz IMBJZUWDEKVEND-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033912277 1270529075 /nfs/dbraw/zinc/52/90/75/1270529075.db2.gz IMBJZUWDEKVEND-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033932257 1270618502 /nfs/dbraw/zinc/61/85/02/1270618502.db2.gz JZJRGNJXKXGPAC-IRXDYDNUSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932257 1270618505 /nfs/dbraw/zinc/61/85/05/1270618505.db2.gz JZJRGNJXKXGPAC-IRXDYDNUSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932257 1270618506 /nfs/dbraw/zinc/61/85/06/1270618506.db2.gz JZJRGNJXKXGPAC-IRXDYDNUSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932257 1270618508 /nfs/dbraw/zinc/61/85/08/1270618508.db2.gz JZJRGNJXKXGPAC-IRXDYDNUSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950590 1270674286 /nfs/dbraw/zinc/67/42/86/1270674286.db2.gz VSTIXUCUEZFAQB-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950590 1270674289 /nfs/dbraw/zinc/67/42/89/1270674289.db2.gz VSTIXUCUEZFAQB-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950593 1270675529 /nfs/dbraw/zinc/67/55/29/1270675529.db2.gz VSTIXUCUEZFAQB-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950593 1270675538 /nfs/dbraw/zinc/67/55/38/1270675538.db2.gz VSTIXUCUEZFAQB-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034239408 1271439797 /nfs/dbraw/zinc/43/97/97/1271439797.db2.gz KJJSIXZAAQFBQY-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034239408 1271439802 /nfs/dbraw/zinc/43/98/02/1271439802.db2.gz KJJSIXZAAQFBQY-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034239408 1271439803 /nfs/dbraw/zinc/43/98/03/1271439803.db2.gz KJJSIXZAAQFBQY-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034239408 1271439807 /nfs/dbraw/zinc/43/98/07/1271439807.db2.gz KJJSIXZAAQFBQY-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034250881 1271441704 /nfs/dbraw/zinc/44/17/04/1271441704.db2.gz YDSPWERVEZRSQV-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034250881 1271441708 /nfs/dbraw/zinc/44/17/08/1271441708.db2.gz YDSPWERVEZRSQV-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034250881 1271441712 /nfs/dbraw/zinc/44/17/12/1271441712.db2.gz YDSPWERVEZRSQV-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034250881 1271441717 /nfs/dbraw/zinc/44/17/17/1271441717.db2.gz YDSPWERVEZRSQV-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340160 1271702260 /nfs/dbraw/zinc/70/22/60/1271702260.db2.gz LXCXZJIYSCEZML-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340160 1271702263 /nfs/dbraw/zinc/70/22/63/1271702263.db2.gz LXCXZJIYSCEZML-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034366119 1271787115 /nfs/dbraw/zinc/78/71/15/1271787115.db2.gz WXPFBMJBNWVICP-OAHLLOKOSA-N 2 2 339.867 2.678 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034366119 1271787120 /nfs/dbraw/zinc/78/71/20/1271787120.db2.gz WXPFBMJBNWVICP-OAHLLOKOSA-N 2 2 339.867 2.678 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390602 1271867293 /nfs/dbraw/zinc/86/72/93/1271867293.db2.gz DWRPNYISKHNKOJ-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390602 1271867302 /nfs/dbraw/zinc/86/73/02/1271867302.db2.gz DWRPNYISKHNKOJ-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034537377 1272238675 /nfs/dbraw/zinc/23/86/75/1272238675.db2.gz AXJVDEJADNHFTL-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034537377 1272238679 /nfs/dbraw/zinc/23/86/79/1272238679.db2.gz AXJVDEJADNHFTL-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537377 1272238688 /nfs/dbraw/zinc/23/86/88/1272238688.db2.gz AXJVDEJADNHFTL-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537377 1272238696 /nfs/dbraw/zinc/23/86/96/1272238696.db2.gz AXJVDEJADNHFTL-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001108688230 1273361741 /nfs/dbraw/zinc/36/17/41/1273361741.db2.gz VMHGCPBIQIWSLD-JQHSSLGASA-N 2 2 338.455 2.802 20 30 EFEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001108688231 1273361883 /nfs/dbraw/zinc/36/18/83/1273361883.db2.gz VMHGCPBIQIWSLD-SZMVWBNQSA-N 2 2 338.455 2.802 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785658 1273472784 /nfs/dbraw/zinc/47/27/84/1273472784.db2.gz LIUKFMNGIUSVIP-BBWFWOEESA-N 2 2 332.492 2.892 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835522 1273527728 /nfs/dbraw/zinc/52/77/28/1273527728.db2.gz TXQGKRRUGPNOFG-KSZLIROESA-N 2 2 332.492 2.823 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189977 1273802916 /nfs/dbraw/zinc/80/29/16/1273802916.db2.gz FXCIDCBBVXLESP-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189977 1273802925 /nfs/dbraw/zinc/80/29/25/1273802925.db2.gz FXCIDCBBVXLESP-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189977 1273802936 /nfs/dbraw/zinc/80/29/36/1273802936.db2.gz FXCIDCBBVXLESP-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189977 1273802944 /nfs/dbraw/zinc/80/29/44/1273802944.db2.gz FXCIDCBBVXLESP-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433594 1274269565 /nfs/dbraw/zinc/26/95/65/1274269565.db2.gz UNAQTOQYJGFIKX-OWSLCNJRSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433594 1274269573 /nfs/dbraw/zinc/26/95/73/1274269573.db2.gz UNAQTOQYJGFIKX-OWSLCNJRSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440191 1274278594 /nfs/dbraw/zinc/27/85/94/1274278594.db2.gz JHWZYJISNRADOL-IKGGRYGDSA-N 2 2 330.476 2.614 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440191 1274278603 /nfs/dbraw/zinc/27/86/03/1274278603.db2.gz JHWZYJISNRADOL-IKGGRYGDSA-N 2 2 330.476 2.614 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001109462105 1274304798 /nfs/dbraw/zinc/30/47/98/1274304798.db2.gz BLLSOJSTJILTQD-QXGSTGNESA-N 2 2 342.487 2.511 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001109462105 1274304807 /nfs/dbraw/zinc/30/48/07/1274304807.db2.gz BLLSOJSTJILTQD-QXGSTGNESA-N 2 2 342.487 2.511 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001109462105 1274304821 /nfs/dbraw/zinc/30/48/21/1274304821.db2.gz BLLSOJSTJILTQD-QXGSTGNESA-N 2 2 342.487 2.511 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001109462105 1274304833 /nfs/dbraw/zinc/30/48/33/1274304833.db2.gz BLLSOJSTJILTQD-QXGSTGNESA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035720387 1274406324 /nfs/dbraw/zinc/40/63/24/1274406324.db2.gz KCZXLHCAFPNPEF-MRXNPFEDSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035720387 1274406328 /nfs/dbraw/zinc/40/63/28/1274406328.db2.gz KCZXLHCAFPNPEF-MRXNPFEDSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]ccc1OC)CC2 ZINC001035732542 1274422490 /nfs/dbraw/zinc/42/24/90/1274422490.db2.gz DTVGELVJZZSIQN-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035749935 1274467468 /nfs/dbraw/zinc/46/74/68/1274467468.db2.gz JCBHVDQOMVLLFT-UHFFFAOYSA-N 2 2 344.846 2.625 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023457 1274679728 /nfs/dbraw/zinc/67/97/28/1274679728.db2.gz YBBVDHJEOUKRSD-INIZCTEOSA-N 2 2 326.444 2.937 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001036028777 1274902378 /nfs/dbraw/zinc/90/23/78/1274902378.db2.gz FGKAXHVXRRYDIO-LRDDRELGSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001036077068 1275035920 /nfs/dbraw/zinc/03/59/20/1275035920.db2.gz MZIPPMSHUMRBFV-WFASDCNBSA-N 2 2 338.883 2.506 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@H]2CC2(Cl)Cl)cc1 ZINC000818077237 1276455561 /nfs/dbraw/zinc/45/55/61/1276455561.db2.gz GQSFPECODUVWHF-ZDUSSCGKSA-N 2 2 330.259 2.969 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896670 1276501961 /nfs/dbraw/zinc/50/19/61/1276501961.db2.gz ZARQCBUUHIJLSJ-QAPCUYQASA-N 2 2 347.507 2.631 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896670 1276501964 /nfs/dbraw/zinc/50/19/64/1276501964.db2.gz ZARQCBUUHIJLSJ-QAPCUYQASA-N 2 2 347.507 2.631 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819023831 1276593042 /nfs/dbraw/zinc/59/30/42/1276593042.db2.gz JZLXFKKECUVVFO-MRXNPFEDSA-N 2 2 339.277 2.723 20 30 EFEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529552 1278010886 /nfs/dbraw/zinc/01/08/86/1278010886.db2.gz VLCUSXUXSRIPNB-LJQANCHMSA-N 2 2 329.488 2.790 20 30 EFEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529552 1278010891 /nfs/dbraw/zinc/01/08/91/1278010891.db2.gz VLCUSXUXSRIPNB-LJQANCHMSA-N 2 2 329.488 2.790 20 30 EFEDLP C=CC[N@H+](CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O)C1CC1 ZINC000844698152 1279208355 /nfs/dbraw/zinc/20/83/55/1279208355.db2.gz LQPOJJAVQUFWLI-ICSRJNTNSA-N 2 2 339.483 2.575 20 30 EFEDLP C=CC[N@@H+](CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O)C1CC1 ZINC000844698152 1279208358 /nfs/dbraw/zinc/20/83/58/1279208358.db2.gz LQPOJJAVQUFWLI-ICSRJNTNSA-N 2 2 339.483 2.575 20 30 EFEDLP C=CC[NH+](CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O)C1CC1 ZINC000844698152 1279208362 /nfs/dbraw/zinc/20/83/62/1279208362.db2.gz LQPOJJAVQUFWLI-ICSRJNTNSA-N 2 2 339.483 2.575 20 30 EFEDLP C=CC[NH+](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O)C1CC1 ZINC000844698152 1279208364 /nfs/dbraw/zinc/20/83/64/1279208364.db2.gz LQPOJJAVQUFWLI-ICSRJNTNSA-N 2 2 339.483 2.575 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001171212908 1280030395 /nfs/dbraw/zinc/03/03/95/1280030395.db2.gz ROVJWOONHSPLDP-DUXKGJEZSA-N 2 2 346.478 2.948 20 30 EFEDLP Cc1cc(N2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)nc(C)[nH+]1 ZINC001171220922 1280111368 /nfs/dbraw/zinc/11/13/68/1280111368.db2.gz FOWKYGPQQIAFMN-MRXNPFEDSA-N 2 2 335.455 2.718 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175631303 1287495394 /nfs/dbraw/zinc/49/53/94/1287495394.db2.gz YGLBOAKZFGLTGK-JSGCOSHPSA-N 2 2 326.872 2.605 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175631303 1287495398 /nfs/dbraw/zinc/49/53/98/1287495398.db2.gz YGLBOAKZFGLTGK-JSGCOSHPSA-N 2 2 326.872 2.605 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418295 1281551119 /nfs/dbraw/zinc/55/11/19/1281551119.db2.gz FUOAZJSVRJSCCC-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418295 1281551126 /nfs/dbraw/zinc/55/11/26/1281551126.db2.gz FUOAZJSVRJSCCC-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418295 1281551135 /nfs/dbraw/zinc/55/11/35/1281551135.db2.gz FUOAZJSVRJSCCC-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418295 1281551142 /nfs/dbraw/zinc/55/11/42/1281551142.db2.gz FUOAZJSVRJSCCC-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418294 1281552109 /nfs/dbraw/zinc/55/21/09/1281552109.db2.gz FUOAZJSVRJSCCC-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001148418294 1281552116 /nfs/dbraw/zinc/55/21/16/1281552116.db2.gz FUOAZJSVRJSCCC-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418294 1281552125 /nfs/dbraw/zinc/55/21/25/1281552125.db2.gz FUOAZJSVRJSCCC-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148418294 1281552136 /nfs/dbraw/zinc/55/21/36/1281552136.db2.gz FUOAZJSVRJSCCC-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672169 1281725390 /nfs/dbraw/zinc/72/53/90/1281725390.db2.gz CLWVZOIJGJWWNB-UHFFFAOYSA-N 2 2 332.492 2.765 20 30 EFEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672169 1281725401 /nfs/dbraw/zinc/72/54/01/1281725401.db2.gz CLWVZOIJGJWWNB-UHFFFAOYSA-N 2 2 332.492 2.765 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672551 1281726510 /nfs/dbraw/zinc/72/65/10/1281726510.db2.gz JPAHRAQERRMCKW-UHFFFAOYSA-N 2 2 330.476 2.541 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672551 1281726521 /nfs/dbraw/zinc/72/65/21/1281726521.db2.gz JPAHRAQERRMCKW-UHFFFAOYSA-N 2 2 330.476 2.541 20 30 EFEDLP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055446 1287531751 /nfs/dbraw/zinc/53/17/51/1287531751.db2.gz FTJHMIHEIHVVBV-DLBZAZTESA-N 2 2 334.508 2.972 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926275 1281946662 /nfs/dbraw/zinc/94/66/62/1281946662.db2.gz TZAAQGASHGWMIS-MRXNPFEDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926275 1281946669 /nfs/dbraw/zinc/94/66/69/1281946669.db2.gz TZAAQGASHGWMIS-MRXNPFEDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948433 1281957579 /nfs/dbraw/zinc/95/75/79/1281957579.db2.gz YFHKXQPEQWQFJV-DLBZAZTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948433 1281957587 /nfs/dbraw/zinc/95/75/87/1281957587.db2.gz YFHKXQPEQWQFJV-DLBZAZTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945584 1281979085 /nfs/dbraw/zinc/97/90/85/1281979085.db2.gz FGUDNVMBHWXFFO-IAGOWNOFSA-N 2 2 330.476 2.723 20 30 EFEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001086929352 1281993364 /nfs/dbraw/zinc/99/33/64/1281993364.db2.gz FLLOBQNSSPKKNQ-HNNXBMFYSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954183 1282022067 /nfs/dbraw/zinc/02/20/67/1282022067.db2.gz FAWZAVRMZMDYHS-HNNXBMFYSA-N 2 2 330.476 2.540 20 30 EFEDLP C#Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809646152 1282364592 /nfs/dbraw/zinc/36/45/92/1282364592.db2.gz UZWQOPMTLDLYFN-JOCHJYFZSA-N 2 2 334.463 2.737 20 30 EFEDLP C#Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809646152 1282364599 /nfs/dbraw/zinc/36/45/99/1282364599.db2.gz UZWQOPMTLDLYFN-JOCHJYFZSA-N 2 2 334.463 2.737 20 30 EFEDLP C#Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809646152 1282364606 /nfs/dbraw/zinc/36/46/06/1282364606.db2.gz UZWQOPMTLDLYFN-JOCHJYFZSA-N 2 2 334.463 2.737 20 30 EFEDLP C#Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809646152 1282364613 /nfs/dbraw/zinc/36/46/13/1282364613.db2.gz UZWQOPMTLDLYFN-JOCHJYFZSA-N 2 2 334.463 2.737 20 30 EFEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001170620625 1283830115 /nfs/dbraw/zinc/83/01/15/1283830115.db2.gz GMCSZRJVZAMJRO-ZKVMEDDXSA-N 2 2 336.505 2.953 20 30 EFEDLP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380060 1283840977 /nfs/dbraw/zinc/84/09/77/1283840977.db2.gz PRTXHHKZMGQADD-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380060 1283840989 /nfs/dbraw/zinc/84/09/89/1283840989.db2.gz PRTXHHKZMGQADD-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671466 /nfs/dbraw/zinc/67/14/66/1287671466.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671473 /nfs/dbraw/zinc/67/14/73/1287671473.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671484 /nfs/dbraw/zinc/67/14/84/1287671484.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671489 /nfs/dbraw/zinc/67/14/89/1287671489.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000815652532 1287672196 /nfs/dbraw/zinc/67/21/96/1287672196.db2.gz HAKMKGPKOSMHJD-OAHLLOKOSA-N 2 2 332.444 2.687 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000815652532 1287672197 /nfs/dbraw/zinc/67/21/97/1287672197.db2.gz HAKMKGPKOSMHJD-OAHLLOKOSA-N 2 2 332.444 2.687 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548844 1283909813 /nfs/dbraw/zinc/90/98/13/1283909813.db2.gz KHWKQFJZEZYFRY-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548844 1283909823 /nfs/dbraw/zinc/90/98/23/1283909823.db2.gz KHWKQFJZEZYFRY-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132823431 1284333892 /nfs/dbraw/zinc/33/38/92/1284333892.db2.gz FWNNISQQHRFWEF-WMLDXEAASA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919805 1284467403 /nfs/dbraw/zinc/46/74/03/1284467403.db2.gz NGXYTHLMKWYHGZ-GDBMZVCRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132921227 1284469098 /nfs/dbraw/zinc/46/90/98/1284469098.db2.gz YDSCYSSUBLZBKP-AEFFLSMTSA-N 2 2 346.519 2.967 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135709 1284850525 /nfs/dbraw/zinc/85/05/25/1284850525.db2.gz VTOVGLFIPGSHMU-DLBZAZTESA-N 2 2 334.508 2.997 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133246285 1285047447 /nfs/dbraw/zinc/04/74/47/1285047447.db2.gz TVBNOGKWSKFYIU-JKSUJKDBSA-N 2 2 332.492 2.728 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449927 1285120754 /nfs/dbraw/zinc/12/07/54/1285120754.db2.gz ZXLZWPMOQJRKOE-UYAOXDASSA-N 2 2 336.439 2.561 20 30 EFEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449927 1285120759 /nfs/dbraw/zinc/12/07/59/1285120759.db2.gz ZXLZWPMOQJRKOE-UYAOXDASSA-N 2 2 336.439 2.561 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363221 1285265119 /nfs/dbraw/zinc/26/51/19/1285265119.db2.gz FSJYAXCXCDPUCO-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001133405528 1285358167 /nfs/dbraw/zinc/35/81/67/1285358167.db2.gz CRKZXMXITZLFIH-UHFFFAOYSA-N 2 2 346.862 2.800 20 30 EFEDLP C#CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000812757409 1285403901 /nfs/dbraw/zinc/40/39/01/1285403901.db2.gz FQBXNRGNVUKBIZ-IBGZPJMESA-N 2 2 328.456 2.758 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171597037 1285669204 /nfs/dbraw/zinc/66/92/04/1285669204.db2.gz UROCPSRZXKHBLL-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171603833 1285672994 /nfs/dbraw/zinc/67/29/94/1285672994.db2.gz CRHORZLXXWMCTD-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171603835 1285673760 /nfs/dbraw/zinc/67/37/60/1285673760.db2.gz CRHORZLXXWMCTD-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141754 1289042081 /nfs/dbraw/zinc/04/20/81/1289042081.db2.gz LOLWZMCJALKZJE-JYJNAYRXSA-N 2 2 326.444 2.882 20 30 EFEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CCCC#N)CC2)cc1 ZINC001172478110 1286143613 /nfs/dbraw/zinc/14/36/13/1286143613.db2.gz BQPDLOLAATZFDC-SFHVURJKSA-N 2 2 344.503 2.879 20 30 EFEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001094922982 1286181680 /nfs/dbraw/zinc/18/16/80/1286181680.db2.gz KWQXVSWRTYNXHV-SZMVWBNQSA-N 2 2 338.455 2.802 20 30 EFEDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972448 1286361759 /nfs/dbraw/zinc/36/17/59/1286361759.db2.gz ZJBHKBOFALECOL-CVEARBPZSA-N 2 2 338.496 2.600 20 30 EFEDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972448 1286361763 /nfs/dbraw/zinc/36/17/63/1286361763.db2.gz ZJBHKBOFALECOL-CVEARBPZSA-N 2 2 338.496 2.600 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134375962 1286611408 /nfs/dbraw/zinc/61/14/08/1286611408.db2.gz GNMLVRIXYUTKJJ-OLZOCXBDSA-N 2 2 334.851 2.882 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728991 1288086523 /nfs/dbraw/zinc/08/65/23/1288086523.db2.gz SYXPUQZXNBYRDX-MRXNPFEDSA-N 2 2 349.544 2.947 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728991 1288086529 /nfs/dbraw/zinc/08/65/29/1288086529.db2.gz SYXPUQZXNBYRDX-MRXNPFEDSA-N 2 2 349.544 2.947 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769331 1288126450 /nfs/dbraw/zinc/12/64/50/1288126450.db2.gz JWDZZPVPYFKNOP-AEFFLSMTSA-N 2 2 332.492 2.525 20 30 EFEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177065218 1288250384 /nfs/dbraw/zinc/25/03/84/1288250384.db2.gz XLKPKZVLONUGED-SFHVURJKSA-N 2 2 332.492 2.527 20 30 EFEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170841384 1288256857 /nfs/dbraw/zinc/25/68/57/1288256857.db2.gz ITHLDHPHRSKVPD-KZNAEPCWSA-N 2 2 344.503 2.605 20 30 EFEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170841383 1288257260 /nfs/dbraw/zinc/25/72/60/1288257260.db2.gz ITHLDHPHRSKVPD-FGTMMUONSA-N 2 2 344.503 2.605 20 30 EFEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339560 1288398512 /nfs/dbraw/zinc/39/85/12/1288398512.db2.gz KBAVAOHFQXNPQZ-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339560 1288398518 /nfs/dbraw/zinc/39/85/18/1288398518.db2.gz KBAVAOHFQXNPQZ-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001177419776 1288425884 /nfs/dbraw/zinc/42/58/84/1288425884.db2.gz MWPLRNMBELPHNY-QZTJIDSGSA-N 2 2 344.503 2.708 20 30 EFEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001178770653 1288889357 /nfs/dbraw/zinc/88/93/57/1288889357.db2.gz MQEXNURSDNLRFH-GOSISDBHSA-N 2 2 332.492 2.760 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178865045 1288947596 /nfs/dbraw/zinc/94/75/96/1288947596.db2.gz NTBJEBUPUZXNIJ-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165838346 1312690960 /nfs/dbraw/zinc/69/09/60/1312690960.db2.gz ZKSUZVFZMPUDLV-DLBZAZTESA-N 2 2 344.503 2.676 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001180386618 1289503147 /nfs/dbraw/zinc/50/31/47/1289503147.db2.gz GMCBOMWTTVVZQP-SFHVURJKSA-N 2 2 332.492 2.527 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138663 1312736353 /nfs/dbraw/zinc/73/63/53/1312736353.db2.gz PPPBLFPLAXVIHW-UHFFFAOYSA-N 2 2 326.444 2.790 20 30 EFEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820813 1289961986 /nfs/dbraw/zinc/96/19/86/1289961986.db2.gz UPXPGRKNMZUBDP-QWFCFKBJSA-N 2 2 344.503 2.568 20 30 EFEDLP CCC[NH+](CCC)CCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678750 1312759500 /nfs/dbraw/zinc/75/95/00/1312759500.db2.gz ONDOTVQWGSADLO-UHFFFAOYSA-N 2 2 344.503 2.503 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855286 1290259882 /nfs/dbraw/zinc/25/98/82/1290259882.db2.gz GUFXXYJJCJIJJI-FRQCXROJSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855286 1290259888 /nfs/dbraw/zinc/25/98/88/1290259888.db2.gz GUFXXYJJCJIJJI-FRQCXROJSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001183576769 1290370461 /nfs/dbraw/zinc/37/04/61/1290370461.db2.gz SIRQFPAKVCPTHI-QGZVFWFLSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651422 1290488996 /nfs/dbraw/zinc/48/89/96/1290488996.db2.gz FLBQYDHAXRFIIO-WMZOPIPTSA-N 2 2 346.519 2.967 20 30 EFEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184850750 1290527132 /nfs/dbraw/zinc/52/71/32/1290527132.db2.gz FWBKJCMELRUVPO-CRAIPNDOSA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCCC[NH+]1CCC2(CCC(=O)N(Cc3c[nH+]cn3C)C2)CC1 ZINC001273493394 1290543861 /nfs/dbraw/zinc/54/38/61/1290543861.db2.gz XYWYUQDIRUENHE-UHFFFAOYSA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCCCC[NH+]1CCC2(CCC(=O)N(Cc3c[nH+]cn3C)C2)CC1 ZINC001273500122 1290626506 /nfs/dbraw/zinc/62/65/06/1290626506.db2.gz JTRWRRJMWQFKCH-UHFFFAOYSA-N 2 2 344.503 2.981 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185490515 1290703906 /nfs/dbraw/zinc/70/39/06/1290703906.db2.gz AYSIAQCWRVFHGY-JSGCOSHPSA-N 2 2 338.883 2.514 20 30 EFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(C#N)n3)CC2)cc1 ZINC000877066888 1291124268 /nfs/dbraw/zinc/12/42/68/1291124268.db2.gz WONRBPHYXZGKEW-UHFFFAOYSA-N 2 2 335.455 2.778 20 30 EFEDLP COC1CC[NH+](C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)CC1 ZINC001233083701 1312852498 /nfs/dbraw/zinc/85/24/98/1312852498.db2.gz XQTGUCWXRGNOLI-UHFFFAOYSA-N 2 2 327.472 2.942 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126199 1291508448 /nfs/dbraw/zinc/50/84/48/1291508448.db2.gz UQGHQNRXAUMOJQ-CTNGQTDRSA-N 2 2 339.483 2.845 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126199 1291508454 /nfs/dbraw/zinc/50/84/54/1291508454.db2.gz UQGHQNRXAUMOJQ-CTNGQTDRSA-N 2 2 339.483 2.845 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586903 1291811443 /nfs/dbraw/zinc/81/14/43/1291811443.db2.gz ZPZDOCIIWPYVBB-UHFFFAOYSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618809 1291896350 /nfs/dbraw/zinc/89/63/50/1291896350.db2.gz IFKNNCAPHDEIGX-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618809 1291896361 /nfs/dbraw/zinc/89/63/61/1291896361.db2.gz IFKNNCAPHDEIGX-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049463804 1312888301 /nfs/dbraw/zinc/88/83/01/1312888301.db2.gz JNBNPUKIFTVIOX-BBWFWOEESA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049463804 1312888306 /nfs/dbraw/zinc/88/83/06/1312888306.db2.gz JNBNPUKIFTVIOX-BBWFWOEESA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049463804 1312888310 /nfs/dbraw/zinc/88/83/10/1312888310.db2.gz JNBNPUKIFTVIOX-BBWFWOEESA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049463804 1312888313 /nfs/dbraw/zinc/88/83/13/1312888313.db2.gz JNBNPUKIFTVIOX-BBWFWOEESA-N 2 2 339.911 2.677 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000957636014 1291934951 /nfs/dbraw/zinc/93/49/51/1291934951.db2.gz SMIHDTKUMVKPKU-UHFFFAOYSA-N 2 2 344.503 2.968 20 30 EFEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203230481 1312892852 /nfs/dbraw/zinc/89/28/52/1312892852.db2.gz MVPAIRUWKGDOAI-RBUKOAKNSA-N 2 2 348.450 2.526 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819605 1292328115 /nfs/dbraw/zinc/32/81/15/1292328115.db2.gz YZYFPNTXKRIXNL-ROUUACIJSA-N 2 2 332.492 2.969 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819605 1292328124 /nfs/dbraw/zinc/32/81/24/1292328124.db2.gz YZYFPNTXKRIXNL-ROUUACIJSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878557 1292360478 /nfs/dbraw/zinc/36/04/78/1292360478.db2.gz JFXZGUGUBWLYEK-WBVHZDCISA-N 2 2 331.460 2.520 20 30 EFEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878557 1292360483 /nfs/dbraw/zinc/36/04/83/1292360483.db2.gz JFXZGUGUBWLYEK-WBVHZDCISA-N 2 2 331.460 2.520 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989536 1292416433 /nfs/dbraw/zinc/41/64/33/1292416433.db2.gz PWLQCLZVVOGHRW-QZTJIDSGSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989536 1292416437 /nfs/dbraw/zinc/41/64/37/1292416437.db2.gz PWLQCLZVVOGHRW-QZTJIDSGSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008857 1292420988 /nfs/dbraw/zinc/42/09/88/1292420988.db2.gz CEMHOERIFGZXJH-ROUUACIJSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008857 1292420993 /nfs/dbraw/zinc/42/09/93/1292420993.db2.gz CEMHOERIFGZXJH-ROUUACIJSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010830 1292424264 /nfs/dbraw/zinc/42/42/64/1292424264.db2.gz QSRYIZWKAWNOQJ-ROUUACIJSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010830 1292424270 /nfs/dbraw/zinc/42/42/70/1292424270.db2.gz QSRYIZWKAWNOQJ-ROUUACIJSA-N 2 2 346.519 2.949 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012324 1292425623 /nfs/dbraw/zinc/42/56/23/1292425623.db2.gz XMIGNGMDHZALLP-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012324 1292425627 /nfs/dbraw/zinc/42/56/27/1292425627.db2.gz XMIGNGMDHZALLP-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203531063 1312947781 /nfs/dbraw/zinc/94/77/81/1312947781.db2.gz OISYKSHSIYNUDB-HOTGVXAUSA-N 2 2 332.492 2.940 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203540205 1312950760 /nfs/dbraw/zinc/95/07/60/1312950760.db2.gz UIIBDGUZQTZWLL-CVEARBPZSA-N 2 2 330.476 2.716 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605340 1312968567 /nfs/dbraw/zinc/96/85/67/1312968567.db2.gz KKVAODZTEFAALC-ZWKOTPCHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780107 1293036912 /nfs/dbraw/zinc/03/69/12/1293036912.db2.gz ZPLJDNKVKAYHOO-AEFFLSMTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780107 1293036898 /nfs/dbraw/zinc/03/68/98/1293036898.db2.gz ZPLJDNKVKAYHOO-AEFFLSMTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780107 1293036922 /nfs/dbraw/zinc/03/69/22/1293036922.db2.gz ZPLJDNKVKAYHOO-AEFFLSMTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780107 1293036931 /nfs/dbraw/zinc/03/69/31/1293036931.db2.gz ZPLJDNKVKAYHOO-AEFFLSMTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544836 1312990980 /nfs/dbraw/zinc/99/09/80/1312990980.db2.gz GPJMGZHNPHUDNW-ZWKOTPCHSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544836 1312990984 /nfs/dbraw/zinc/99/09/84/1312990984.db2.gz GPJMGZHNPHUDNW-ZWKOTPCHSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544830 1312991638 /nfs/dbraw/zinc/99/16/38/1312991638.db2.gz GPJMGZHNPHUDNW-MSOLQXFVSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544830 1312991640 /nfs/dbraw/zinc/99/16/40/1312991640.db2.gz GPJMGZHNPHUDNW-MSOLQXFVSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424336 1293302904 /nfs/dbraw/zinc/30/29/04/1293302904.db2.gz MHDBWFOFLMUIEH-ROUUACIJSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424336 1293302905 /nfs/dbraw/zinc/30/29/05/1293302905.db2.gz MHDBWFOFLMUIEH-ROUUACIJSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424336 1293302912 /nfs/dbraw/zinc/30/29/12/1293302912.db2.gz MHDBWFOFLMUIEH-ROUUACIJSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424336 1293302916 /nfs/dbraw/zinc/30/29/16/1293302916.db2.gz MHDBWFOFLMUIEH-ROUUACIJSA-N 2 2 349.906 2.965 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545900 1312993298 /nfs/dbraw/zinc/99/32/98/1312993298.db2.gz NTGPIQFGNIZRTF-IAGOWNOFSA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545900 1312993301 /nfs/dbraw/zinc/99/33/01/1312993301.db2.gz NTGPIQFGNIZRTF-IAGOWNOFSA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194226870 1293560826 /nfs/dbraw/zinc/56/08/26/1293560826.db2.gz HFPFCOMCKQMAFV-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194226870 1293560832 /nfs/dbraw/zinc/56/08/32/1293560832.db2.gz HFPFCOMCKQMAFV-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001194226870 1293560839 /nfs/dbraw/zinc/56/08/39/1293560839.db2.gz HFPFCOMCKQMAFV-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001194226870 1293560843 /nfs/dbraw/zinc/56/08/43/1293560843.db2.gz HFPFCOMCKQMAFV-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP CCc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000303768635 1294578782 /nfs/dbraw/zinc/57/87/82/1294578782.db2.gz ALWHPUREZRHISA-HUUCEWRRSA-N 2 2 332.492 2.863 20 30 EFEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000303779983 1294579181 /nfs/dbraw/zinc/57/91/81/1294579181.db2.gz LASRHPQVWNWUGN-GOSISDBHSA-N 2 2 346.519 2.895 20 30 EFEDLP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000303776122 1294580451 /nfs/dbraw/zinc/58/04/51/1294580451.db2.gz HMDDIGPQFHZTEO-SFHVURJKSA-N 2 2 348.491 2.557 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303894451 1294599586 /nfs/dbraw/zinc/59/95/86/1294599586.db2.gz OVKPMJGZYILLGH-KRWDZBQOSA-N 2 2 330.407 2.864 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625849 1313104522 /nfs/dbraw/zinc/10/45/22/1313104522.db2.gz IJBKKGTWAVQBOE-RBUKOAKNSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625849 1313104526 /nfs/dbraw/zinc/10/45/26/1313104526.db2.gz IJBKKGTWAVQBOE-RBUKOAKNSA-N 2 2 336.439 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198351504 1295026222 /nfs/dbraw/zinc/02/62/22/1295026222.db2.gz POFGWBUVYQQHNV-UHFFFAOYSA-N 2 2 327.900 2.539 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198351504 1295026233 /nfs/dbraw/zinc/02/62/33/1295026233.db2.gz POFGWBUVYQQHNV-UHFFFAOYSA-N 2 2 327.900 2.539 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435972 1313128442 /nfs/dbraw/zinc/12/84/42/1313128442.db2.gz MUXDVRZOAOHPFM-SJLPKXTDSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435972 1313128443 /nfs/dbraw/zinc/12/84/43/1313128443.db2.gz MUXDVRZOAOHPFM-SJLPKXTDSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC1(O)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000886778589 1295149041 /nfs/dbraw/zinc/14/90/41/1295149041.db2.gz IZVVYMJCICLATP-FQEVSTJZSA-N 2 2 344.499 2.681 20 30 EFEDLP C=CCC1(O)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000886778589 1295149046 /nfs/dbraw/zinc/14/90/46/1295149046.db2.gz IZVVYMJCICLATP-FQEVSTJZSA-N 2 2 344.499 2.681 20 30 EFEDLP C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235004551 1313221364 /nfs/dbraw/zinc/22/13/64/1313221364.db2.gz AIDHSUBXTUALGU-HXUWFJFHSA-N 2 2 330.472 2.844 20 30 EFEDLP C=C(C)COc1ccccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235004551 1313221367 /nfs/dbraw/zinc/22/13/67/1313221367.db2.gz AIDHSUBXTUALGU-HXUWFJFHSA-N 2 2 330.472 2.844 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758034 1313266667 /nfs/dbraw/zinc/26/66/67/1313266667.db2.gz FYQYOEDXRFNQSO-FGTMMUONSA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758034 1313266671 /nfs/dbraw/zinc/26/66/71/1313266671.db2.gz FYQYOEDXRFNQSO-FGTMMUONSA-N 2 2 330.476 2.866 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205432997 1313287732 /nfs/dbraw/zinc/28/77/32/1313287732.db2.gz KGPJOMHRLCAWNZ-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205432997 1313287735 /nfs/dbraw/zinc/28/77/35/1313287735.db2.gz KGPJOMHRLCAWNZ-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201300970 1296712176 /nfs/dbraw/zinc/71/21/76/1296712176.db2.gz HLCPCAQYFKCBLY-QGZVFWFLSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049782903 1313296385 /nfs/dbraw/zinc/29/63/85/1313296385.db2.gz RWWPJKBIRZECLH-RYQLBKOJSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049782903 1313296389 /nfs/dbraw/zinc/29/63/89/1313296389.db2.gz RWWPJKBIRZECLH-RYQLBKOJSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049782903 1313296393 /nfs/dbraw/zinc/29/63/93/1313296393.db2.gz RWWPJKBIRZECLH-RYQLBKOJSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049782903 1313296396 /nfs/dbraw/zinc/29/63/96/1313296396.db2.gz RWWPJKBIRZECLH-RYQLBKOJSA-N 2 2 330.476 2.620 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001201335820 1296749835 /nfs/dbraw/zinc/74/98/35/1296749835.db2.gz KXNXCAANRVKQCD-GOEBONIOSA-N 2 2 344.503 2.758 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001201335820 1296749848 /nfs/dbraw/zinc/74/98/48/1296749848.db2.gz KXNXCAANRVKQCD-GOEBONIOSA-N 2 2 344.503 2.758 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](CCCC#N)C3)C2)cc1C#N ZINC001277943471 1313316480 /nfs/dbraw/zinc/31/64/80/1313316480.db2.gz WSXOGKPNQDPXTM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](CCCC#N)C3)C2)cc1C#N ZINC001277943471 1313316484 /nfs/dbraw/zinc/31/64/84/1313316484.db2.gz WSXOGKPNQDPXTM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](CCCC#N)C3)C2)cc1C#N ZINC001277943471 1313316488 /nfs/dbraw/zinc/31/64/88/1313316488.db2.gz WSXOGKPNQDPXTM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](CCCC#N)C3)C2)cc1C#N ZINC001277943471 1313316492 /nfs/dbraw/zinc/31/64/92/1313316492.db2.gz WSXOGKPNQDPXTM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235466105 1313330434 /nfs/dbraw/zinc/33/04/34/1313330434.db2.gz IQKJTDQQDSWUQB-TZIWHRDSSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235466105 1313330438 /nfs/dbraw/zinc/33/04/38/1313330438.db2.gz IQKJTDQQDSWUQB-TZIWHRDSSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522561 1313343628 /nfs/dbraw/zinc/34/36/28/1313343628.db2.gz QFWHZCRTDWDJHQ-NJDAHSKKSA-N 2 2 344.499 2.630 20 30 EFEDLP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522561 1313343632 /nfs/dbraw/zinc/34/36/32/1313343632.db2.gz QFWHZCRTDWDJHQ-NJDAHSKKSA-N 2 2 344.499 2.630 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632335 1313362484 /nfs/dbraw/zinc/36/24/84/1313362484.db2.gz GLSONKHQEXQFQC-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632335 1313362486 /nfs/dbraw/zinc/36/24/86/1313362486.db2.gz GLSONKHQEXQFQC-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632338 1313362948 /nfs/dbraw/zinc/36/29/48/1313362948.db2.gz GLSONKHQEXQFQC-ROUUACIJSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632338 1313362951 /nfs/dbraw/zinc/36/29/51/1313362951.db2.gz GLSONKHQEXQFQC-ROUUACIJSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202447350 1297387202 /nfs/dbraw/zinc/38/72/02/1297387202.db2.gz MNICJBBKMMMMSQ-GOEBONIOSA-N 2 2 330.476 2.765 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847670 1313382779 /nfs/dbraw/zinc/38/27/79/1313382779.db2.gz ZCEFOVJFWKNUDP-IAGOWNOFSA-N 2 2 348.878 2.579 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847670 1313382783 /nfs/dbraw/zinc/38/27/83/1313382783.db2.gz ZCEFOVJFWKNUDP-IAGOWNOFSA-N 2 2 348.878 2.579 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235800241 1313399553 /nfs/dbraw/zinc/39/95/53/1313399553.db2.gz ZCHLXDLUMYWWHZ-SJORKVTESA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235800241 1313399556 /nfs/dbraw/zinc/39/95/56/1313399556.db2.gz ZCHLXDLUMYWWHZ-SJORKVTESA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325043 1313436643 /nfs/dbraw/zinc/43/66/43/1313436643.db2.gz CPABDEYFRBPLND-KBAYOESNSA-N 2 2 344.503 2.707 20 30 EFEDLP C#CCOc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236477839 1313485730 /nfs/dbraw/zinc/48/57/30/1313485730.db2.gz PCVJTQOGOXCZBE-GOSISDBHSA-N 2 2 330.472 2.917 20 30 EFEDLP C#CCOc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236477839 1313485733 /nfs/dbraw/zinc/48/57/33/1313485733.db2.gz PCVJTQOGOXCZBE-GOSISDBHSA-N 2 2 330.472 2.917 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193897 1298288304 /nfs/dbraw/zinc/28/83/04/1298288304.db2.gz GCROVHRBIIBXBB-ZWKOTPCHSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193897 1298288315 /nfs/dbraw/zinc/28/83/15/1298288315.db2.gz GCROVHRBIIBXBB-ZWKOTPCHSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193895 1298288421 /nfs/dbraw/zinc/28/84/21/1298288421.db2.gz GCROVHRBIIBXBB-QZTJIDSGSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193895 1298288432 /nfs/dbraw/zinc/28/84/32/1298288432.db2.gz GCROVHRBIIBXBB-QZTJIDSGSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000961210390 1298332286 /nfs/dbraw/zinc/33/22/86/1298332286.db2.gz JZCVXZBKNSSXPF-IAGOWNOFSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000961210390 1298332295 /nfs/dbraw/zinc/33/22/95/1298332295.db2.gz JZCVXZBKNSSXPF-IAGOWNOFSA-N 2 2 338.455 2.694 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CO1 ZINC001236582966 1313494043 /nfs/dbraw/zinc/49/40/43/1313494043.db2.gz SINAYMTUEBMSEH-WMZOPIPTSA-N 2 2 329.444 2.516 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CO1 ZINC001236582966 1313494044 /nfs/dbraw/zinc/49/40/44/1313494044.db2.gz SINAYMTUEBMSEH-WMZOPIPTSA-N 2 2 329.444 2.516 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961222034 1298356063 /nfs/dbraw/zinc/35/60/63/1298356063.db2.gz WPIRLBUIOIRBST-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961222034 1298356077 /nfs/dbraw/zinc/35/60/77/1298356077.db2.gz WPIRLBUIOIRBST-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001206761860 1313503638 /nfs/dbraw/zinc/50/36/38/1313503638.db2.gz KQGHETZVUFWCPI-UHFFFAOYSA-N 2 2 338.455 2.890 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259106 1298438705 /nfs/dbraw/zinc/43/87/05/1298438705.db2.gz GBVYQYYNVPEIJP-IAGOWNOFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259106 1298438706 /nfs/dbraw/zinc/43/87/06/1298438706.db2.gz GBVYQYYNVPEIJP-IAGOWNOFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961430963 1298735765 /nfs/dbraw/zinc/73/57/65/1298735765.db2.gz GSPADOJAJPBXPI-QGZVFWFLSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961430963 1298735770 /nfs/dbraw/zinc/73/57/70/1298735770.db2.gz GSPADOJAJPBXPI-QGZVFWFLSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961454444 1298763704 /nfs/dbraw/zinc/76/37/04/1298763704.db2.gz HKJXTCOGMOKGRE-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961454444 1298763712 /nfs/dbraw/zinc/76/37/12/1298763712.db2.gz HKJXTCOGMOKGRE-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905750 1313546733 /nfs/dbraw/zinc/54/67/33/1313546733.db2.gz MCJIODNHWFDHHF-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017838936 1313549615 /nfs/dbraw/zinc/54/96/15/1313549615.db2.gz FSBLUSUKRJIQCC-OTWHNJEPSA-N 2 2 331.504 2.645 20 30 EFEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017838936 1313549618 /nfs/dbraw/zinc/54/96/18/1313549618.db2.gz FSBLUSUKRJIQCC-OTWHNJEPSA-N 2 2 331.504 2.645 20 30 EFEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838936 1313549623 /nfs/dbraw/zinc/54/96/23/1313549623.db2.gz FSBLUSUKRJIQCC-OTWHNJEPSA-N 2 2 331.504 2.645 20 30 EFEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001017838936 1313549627 /nfs/dbraw/zinc/54/96/27/1313549627.db2.gz FSBLUSUKRJIQCC-OTWHNJEPSA-N 2 2 331.504 2.645 20 30 EFEDLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1C#N ZINC001207103979 1313613582 /nfs/dbraw/zinc/61/35/82/1313613582.db2.gz DYJXMJZSJHPHNX-HZPDHXFCSA-N 2 2 326.469 2.522 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024309 1313646002 /nfs/dbraw/zinc/64/60/02/1313646002.db2.gz QYKVHVYILBBWBA-CALCHBBNSA-N 2 2 330.476 2.648 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024309 1313646006 /nfs/dbraw/zinc/64/60/06/1313646006.db2.gz QYKVHVYILBBWBA-CALCHBBNSA-N 2 2 330.476 2.648 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325895 1300605463 /nfs/dbraw/zinc/60/54/63/1300605463.db2.gz SVXBYESHFKJLDB-QZTJIDSGSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325895 1300605471 /nfs/dbraw/zinc/60/54/71/1300605471.db2.gz SVXBYESHFKJLDB-QZTJIDSGSA-N 2 2 344.503 2.816 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336413 1300629772 /nfs/dbraw/zinc/62/97/72/1300629772.db2.gz FAWGYQFQOMRIEQ-RBUKOAKNSA-N 2 2 339.483 2.957 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336413 1300629777 /nfs/dbraw/zinc/62/97/77/1300629777.db2.gz FAWGYQFQOMRIEQ-RBUKOAKNSA-N 2 2 339.483 2.957 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000963337733 1300634957 /nfs/dbraw/zinc/63/49/57/1300634957.db2.gz HHDQQBZOZFACBX-UHFFFAOYSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365708 1300698909 /nfs/dbraw/zinc/69/89/09/1300698909.db2.gz HBFREMUAIQAMCT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365708 1300698919 /nfs/dbraw/zinc/69/89/19/1300698919.db2.gz HBFREMUAIQAMCT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387962 1300749836 /nfs/dbraw/zinc/74/98/36/1300749836.db2.gz XILSAKVILXTDRN-IAGOWNOFSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387962 1300749844 /nfs/dbraw/zinc/74/98/44/1300749844.db2.gz XILSAKVILXTDRN-IAGOWNOFSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401225 1300770811 /nfs/dbraw/zinc/77/08/11/1300770811.db2.gz FQVDVZDITVPKIU-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401225 1300770823 /nfs/dbraw/zinc/77/08/23/1300770823.db2.gz FQVDVZDITVPKIU-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001018156883 1313718190 /nfs/dbraw/zinc/71/81/90/1313718190.db2.gz DVNHJFWVUHPCOX-SVFBPWRDSA-N 2 2 341.499 2.715 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001018156883 1313718194 /nfs/dbraw/zinc/71/81/94/1313718194.db2.gz DVNHJFWVUHPCOX-SVFBPWRDSA-N 2 2 341.499 2.715 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437613 1300855835 /nfs/dbraw/zinc/85/58/35/1300855835.db2.gz BIUOGGJLBKZBEV-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437613 1300855855 /nfs/dbraw/zinc/85/58/55/1300855855.db2.gz BIUOGGJLBKZBEV-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000964032033 1301627671 /nfs/dbraw/zinc/62/76/71/1301627671.db2.gz JBCZKVFYJXEEDA-UHFFFAOYSA-N 2 2 344.846 2.946 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048702 1313834014 /nfs/dbraw/zinc/83/40/14/1313834014.db2.gz JWWKNRMGSDRKTE-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C[NH+](C)CC1(C[NH+]2CCN(c3ccccc3C#N)CC2)CCCC1 ZINC001208182421 1313863722 /nfs/dbraw/zinc/86/37/22/1313863722.db2.gz RCQAPDZKWZYKHQ-UHFFFAOYSA-N 2 2 326.488 2.802 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407964 1313922283 /nfs/dbraw/zinc/92/22/83/1313922283.db2.gz PFQIWMRHYYEXPL-SFHVURJKSA-N 2 2 345.487 2.960 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435916 1313928280 /nfs/dbraw/zinc/92/82/80/1313928280.db2.gz RBIGJKDFZLTMOP-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447196 1313930205 /nfs/dbraw/zinc/93/02/05/1313930205.db2.gz KIFQIOHROFOCGK-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450757 1313931509 /nfs/dbraw/zinc/93/15/09/1313931509.db2.gz KLZVOQVRDKNFNT-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208450226 1313931591 /nfs/dbraw/zinc/93/15/91/1313931591.db2.gz BTEAJFOUNWIZAM-QZTJIDSGSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001037855993 1303723593 /nfs/dbraw/zinc/72/35/93/1303723593.db2.gz QKQDODCAFBTORZ-DOTOQJQBSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001037880708 1304129974 /nfs/dbraw/zinc/12/99/74/1304129974.db2.gz LAGDNCKDPYZPJJ-CVEARBPZSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001097375236 1314002694 /nfs/dbraw/zinc/00/26/94/1314002694.db2.gz LYPUQGBTAZWWJZ-SFUIVIKGSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001097375236 1314002697 /nfs/dbraw/zinc/00/26/97/1314002697.db2.gz LYPUQGBTAZWWJZ-SFUIVIKGSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001097375236 1314002700 /nfs/dbraw/zinc/00/27/00/1314002700.db2.gz LYPUQGBTAZWWJZ-SFUIVIKGSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001097375236 1314002703 /nfs/dbraw/zinc/00/27/03/1314002703.db2.gz LYPUQGBTAZWWJZ-SFUIVIKGSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397459 1304944762 /nfs/dbraw/zinc/94/47/62/1304944762.db2.gz PCYMGFDWSKOYOB-WBMJQRKESA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397459 1304944765 /nfs/dbraw/zinc/94/47/65/1304944765.db2.gz PCYMGFDWSKOYOB-WBMJQRKESA-N 2 2 332.835 2.527 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498909 1305081565 /nfs/dbraw/zinc/08/15/65/1305081565.db2.gz PPURGYYHHFOLQV-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498909 1305081569 /nfs/dbraw/zinc/08/15/69/1305081569.db2.gz PPURGYYHHFOLQV-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001114456361 1305241084 /nfs/dbraw/zinc/24/10/84/1305241084.db2.gz SUIIWWUGHBMEGA-PIIMJCKOSA-N 2 2 346.519 2.943 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001114456361 1305241090 /nfs/dbraw/zinc/24/10/90/1305241090.db2.gz SUIIWWUGHBMEGA-PIIMJCKOSA-N 2 2 346.519 2.943 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208922188 1314046990 /nfs/dbraw/zinc/04/69/90/1314046990.db2.gz CZDRMSXTAUCNOV-PMACEKPBSA-N 2 2 332.451 2.560 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496452 1306399417 /nfs/dbraw/zinc/39/94/17/1306399417.db2.gz BULVGKYTCZZYBG-PBHICJAKSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496452 1306399421 /nfs/dbraw/zinc/39/94/21/1306399421.db2.gz BULVGKYTCZZYBG-PBHICJAKSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674041 1306557553 /nfs/dbraw/zinc/55/75/53/1306557553.db2.gz OFUIOZPKADVMBD-RDTXWAMCSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674041 1306557554 /nfs/dbraw/zinc/55/75/54/1306557554.db2.gz OFUIOZPKADVMBD-RDTXWAMCSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680895 1306562728 /nfs/dbraw/zinc/56/27/28/1306562728.db2.gz DZDVESYYVRUXMU-KBXCAEBGSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680895 1306562732 /nfs/dbraw/zinc/56/27/32/1306562732.db2.gz DZDVESYYVRUXMU-KBXCAEBGSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001097592998 1314139026 /nfs/dbraw/zinc/13/90/26/1314139026.db2.gz CTMXZPADUSUWKN-QRVBRYPASA-N 2 2 336.439 2.784 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001097592998 1314139029 /nfs/dbraw/zinc/13/90/29/1314139029.db2.gz CTMXZPADUSUWKN-QRVBRYPASA-N 2 2 336.439 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968855948 1306725989 /nfs/dbraw/zinc/72/59/89/1306725989.db2.gz CFXLJGVRLSIDRP-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855948 1306725994 /nfs/dbraw/zinc/72/59/94/1306725994.db2.gz CFXLJGVRLSIDRP-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855948 1306725999 /nfs/dbraw/zinc/72/59/99/1306725999.db2.gz CFXLJGVRLSIDRP-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855948 1306726004 /nfs/dbraw/zinc/72/60/04/1306726004.db2.gz CFXLJGVRLSIDRP-IRXDYDNUSA-N 2 2 341.927 2.973 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351279 1314145575 /nfs/dbraw/zinc/14/55/75/1314145575.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351279 1314145577 /nfs/dbraw/zinc/14/55/77/1314145577.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351279 1314145580 /nfs/dbraw/zinc/14/55/80/1314145580.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351279 1314145583 /nfs/dbraw/zinc/14/55/83/1314145583.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 2 334.508 2.995 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968917300 1306792278 /nfs/dbraw/zinc/79/22/78/1306792278.db2.gz SIVWNQITZRLMIK-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968917300 1306792282 /nfs/dbraw/zinc/79/22/82/1306792282.db2.gz SIVWNQITZRLMIK-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022426 1306899917 /nfs/dbraw/zinc/89/99/17/1306899917.db2.gz DPARAILVURYWNT-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022426 1306899921 /nfs/dbraw/zinc/89/99/21/1306899921.db2.gz DPARAILVURYWNT-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000900000834 1307585536 /nfs/dbraw/zinc/58/55/36/1307585536.db2.gz WRISAJFAWSFOFG-QGZVFWFLSA-N 2 2 342.443 2.925 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045797695 1307647324 /nfs/dbraw/zinc/64/73/24/1307647324.db2.gz VYXXXZGKCJVISN-QYZOEREBSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045797695 1307647327 /nfs/dbraw/zinc/64/73/27/1307647327.db2.gz VYXXXZGKCJVISN-QYZOEREBSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045797695 1307647330 /nfs/dbraw/zinc/64/73/30/1307647330.db2.gz VYXXXZGKCJVISN-QYZOEREBSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045797695 1307647333 /nfs/dbraw/zinc/64/73/33/1307647333.db2.gz VYXXXZGKCJVISN-QYZOEREBSA-N 2 2 345.531 2.586 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209699024 1314219194 /nfs/dbraw/zinc/21/91/94/1314219194.db2.gz GRGFFJAVCYLRJO-RCCFBDPRSA-N 2 2 344.503 2.851 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935495 1307934032 /nfs/dbraw/zinc/93/40/32/1307934032.db2.gz NSNLFZPHYXLTRT-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935495 1307934037 /nfs/dbraw/zinc/93/40/37/1307934037.db2.gz NSNLFZPHYXLTRT-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045954509 1307988800 /nfs/dbraw/zinc/98/88/00/1307988800.db2.gz AFWGKCCPQOXMKY-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045954509 1307988807 /nfs/dbraw/zinc/98/88/07/1307988807.db2.gz AFWGKCCPQOXMKY-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045955152 1307991397 /nfs/dbraw/zinc/99/13/97/1307991397.db2.gz PKNZUYQCCABQAE-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045955152 1307991403 /nfs/dbraw/zinc/99/14/03/1307991403.db2.gz PKNZUYQCCABQAE-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969307 1308031230 /nfs/dbraw/zinc/03/12/30/1308031230.db2.gz NXDYFNJWXPYNJN-UYAOXDASSA-N 2 2 342.487 2.562 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969307 1308031235 /nfs/dbraw/zinc/03/12/35/1308031235.db2.gz NXDYFNJWXPYNJN-UYAOXDASSA-N 2 2 342.487 2.562 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009606708 1308583844 /nfs/dbraw/zinc/58/38/44/1308583844.db2.gz ANZULFNDDFHKJY-KRWDZBQOSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009606708 1308583846 /nfs/dbraw/zinc/58/38/46/1308583846.db2.gz ANZULFNDDFHKJY-KRWDZBQOSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001047241762 1310394028 /nfs/dbraw/zinc/39/40/28/1310394028.db2.gz UHHYAUDMXCTISZ-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047257042 1310431676 /nfs/dbraw/zinc/43/16/76/1310431676.db2.gz FOPAOIGQCZFPRB-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047257042 1310431680 /nfs/dbraw/zinc/43/16/80/1310431680.db2.gz FOPAOIGQCZFPRB-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001047265220 1310458263 /nfs/dbraw/zinc/45/82/63/1310458263.db2.gz GBQBINAPPILXOR-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221713950 1311017553 /nfs/dbraw/zinc/01/75/53/1311017553.db2.gz GSZDRHDIMDPHJR-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221713950 1311017555 /nfs/dbraw/zinc/01/75/55/1311017555.db2.gz GSZDRHDIMDPHJR-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945358 1311058029 /nfs/dbraw/zinc/05/80/29/1311058029.db2.gz KZNSSWSIQRVGRL-IAGOWNOFSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945358 1311058032 /nfs/dbraw/zinc/05/80/32/1311058032.db2.gz KZNSSWSIQRVGRL-IAGOWNOFSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001223259279 1311233632 /nfs/dbraw/zinc/23/36/32/1311233632.db2.gz OCHLEKHHJOMNMP-UHFFFAOYSA-N 2 2 344.503 2.556 20 30 EFEDLP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001101598552 1311253298 /nfs/dbraw/zinc/25/32/98/1311253298.db2.gz UETDEKLRTFGDLL-UHFFFAOYSA-N 2 2 344.503 2.541 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001223660731 1311288180 /nfs/dbraw/zinc/28/81/80/1311288180.db2.gz DODDOQABGZUQST-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001223668867 1311289590 /nfs/dbraw/zinc/28/95/90/1311289590.db2.gz NEGJNZABJWTLTA-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806427 1311391871 /nfs/dbraw/zinc/39/18/71/1311391871.db2.gz JLLSQXQMVGFZEI-GOSISDBHSA-N 2 2 332.492 2.632 20 30 EFEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806427 1311391875 /nfs/dbraw/zinc/39/18/75/1311391875.db2.gz JLLSQXQMVGFZEI-GOSISDBHSA-N 2 2 332.492 2.632 20 30 EFEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158948982 1311422471 /nfs/dbraw/zinc/42/24/71/1311422471.db2.gz CHZJJXVVBIMHOW-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158948982 1311422475 /nfs/dbraw/zinc/42/24/75/1311422475.db2.gz CHZJJXVVBIMHOW-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749260 1311774114 /nfs/dbraw/zinc/77/41/14/1311774114.db2.gz ZCOJQBYYYWUVPU-QGZVFWFLSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749260 1311774117 /nfs/dbraw/zinc/77/41/17/1311774117.db2.gz ZCOJQBYYYWUVPU-QGZVFWFLSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749259 1311774128 /nfs/dbraw/zinc/77/41/28/1311774128.db2.gz ZCOJQBYYYWUVPU-KRWDZBQOSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749259 1311774131 /nfs/dbraw/zinc/77/41/31/1311774131.db2.gz ZCOJQBYYYWUVPU-KRWDZBQOSA-N 2 2 344.503 2.846 20 30 EFEDLP C#CCC[N@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160761206 1311775952 /nfs/dbraw/zinc/77/59/52/1311775952.db2.gz ODTQMNPITJRXKE-UHFFFAOYSA-N 2 2 325.456 2.782 20 30 EFEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160761206 1311775955 /nfs/dbraw/zinc/77/59/55/1311775955.db2.gz ODTQMNPITJRXKE-UHFFFAOYSA-N 2 2 325.456 2.782 20 30 EFEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227637023 1311834570 /nfs/dbraw/zinc/83/45/70/1311834570.db2.gz OXPWGJBIFAKCOV-QZTJIDSGSA-N 2 2 345.487 2.840 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227672999 1311837195 /nfs/dbraw/zinc/83/71/95/1311837195.db2.gz GUSKSKZNNGGEBU-BRWVUGGUSA-N 2 2 332.492 2.724 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001227947051 1311877543 /nfs/dbraw/zinc/87/75/43/1311877543.db2.gz KNSNDLAHWGLBDY-INIZCTEOSA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001228032818 1311890640 /nfs/dbraw/zinc/89/06/40/1311890640.db2.gz LTBOWMVRCOVANU-QGZVFWFLSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562714 1311907998 /nfs/dbraw/zinc/90/79/98/1311907998.db2.gz REEWZIDDKVAUDF-YYIAUSFCSA-N 2 2 342.487 2.765 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562714 1311908001 /nfs/dbraw/zinc/90/80/01/1311908001.db2.gz REEWZIDDKVAUDF-YYIAUSFCSA-N 2 2 342.487 2.765 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249470 1311920431 /nfs/dbraw/zinc/92/04/31/1311920431.db2.gz LYJSZEXJECCPMM-HNNXBMFYSA-N 2 2 326.444 2.883 20 30 EFEDLP CCCCCCC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228415484 1311944288 /nfs/dbraw/zinc/94/42/88/1311944288.db2.gz OFZLBHUBJHMJOR-UHFFFAOYSA-N 2 2 334.508 2.904 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228528730 1311961264 /nfs/dbraw/zinc/96/12/64/1311961264.db2.gz JQKOOEFVSRXNHS-ARFHVFGLSA-N 2 2 330.476 2.813 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529915 1311961651 /nfs/dbraw/zinc/96/16/51/1311961651.db2.gz ZAJKMVHGFXWWHU-ARFHVFGLSA-N 2 2 330.476 2.813 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001229139299 1312052600 /nfs/dbraw/zinc/05/26/00/1312052600.db2.gz MXTQHCDXDNDRHJ-HOCLYGCPSA-N 2 2 330.476 2.765 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162395925 1312098044 /nfs/dbraw/zinc/09/80/44/1312098044.db2.gz GMCSZRJVZAMJRO-FNJRXMHLSA-N 2 2 336.505 2.953 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230019368 1312172709 /nfs/dbraw/zinc/17/27/09/1312172709.db2.gz VZJKXPXVAXYTDM-KBAYOESNSA-N 2 2 332.492 2.724 20 30 EFEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001162827408 1312185726 /nfs/dbraw/zinc/18/57/26/1312185726.db2.gz WZPWTRHWUGSYQD-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001162827408 1312185728 /nfs/dbraw/zinc/18/57/28/1312185728.db2.gz WZPWTRHWUGSYQD-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP CCCCCCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230170730 1312198230 /nfs/dbraw/zinc/19/82/30/1312198230.db2.gz FLMGLPWXUOXEQB-UHFFFAOYSA-N 2 2 334.508 2.904 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230166395 1312198490 /nfs/dbraw/zinc/19/84/90/1312198490.db2.gz JYUPGGTYGSOYHI-UHFFFAOYSA-N 2 2 332.492 2.680 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434247 1312242196 /nfs/dbraw/zinc/24/21/96/1312242196.db2.gz CUSOSOWORAQWDU-UHFFFAOYSA-N 2 2 332.492 2.990 20 30 EFEDLP N#Cc1ccc2cc[nH+]c(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)c2c1 ZINC001163131017 1312247690 /nfs/dbraw/zinc/24/76/90/1312247690.db2.gz JUGFZYFHSJFFMP-UHFFFAOYSA-N 2 2 331.423 2.653 20 30 EFEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001163262062 1312276264 /nfs/dbraw/zinc/27/62/64/1312276264.db2.gz VEUIXEWUXKPJNO-VLCLJQEXSA-N 2 2 348.516 2.681 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628612 1312289971 /nfs/dbraw/zinc/28/99/71/1312289971.db2.gz KFAFXDNLQNMZLK-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628612 1312289974 /nfs/dbraw/zinc/28/99/74/1312289974.db2.gz KFAFXDNLQNMZLK-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP Cc1c(C#N)c(NCC2([NH+](C)C)CC[NH+](C)CC2)nc2ccccc12 ZINC001164211847 1312469126 /nfs/dbraw/zinc/46/91/26/1312469126.db2.gz UBWCUPTXCIZDBL-UHFFFAOYSA-N 2 2 337.471 2.853 20 30 EFEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164536110 1312535344 /nfs/dbraw/zinc/53/53/44/1312535344.db2.gz FPGFQTOBAYSIKZ-UHFFFAOYSA-N 2 2 346.862 2.885 20 30 EFEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245985271 1314558867 /nfs/dbraw/zinc/55/88/67/1314558867.db2.gz PXFKNNIEEVJUGK-IRXDYDNUSA-N 2 2 342.524 2.913 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246066054 1314578106 /nfs/dbraw/zinc/57/81/06/1314578106.db2.gz QRZJCUVBYLQAHF-RBUKOAKNSA-N 2 2 326.525 2.942 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246066054 1314578111 /nfs/dbraw/zinc/57/81/11/1314578111.db2.gz QRZJCUVBYLQAHF-RBUKOAKNSA-N 2 2 326.525 2.942 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206547 1314597050 /nfs/dbraw/zinc/59/70/50/1314597050.db2.gz GZCUZLPSNQGFBK-YOEHRIQHSA-N 2 2 331.460 2.528 20 30 EFEDLP CCCCCCCCC[NH2+][C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246243069 1314601148 /nfs/dbraw/zinc/60/11/48/1314601148.db2.gz PIUVCAUXUGLVLH-HOTGVXAUSA-N 2 2 327.538 2.590 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057370 1314649422 /nfs/dbraw/zinc/64/94/22/1314649422.db2.gz IPZXRSYDMOTQFF-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057370 1314649425 /nfs/dbraw/zinc/64/94/25/1314649425.db2.gz IPZXRSYDMOTQFF-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672775 1314723381 /nfs/dbraw/zinc/72/33/81/1314723381.db2.gz WVKQBGXGJJMWCG-SOLBZPMBSA-N 2 2 344.503 2.553 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105402 1314727530 /nfs/dbraw/zinc/72/75/30/1314727530.db2.gz OGBQAQMRFVBILW-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105402 1314727535 /nfs/dbraw/zinc/72/75/35/1314727535.db2.gz OGBQAQMRFVBILW-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106094 1314729071 /nfs/dbraw/zinc/72/90/71/1314729071.db2.gz XEAHSAPOYAXZOQ-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106094 1314729074 /nfs/dbraw/zinc/72/90/74/1314729074.db2.gz XEAHSAPOYAXZOQ-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106082 1314729327 /nfs/dbraw/zinc/72/93/27/1314729327.db2.gz XEAHSAPOYAXZOQ-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106082 1314729330 /nfs/dbraw/zinc/72/93/30/1314729330.db2.gz XEAHSAPOYAXZOQ-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000303768727 1314735726 /nfs/dbraw/zinc/73/57/26/1314735726.db2.gz APIKXXOCAXLDNB-SFHVURJKSA-N 2 2 332.492 2.859 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001054041441 1315208561 /nfs/dbraw/zinc/20/85/61/1315208561.db2.gz MBQQWKZVNOPQHF-VQTJNVASSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001054041441 1315208566 /nfs/dbraw/zinc/20/85/66/1315208566.db2.gz MBQQWKZVNOPQHF-VQTJNVASSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001054041441 1315208572 /nfs/dbraw/zinc/20/85/72/1315208572.db2.gz MBQQWKZVNOPQHF-VQTJNVASSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001054041441 1315208578 /nfs/dbraw/zinc/20/85/78/1315208578.db2.gz MBQQWKZVNOPQHF-VQTJNVASSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001054042618 1315210559 /nfs/dbraw/zinc/21/05/59/1315210559.db2.gz DFHDVGOJULNRSM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001054042618 1315210564 /nfs/dbraw/zinc/21/05/64/1315210564.db2.gz DFHDVGOJULNRSM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001054042618 1315210568 /nfs/dbraw/zinc/21/05/68/1315210568.db2.gz DFHDVGOJULNRSM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001054042618 1315210572 /nfs/dbraw/zinc/21/05/72/1315210572.db2.gz DFHDVGOJULNRSM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001054045234 1315216227 /nfs/dbraw/zinc/21/62/27/1315216227.db2.gz NNEKVOUUWVVXIM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001054045234 1315216233 /nfs/dbraw/zinc/21/62/33/1315216233.db2.gz NNEKVOUUWVVXIM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045234 1315216237 /nfs/dbraw/zinc/21/62/37/1315216237.db2.gz NNEKVOUUWVVXIM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045234 1315216242 /nfs/dbraw/zinc/21/62/42/1315216242.db2.gz NNEKVOUUWVVXIM-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP CCc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc(CC)c1C#N ZINC001219114860 1315282493 /nfs/dbraw/zinc/28/24/93/1315282493.db2.gz QRZUMVLWBWXDLX-LJQANCHMSA-N 2 2 336.439 2.894 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151893 1315376317 /nfs/dbraw/zinc/37/63/17/1315376317.db2.gz UVYHWHWVDBWQKL-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151893 1315376321 /nfs/dbraw/zinc/37/63/21/1315376321.db2.gz UVYHWHWVDBWQKL-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220664078 1315437961 /nfs/dbraw/zinc/43/79/61/1315437961.db2.gz VUPUMQMGBPKCST-KDOFPFPSSA-N 2 2 339.439 2.701 20 30 EFEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220664080 1315438254 /nfs/dbraw/zinc/43/82/54/1315438254.db2.gz VUPUMQMGBPKCST-RDTXWAMCSA-N 2 2 339.439 2.701 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195821 1315438885 /nfs/dbraw/zinc/43/88/85/1315438885.db2.gz PHDGTNOPGDKEGT-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195821 1315438888 /nfs/dbraw/zinc/43/88/88/1315438888.db2.gz PHDGTNOPGDKEGT-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252989571 1315546598 /nfs/dbraw/zinc/54/65/98/1315546598.db2.gz QQFXZWONSORFDE-GOSISDBHSA-N 2 2 328.541 2.924 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039160461 1315557255 /nfs/dbraw/zinc/55/72/55/1315557255.db2.gz RDFBYCHEZNHREF-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039160461 1315557260 /nfs/dbraw/zinc/55/72/60/1315557260.db2.gz RDFBYCHEZNHREF-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039160461 1315557263 /nfs/dbraw/zinc/55/72/63/1315557263.db2.gz RDFBYCHEZNHREF-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039160461 1315557269 /nfs/dbraw/zinc/55/72/69/1315557269.db2.gz RDFBYCHEZNHREF-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161367 1315559018 /nfs/dbraw/zinc/55/90/18/1315559018.db2.gz IQHDOXUHVGXRBR-IEBWSBKVSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161367 1315559021 /nfs/dbraw/zinc/55/90/21/1315559021.db2.gz IQHDOXUHVGXRBR-IEBWSBKVSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161369 1315559131 /nfs/dbraw/zinc/55/91/31/1315559131.db2.gz IQHDOXUHVGXRBR-PKOBYXMFSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161369 1315559133 /nfs/dbraw/zinc/55/91/33/1315559133.db2.gz IQHDOXUHVGXRBR-PKOBYXMFSA-N 2 2 344.503 2.971 20 30 EFEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215969 1315633795 /nfs/dbraw/zinc/63/37/95/1315633795.db2.gz ZHNNTGGEWANHSL-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215969 1315633798 /nfs/dbraw/zinc/63/37/98/1315633798.db2.gz ZHNNTGGEWANHSL-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230620 1315653370 /nfs/dbraw/zinc/65/33/70/1315653370.db2.gz SAOPMHPFIOSABV-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230620 1315653372 /nfs/dbraw/zinc/65/33/72/1315653372.db2.gz SAOPMHPFIOSABV-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255670 1315686957 /nfs/dbraw/zinc/68/69/57/1315686957.db2.gz FHPISVGMKSBDGA-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255670 1315686959 /nfs/dbraw/zinc/68/69/59/1315686959.db2.gz FHPISVGMKSBDGA-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C[NH+]1CCC(CO)([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254352818 1315696945 /nfs/dbraw/zinc/69/69/45/1315696945.db2.gz FKFTUQSMSQOARN-UHFFFAOYSA-N 2 2 345.462 2.576 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039299942 1315708137 /nfs/dbraw/zinc/70/81/37/1315708137.db2.gz OHYBOTPAPMNZLB-OOKSDGMUSA-N 2 2 330.476 2.912 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CC4CC[NH+](CC4)C3)CC2)c1 ZINC001254845752 1315748881 /nfs/dbraw/zinc/74/88/81/1315748881.db2.gz RIWVHDQZBPVRNI-OAQYLSRUSA-N 2 2 338.499 2.597 20 30 EFEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851448 1315750088 /nfs/dbraw/zinc/75/00/88/1315750088.db2.gz AWYKBTSIROZZAO-ICSRJNTNSA-N 2 2 347.503 2.581 20 30 EFEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851448 1315750094 /nfs/dbraw/zinc/75/00/94/1315750094.db2.gz AWYKBTSIROZZAO-ICSRJNTNSA-N 2 2 347.503 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039380105 1315750479 /nfs/dbraw/zinc/75/04/79/1315750479.db2.gz KYSTUXUTIQHGMW-LTIDMASMSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039380105 1315750480 /nfs/dbraw/zinc/75/04/80/1315750480.db2.gz KYSTUXUTIQHGMW-LTIDMASMSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380105 1315750484 /nfs/dbraw/zinc/75/04/84/1315750484.db2.gz KYSTUXUTIQHGMW-LTIDMASMSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380105 1315750486 /nfs/dbraw/zinc/75/04/86/1315750486.db2.gz KYSTUXUTIQHGMW-LTIDMASMSA-N 2 2 339.911 2.535 20 30 EFEDLP N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863460 1315751591 /nfs/dbraw/zinc/75/15/91/1315751591.db2.gz FDFGZMTZRCRCRS-UYAOXDASSA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863460 1315751592 /nfs/dbraw/zinc/75/15/92/1315751592.db2.gz FDFGZMTZRCRCRS-UYAOXDASSA-N 2 2 325.456 2.886 20 30 EFEDLP CC[C@@H](CC#N)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168660 1315785184 /nfs/dbraw/zinc/78/51/84/1315785184.db2.gz VFEZUQZTDVUNKQ-OALUTQOASA-N 2 2 342.487 2.829 20 30 EFEDLP CC[C@@H](CC#N)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168660 1315785187 /nfs/dbraw/zinc/78/51/87/1315785187.db2.gz VFEZUQZTDVUNKQ-OALUTQOASA-N 2 2 342.487 2.829 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256537177 1315953695 /nfs/dbraw/zinc/95/36/95/1315953695.db2.gz LQYMVWOHCFKMNZ-NJAFHUGGSA-N 2 2 333.476 2.549 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256537177 1315953697 /nfs/dbraw/zinc/95/36/97/1315953697.db2.gz LQYMVWOHCFKMNZ-NJAFHUGGSA-N 2 2 333.476 2.549 20 30 EFEDLP N#CC1CCC([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)CC1 ZINC001256967490 1316015475 /nfs/dbraw/zinc/01/54/75/1316015475.db2.gz CKAFQZMFHVDMCG-UHFFFAOYSA-N 2 2 340.471 2.835 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293654 1316188900 /nfs/dbraw/zinc/18/89/00/1316188900.db2.gz YFYGXUICYPKBER-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293654 1316188903 /nfs/dbraw/zinc/18/89/03/1316188903.db2.gz YFYGXUICYPKBER-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389169 1316237213 /nfs/dbraw/zinc/23/72/13/1316237213.db2.gz SMPACEYOXMRSDH-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389169 1316237215 /nfs/dbraw/zinc/23/72/15/1316237215.db2.gz SMPACEYOXMRSDH-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001040513034 1316301892 /nfs/dbraw/zinc/30/18/92/1316301892.db2.gz KOCFKGUBKAQFLY-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001040513034 1316301895 /nfs/dbraw/zinc/30/18/95/1316301895.db2.gz KOCFKGUBKAQFLY-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001318541876 1328635231 /nfs/dbraw/zinc/63/52/31/1328635231.db2.gz RYNWKVSBPNUIEM-CYBMUJFWSA-N 2 2 347.378 2.853 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC001040745926 1316365645 /nfs/dbraw/zinc/36/56/45/1316365645.db2.gz UCWBFYRUXAQVSM-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001041402424 1316540841 /nfs/dbraw/zinc/54/08/41/1316540841.db2.gz IVFRXOAIQBEEJM-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001041402424 1316540844 /nfs/dbraw/zinc/54/08/44/1316540844.db2.gz IVFRXOAIQBEEJM-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001041518821 1316573877 /nfs/dbraw/zinc/57/38/77/1316573877.db2.gz NNTGHVGYDQHDRY-HXUWFJFHSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001041518821 1316573879 /nfs/dbraw/zinc/57/38/79/1316573879.db2.gz NNTGHVGYDQHDRY-HXUWFJFHSA-N 2 2 336.439 2.596 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665526 1316641051 /nfs/dbraw/zinc/64/10/51/1316641051.db2.gz UDGPFNJRYNLUHZ-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665526 1316641052 /nfs/dbraw/zinc/64/10/52/1316641052.db2.gz UDGPFNJRYNLUHZ-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717838 1316662021 /nfs/dbraw/zinc/66/20/21/1316662021.db2.gz UJTWVXQTJIQQHF-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717838 1316662024 /nfs/dbraw/zinc/66/20/24/1316662024.db2.gz UJTWVXQTJIQQHF-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717453 1316662229 /nfs/dbraw/zinc/66/22/29/1316662229.db2.gz RCDOXQLDOUEMPI-NVXWUHKLSA-N 2 2 336.867 2.511 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717453 1316662231 /nfs/dbraw/zinc/66/22/31/1316662231.db2.gz RCDOXQLDOUEMPI-NVXWUHKLSA-N 2 2 336.867 2.511 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717836 1316662305 /nfs/dbraw/zinc/66/23/05/1316662305.db2.gz UJTWVXQTJIQQHF-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717836 1316662308 /nfs/dbraw/zinc/66/23/08/1316662308.db2.gz UJTWVXQTJIQQHF-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042185281 1316939041 /nfs/dbraw/zinc/93/90/41/1316939041.db2.gz AGDIFWDQMJZRKV-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042185281 1316939044 /nfs/dbraw/zinc/93/90/44/1316939044.db2.gz AGDIFWDQMJZRKV-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001279696661 1317364784 /nfs/dbraw/zinc/36/47/84/1317364784.db2.gz DHODCDVVGGYSNO-UHFFFAOYSA-N 2 2 349.482 2.661 20 30 EFEDLP N#Cc1cccc(C(=O)C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001280020448 1317437384 /nfs/dbraw/zinc/43/73/84/1317437384.db2.gz CLVFIWAQWWDRHW-UHFFFAOYSA-N 2 2 348.450 2.667 20 30 EFEDLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001282412279 1318927174 /nfs/dbraw/zinc/92/71/74/1318927174.db2.gz MFISXEQLPSOFGQ-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001282412279 1318927183 /nfs/dbraw/zinc/92/71/83/1318927183.db2.gz MFISXEQLPSOFGQ-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340263100 1332163483 /nfs/dbraw/zinc/16/34/83/1332163483.db2.gz AEQJDEWYZPQDGV-QGZVFWFLSA-N 2 2 346.523 2.588 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340263100 1332163485 /nfs/dbraw/zinc/16/34/85/1332163485.db2.gz AEQJDEWYZPQDGV-QGZVFWFLSA-N 2 2 346.523 2.588 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001341605422 1332270544 /nfs/dbraw/zinc/27/05/44/1332270544.db2.gz OBNRQSAKFQUTGS-VQIMIIECSA-N 2 2 345.487 2.584 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001351614958 1333257054 /nfs/dbraw/zinc/25/70/54/1333257054.db2.gz CAQWYECEOPGBDZ-KRWDZBQOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001351614958 1333257056 /nfs/dbraw/zinc/25/70/56/1333257056.db2.gz CAQWYECEOPGBDZ-KRWDZBQOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001351614958 1333257058 /nfs/dbraw/zinc/25/70/58/1333257058.db2.gz CAQWYECEOPGBDZ-KRWDZBQOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001351614958 1333257063 /nfs/dbraw/zinc/25/70/63/1333257063.db2.gz CAQWYECEOPGBDZ-KRWDZBQOSA-N 2 2 346.523 2.541 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCc2noc3ccccc23)cc1 ZINC000848510130 1334765367 /nfs/dbraw/zinc/76/53/67/1334765367.db2.gz PSANWVGLIDUONU-UHFFFAOYSA-N 2 2 338.411 2.769 20 30 EFEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001363940155 1337122507 /nfs/dbraw/zinc/12/25/07/1337122507.db2.gz LCZYZWLMTWALMB-MOPGFXCFSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001363940155 1337122509 /nfs/dbraw/zinc/12/25/09/1337122509.db2.gz LCZYZWLMTWALMB-MOPGFXCFSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001363940155 1337122511 /nfs/dbraw/zinc/12/25/11/1337122511.db2.gz LCZYZWLMTWALMB-MOPGFXCFSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001363940155 1337122512 /nfs/dbraw/zinc/12/25/12/1337122512.db2.gz LCZYZWLMTWALMB-MOPGFXCFSA-N 2 2 332.451 2.907 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001366225885 1337459115 /nfs/dbraw/zinc/45/91/15/1337459115.db2.gz PKBDZSFHMFVSKL-INIZCTEOSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001366225885 1337459116 /nfs/dbraw/zinc/45/91/16/1337459116.db2.gz PKBDZSFHMFVSKL-INIZCTEOSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001366635579 1337780911 /nfs/dbraw/zinc/78/09/11/1337780911.db2.gz YDXPFPCSJOJYRD-MSOLQXFVSA-N 2 2 349.906 2.522 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001366635579 1337780914 /nfs/dbraw/zinc/78/09/14/1337780914.db2.gz YDXPFPCSJOJYRD-MSOLQXFVSA-N 2 2 349.906 2.522 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001366635579 1337780917 /nfs/dbraw/zinc/78/09/17/1337780917.db2.gz YDXPFPCSJOJYRD-MSOLQXFVSA-N 2 2 349.906 2.522 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001366635579 1337780921 /nfs/dbraw/zinc/78/09/21/1337780921.db2.gz YDXPFPCSJOJYRD-MSOLQXFVSA-N 2 2 349.906 2.522 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001367188013 1338491588 /nfs/dbraw/zinc/49/15/88/1338491588.db2.gz XXRPTJQGTUNCCC-QGZVFWFLSA-N 2 2 332.835 2.575 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001378968921 1345467868 /nfs/dbraw/zinc/46/78/68/1345467868.db2.gz LFQQVEORYRBOCG-HNNXBMFYSA-N 2 2 334.851 2.739 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001391609748 1355349408 /nfs/dbraw/zinc/34/94/08/1355349408.db2.gz CJTXJZKGKKBFNB-MRXNPFEDSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001391609748 1355349412 /nfs/dbraw/zinc/34/94/12/1355349412.db2.gz CJTXJZKGKKBFNB-MRXNPFEDSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001392198720 1355855408 /nfs/dbraw/zinc/85/54/08/1355855408.db2.gz UDNJHEGXBWZORG-XJKSGUPXSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001393622305 1357013120 /nfs/dbraw/zinc/01/31/20/1357013120.db2.gz JMINKSBOQYJLKZ-UHFFFAOYSA-N 2 2 343.924 2.956 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001393622305 1357013123 /nfs/dbraw/zinc/01/31/23/1357013123.db2.gz JMINKSBOQYJLKZ-UHFFFAOYSA-N 2 2 343.924 2.956 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001401335924 1362681956 /nfs/dbraw/zinc/68/19/56/1362681956.db2.gz MIUOPSREZCMCFS-QGZVFWFLSA-N 2 2 346.862 2.969 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001401387794 1362741072 /nfs/dbraw/zinc/74/10/72/1362741072.db2.gz WFIRVEGUSCFRSW-UHFFFAOYSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001401387794 1362741077 /nfs/dbraw/zinc/74/10/77/1362741077.db2.gz WFIRVEGUSCFRSW-UHFFFAOYSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001401387794 1362741082 /nfs/dbraw/zinc/74/10/82/1362741082.db2.gz WFIRVEGUSCFRSW-UHFFFAOYSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001401387794 1362741087 /nfs/dbraw/zinc/74/10/87/1362741087.db2.gz WFIRVEGUSCFRSW-UHFFFAOYSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001401459249 1362839640 /nfs/dbraw/zinc/83/96/40/1362839640.db2.gz CJWRCFCPIKNNRC-JKSUJKDBSA-N 2 2 346.862 2.883 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001401459239 1362839750 /nfs/dbraw/zinc/83/97/50/1362839750.db2.gz CJWRCFCPIKNNRC-CVEARBPZSA-N 2 2 346.862 2.883 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819278 1364066874 /nfs/dbraw/zinc/06/68/74/1364066874.db2.gz XNZZQGROMJYEHU-FUHWJXTLSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819278 1364066878 /nfs/dbraw/zinc/06/68/78/1364066878.db2.gz XNZZQGROMJYEHU-FUHWJXTLSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819278 1364066880 /nfs/dbraw/zinc/06/68/80/1364066880.db2.gz XNZZQGROMJYEHU-FUHWJXTLSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819278 1364066886 /nfs/dbraw/zinc/06/68/86/1364066886.db2.gz XNZZQGROMJYEHU-FUHWJXTLSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001407688389 1369113516 /nfs/dbraw/zinc/11/35/16/1369113516.db2.gz IDBVKMYBIONMLV-OAHLLOKOSA-N 2 2 346.862 2.993 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001417959019 1373453942 /nfs/dbraw/zinc/45/39/42/1373453942.db2.gz LYUYXOKTNINXAX-OAHLLOKOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001417959019 1373453945 /nfs/dbraw/zinc/45/39/45/1373453945.db2.gz LYUYXOKTNINXAX-OAHLLOKOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001438434258 1388596560 /nfs/dbraw/zinc/59/65/60/1388596560.db2.gz XDPDMGHJVBMOPC-SJCJKPOMSA-N 2 2 338.883 2.668 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001423981849 1382590838 /nfs/dbraw/zinc/59/08/38/1382590838.db2.gz SAAKWZNNYJJBNV-SHTZXODSSA-N 2 2 338.883 2.607 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001423981849 1382590841 /nfs/dbraw/zinc/59/08/41/1382590841.db2.gz SAAKWZNNYJJBNV-SHTZXODSSA-N 2 2 338.883 2.607 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001448277267 1392075939 /nfs/dbraw/zinc/07/59/39/1392075939.db2.gz JDYGJLPJZWNYPO-QGZVFWFLSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001448277267 1392075943 /nfs/dbraw/zinc/07/59/43/1392075943.db2.gz JDYGJLPJZWNYPO-QGZVFWFLSA-N 2 2 341.927 2.832 20 30 EFEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001493878865 1398947056 /nfs/dbraw/zinc/94/70/56/1398947056.db2.gz QLKOSWAEPZDCCC-UXHICEINSA-N 2 2 341.499 2.674 20 30 EFEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001493878865 1398947057 /nfs/dbraw/zinc/94/70/57/1398947057.db2.gz QLKOSWAEPZDCCC-UXHICEINSA-N 2 2 341.499 2.674 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833964 713275780 /nfs/dbraw/zinc/27/57/80/713275780.db2.gz UAQAZOISTHSHSQ-YOEHRIQHSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833964 713275781 /nfs/dbraw/zinc/27/57/81/713275781.db2.gz UAQAZOISTHSHSQ-YOEHRIQHSA-N 2 2 339.911 2.582 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163987 713647620 /nfs/dbraw/zinc/64/76/20/713647620.db2.gz GSXDBPCMLJUWAP-DLBZAZTESA-N 2 2 342.487 2.576 20 30 EFEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163987 713647622 /nfs/dbraw/zinc/64/76/22/713647622.db2.gz GSXDBPCMLJUWAP-DLBZAZTESA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970593464 713834489 /nfs/dbraw/zinc/83/44/89/713834489.db2.gz MNNYTDHLYIDRHG-CQSZACIVSA-N 2 2 335.879 2.551 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970593463 713834728 /nfs/dbraw/zinc/83/47/28/713834728.db2.gz MNNYTDHLYIDRHG-AWEZNQCLSA-N 2 2 335.879 2.551 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970914340 714129352 /nfs/dbraw/zinc/12/93/52/714129352.db2.gz XEBIQOYPZDSINV-CQSZACIVSA-N 2 2 335.879 2.551 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611146 714174876 /nfs/dbraw/zinc/17/48/76/714174876.db2.gz NKFWSTZTIRTNOL-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611146 714174877 /nfs/dbraw/zinc/17/48/77/714174877.db2.gz NKFWSTZTIRTNOL-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947436349 714419130 /nfs/dbraw/zinc/41/91/30/714419130.db2.gz HPSXHZSARFCQNT-WBVHZDCISA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947436349 714419133 /nfs/dbraw/zinc/41/91/33/714419133.db2.gz HPSXHZSARFCQNT-WBVHZDCISA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561700 714708550 /nfs/dbraw/zinc/70/85/50/714708550.db2.gz AWBBULYZZXUFHC-LSDHHAIUSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561700 714708552 /nfs/dbraw/zinc/70/85/52/714708552.db2.gz AWBBULYZZXUFHC-LSDHHAIUSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112264 715527978 /nfs/dbraw/zinc/52/79/78/715527978.db2.gz RNBDMCSYLBGWAB-HZPDHXFCSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112264 715527983 /nfs/dbraw/zinc/52/79/83/715527983.db2.gz RNBDMCSYLBGWAB-HZPDHXFCSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112258 715528130 /nfs/dbraw/zinc/52/81/30/715528130.db2.gz RNBDMCSYLBGWAB-CVEARBPZSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112258 715528133 /nfs/dbraw/zinc/52/81/33/715528133.db2.gz RNBDMCSYLBGWAB-CVEARBPZSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001027410860 715703398 /nfs/dbraw/zinc/70/33/98/715703398.db2.gz HVLKUCNNEYXQCQ-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001027410860 715703400 /nfs/dbraw/zinc/70/34/00/715703400.db2.gz HVLKUCNNEYXQCQ-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326464 716105443 /nfs/dbraw/zinc/10/54/43/716105443.db2.gz DQNHQIIHCRPRPG-KRWDZBQOSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326464 716105445 /nfs/dbraw/zinc/10/54/45/716105445.db2.gz DQNHQIIHCRPRPG-KRWDZBQOSA-N 2 2 349.906 2.941 20 30 EFEDLP 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C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332020 718633094 /nfs/dbraw/zinc/63/30/94/718633094.db2.gz PWVGQBYLGSIZJR-MRXNPFEDSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981539449 718798251 /nfs/dbraw/zinc/79/82/51/718798251.db2.gz WJKXZRKUIUIZKQ-IAGOWNOFSA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981539449 718798253 /nfs/dbraw/zinc/79/82/53/718798253.db2.gz WJKXZRKUIUIZKQ-IAGOWNOFSA-N 2 2 347.528 2.699 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457719 718903609 /nfs/dbraw/zinc/90/36/09/718903609.db2.gz DSLWRMGFNYUFPM-LSDHHAIUSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457719 718903623 /nfs/dbraw/zinc/90/36/23/718903623.db2.gz DSLWRMGFNYUFPM-LSDHHAIUSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025460364 718912469 /nfs/dbraw/zinc/91/24/69/718912469.db2.gz ZEUQLMMSDJBYEI-LSDHHAIUSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025460364 718912471 /nfs/dbraw/zinc/91/24/71/718912471.db2.gz ZEUQLMMSDJBYEI-LSDHHAIUSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025460363 718912480 /nfs/dbraw/zinc/91/24/80/718912480.db2.gz ZEUQLMMSDJBYEI-HUUCEWRRSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025460363 718912482 /nfs/dbraw/zinc/91/24/82/718912482.db2.gz ZEUQLMMSDJBYEI-HUUCEWRRSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482798 718990174 /nfs/dbraw/zinc/99/01/74/718990174.db2.gz QOAWPZVZOIYXIX-HZPDHXFCSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482798 718990176 /nfs/dbraw/zinc/99/01/76/718990176.db2.gz QOAWPZVZOIYXIX-HZPDHXFCSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492738 719020680 /nfs/dbraw/zinc/02/06/80/719020680.db2.gz DSVVLJRADDKXEM-FUHWJXTLSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492738 719020681 /nfs/dbraw/zinc/02/06/81/719020681.db2.gz DSVVLJRADDKXEM-FUHWJXTLSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981839280 719108861 /nfs/dbraw/zinc/10/88/61/719108861.db2.gz SESGJCCMEXWZLO-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981839280 719108863 /nfs/dbraw/zinc/10/88/63/719108863.db2.gz SESGJCCMEXWZLO-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@]2(C)C1 ZINC000982280515 719789152 /nfs/dbraw/zinc/78/91/52/719789152.db2.gz AENZIIUQNZHXHO-BGYRXZFFSA-N 2 2 338.455 2.613 20 30 EFEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@]2(C)C1 ZINC000982280515 719789159 /nfs/dbraw/zinc/78/91/59/719789159.db2.gz AENZIIUQNZHXHO-BGYRXZFFSA-N 2 2 338.455 2.613 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000986279233 724626193 /nfs/dbraw/zinc/62/61/93/724626193.db2.gz KAOPWNDLMOFAEA-UKRRQHHQSA-N 2 2 332.835 2.588 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028251812 719877822 /nfs/dbraw/zinc/87/78/22/719877822.db2.gz MLGDWRUYQBBBFX-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028251812 719877828 /nfs/dbraw/zinc/87/78/28/719877828.db2.gz MLGDWRUYQBBBFX-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251812 719877834 /nfs/dbraw/zinc/87/78/34/719877834.db2.gz MLGDWRUYQBBBFX-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251812 719877839 /nfs/dbraw/zinc/87/78/39/719877839.db2.gz MLGDWRUYQBBBFX-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028334324 720379421 /nfs/dbraw/zinc/37/94/21/720379421.db2.gz WIINMTGTLYETHQ-QGZVFWFLSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028334324 720379426 /nfs/dbraw/zinc/37/94/26/720379426.db2.gz WIINMTGTLYETHQ-QGZVFWFLSA-N 2 2 335.879 2.695 20 30 EFEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982541809 720800305 /nfs/dbraw/zinc/80/03/05/720800305.db2.gz NMRJCNVHMJOCAL-YSGRDPCXSA-N 2 2 342.487 2.576 20 30 EFEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982541809 720800308 /nfs/dbraw/zinc/80/03/08/720800308.db2.gz NMRJCNVHMJOCAL-YSGRDPCXSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982604830 720937318 /nfs/dbraw/zinc/93/73/18/720937318.db2.gz DVCZVMLRCMWSEX-RLLQIKCJSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982604830 720937320 /nfs/dbraw/zinc/93/73/20/720937320.db2.gz DVCZVMLRCMWSEX-RLLQIKCJSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573144 721037294 /nfs/dbraw/zinc/03/72/94/721037294.db2.gz JQFKSLHFXFVSQZ-ZDUSSCGKSA-N 2 2 341.908 2.614 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573144 721037296 /nfs/dbraw/zinc/03/72/96/721037296.db2.gz JQFKSLHFXFVSQZ-ZDUSSCGKSA-N 2 2 341.908 2.614 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974777914 721425156 /nfs/dbraw/zinc/42/51/56/721425156.db2.gz NPCMMIUOVILSSQ-HNNXBMFYSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974777914 721425159 /nfs/dbraw/zinc/42/51/59/721425159.db2.gz NPCMMIUOVILSSQ-HNNXBMFYSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974884992 721504235 /nfs/dbraw/zinc/50/42/35/721504235.db2.gz OXJZLLCVECRBDY-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974884992 721504238 /nfs/dbraw/zinc/50/42/38/721504238.db2.gz OXJZLLCVECRBDY-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C#CCOc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000041635079 721807400 /nfs/dbraw/zinc/80/74/00/721807400.db2.gz HBDKBRFEOJHJJS-UHFFFAOYSA-N 2 2 348.244 2.838 20 30 EFEDLP C[C@H]1C[NH+]=C(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)N1 ZINC000262647454 724906363 /nfs/dbraw/zinc/90/63/63/724906363.db2.gz JNOFVIDIDNZEHL-WMLDXEAASA-N 2 2 340.496 2.785 20 30 EFEDLP C[C@H]1C[NH+]=C(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)N1 ZINC000262647454 724906366 /nfs/dbraw/zinc/90/63/66/724906366.db2.gz JNOFVIDIDNZEHL-WMLDXEAASA-N 2 2 340.496 2.785 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992027227 725472129 /nfs/dbraw/zinc/47/21/29/725472129.db2.gz CCQJRBCREPAIBO-UYAOXDASSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992027227 725472130 /nfs/dbraw/zinc/47/21/30/725472130.db2.gz CCQJRBCREPAIBO-UYAOXDASSA-N 2 2 336.439 2.785 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992029765 725473365 /nfs/dbraw/zinc/47/33/65/725473365.db2.gz JACKCITUAFEQBM-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992029765 725473368 /nfs/dbraw/zinc/47/33/68/725473368.db2.gz JACKCITUAFEQBM-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992356915 725743354 /nfs/dbraw/zinc/74/33/54/725743354.db2.gz AMQQCZGPPOIZAC-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992356915 725743356 /nfs/dbraw/zinc/74/33/56/725743356.db2.gz AMQQCZGPPOIZAC-CTNGQTDRSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992356921 725743407 /nfs/dbraw/zinc/74/34/07/725743407.db2.gz AMQQCZGPPOIZAC-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992356921 725743410 /nfs/dbraw/zinc/74/34/10/725743410.db2.gz AMQQCZGPPOIZAC-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993490379 727292850 /nfs/dbraw/zinc/29/28/50/727292850.db2.gz KYLWQCWKXWVTGG-HZPDHXFCSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993490379 727292852 /nfs/dbraw/zinc/29/28/52/727292852.db2.gz KYLWQCWKXWVTGG-HZPDHXFCSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991470392 727882224 /nfs/dbraw/zinc/88/22/24/727882224.db2.gz HYIXYIAPAHVNQS-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991470392 727882225 /nfs/dbraw/zinc/88/22/25/727882225.db2.gz HYIXYIAPAHVNQS-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991470392 727882227 /nfs/dbraw/zinc/88/22/27/727882227.db2.gz HYIXYIAPAHVNQS-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991470392 727882228 /nfs/dbraw/zinc/88/22/28/727882228.db2.gz HYIXYIAPAHVNQS-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477478 727892652 /nfs/dbraw/zinc/89/26/52/727892652.db2.gz XUKQGQHLZPTCQD-ABSDTBQOSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477478 727892654 /nfs/dbraw/zinc/89/26/54/727892654.db2.gz XUKQGQHLZPTCQD-ABSDTBQOSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179516 728351444 /nfs/dbraw/zinc/35/14/44/728351444.db2.gz BHFTUECDFHVXLX-NVXWUHKLSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179516 728351446 /nfs/dbraw/zinc/35/14/46/728351446.db2.gz BHFTUECDFHVXLX-NVXWUHKLSA-N 2 2 332.492 2.719 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)c1 ZINC001646522926 1087833266 /nfs/dbraw/zinc/83/32/66/1087833266.db2.gz WEMADHMFUUUMSO-QFIPXVFZSA-N 2 2 349.478 2.716 20 30 EFEDLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001576385188 1089170288 /nfs/dbraw/zinc/17/02/88/1089170288.db2.gz YJDDPFMQUXTNSE-CABCVRRESA-N 2 2 346.500 2.543 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)ccc1OC ZINC001576931488 1089533504 /nfs/dbraw/zinc/53/35/04/1089533504.db2.gz LFCPNSXUZHHJRX-CHWSQXEVSA-N 2 2 345.365 2.745 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414272 1092817328 /nfs/dbraw/zinc/81/73/28/1092817328.db2.gz MKTBQXFOBNWSCF-IAGOWNOFSA-N 2 2 340.471 2.988 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414211 1092818033 /nfs/dbraw/zinc/81/80/33/1092818033.db2.gz IZSNJISDGAMASQ-IAGOWNOFSA-N 2 2 340.471 2.988 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460164 1093271997 /nfs/dbraw/zinc/27/19/97/1093271997.db2.gz LELJLHPCBLEJPI-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460164 1093272003 /nfs/dbraw/zinc/27/20/03/1093272003.db2.gz LELJLHPCBLEJPI-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461671 1093326492 /nfs/dbraw/zinc/32/64/92/1093326492.db2.gz OAGJVLSZQPJNQA-SFHVURJKSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461671 1093326501 /nfs/dbraw/zinc/32/65/01/1093326501.db2.gz OAGJVLSZQPJNQA-SFHVURJKSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001087293156 1095023948 /nfs/dbraw/zinc/02/39/48/1095023948.db2.gz ZGEFLMKLIKDHRE-FHLIZLRMSA-N 2 2 338.455 2.968 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001087293156 1095023964 /nfs/dbraw/zinc/02/39/64/1095023964.db2.gz ZGEFLMKLIKDHRE-FHLIZLRMSA-N 2 2 338.455 2.968 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@H]21 ZINC001087294930 1095046699 /nfs/dbraw/zinc/04/66/99/1095046699.db2.gz BAOHDGGXNWYGMJ-OLMNPRSZSA-N 2 2 338.455 2.739 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@H]21 ZINC001087294930 1095046705 /nfs/dbraw/zinc/04/67/05/1095046705.db2.gz BAOHDGGXNWYGMJ-OLMNPRSZSA-N 2 2 338.455 2.739 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696847 1095224320 /nfs/dbraw/zinc/22/43/20/1095224320.db2.gz PPRMOLRAAAOYBF-ZWKOTPCHSA-N 2 2 338.455 2.503 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001087309717 1095233107 /nfs/dbraw/zinc/23/31/07/1095233107.db2.gz KTELEVLPSVQNDR-FHLIZLRMSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001087309717 1095233117 /nfs/dbraw/zinc/23/31/17/1095233117.db2.gz KTELEVLPSVQNDR-FHLIZLRMSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]cn1C ZINC001087313228 1095258634 /nfs/dbraw/zinc/25/86/34/1095258634.db2.gz QXJIUCDJELGGFT-NZSAHSFTSA-N 2 2 344.503 2.534 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]cn1C ZINC001087313228 1095258648 /nfs/dbraw/zinc/25/86/48/1095258648.db2.gz QXJIUCDJELGGFT-NZSAHSFTSA-N 2 2 344.503 2.534 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956028 1095664176 /nfs/dbraw/zinc/66/41/76/1095664176.db2.gz AAMSNJXFJBYIRZ-BGTYHANMSA-N 2 2 332.492 2.605 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956028 1095664180 /nfs/dbraw/zinc/66/41/80/1095664180.db2.gz AAMSNJXFJBYIRZ-BGTYHANMSA-N 2 2 332.492 2.605 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956028 1095664185 /nfs/dbraw/zinc/66/41/85/1095664185.db2.gz AAMSNJXFJBYIRZ-BGTYHANMSA-N 2 2 332.492 2.605 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956028 1095664193 /nfs/dbraw/zinc/66/41/93/1095664193.db2.gz AAMSNJXFJBYIRZ-BGTYHANMSA-N 2 2 332.492 2.605 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001602863010 1096389696 /nfs/dbraw/zinc/38/96/96/1096389696.db2.gz PDSHXRJPGYNRPR-QGZVFWFLSA-N 2 2 326.448 2.558 20 30 EFEDLP N#Cc1cccc(NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001620532418 1099359146 /nfs/dbraw/zinc/35/91/46/1099359146.db2.gz KEYDDPOICBTRMB-IBGZPJMESA-N 2 2 345.406 2.724 20 30 EFEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105576 1099711055 /nfs/dbraw/zinc/71/10/55/1099711055.db2.gz XQUHBZHBVYAKTA-QZTJIDSGSA-N 2 2 334.508 2.928 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684465 1100661322 /nfs/dbraw/zinc/66/13/22/1100661322.db2.gz ZJPRHGGWLONSKT-LSDHHAIUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684465 1100661326 /nfs/dbraw/zinc/66/13/26/1100661326.db2.gz ZJPRHGGWLONSKT-LSDHHAIUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746064 1100723126 /nfs/dbraw/zinc/72/31/26/1100723126.db2.gz DLVWHQVYKNQBGH-LSDHHAIUSA-N 2 2 338.883 2.728 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746064 1100723130 /nfs/dbraw/zinc/72/31/30/1100723130.db2.gz DLVWHQVYKNQBGH-LSDHHAIUSA-N 2 2 338.883 2.728 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966126 1101094443 /nfs/dbraw/zinc/09/44/43/1101094443.db2.gz MBTAHFFKRKKCCQ-MSOLQXFVSA-N 2 2 338.455 2.613 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966126 1101094450 /nfs/dbraw/zinc/09/44/50/1101094450.db2.gz MBTAHFFKRKKCCQ-MSOLQXFVSA-N 2 2 338.455 2.613 20 30 EFEDLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001141904955 1101146192 /nfs/dbraw/zinc/14/61/92/1101146192.db2.gz KDTAGRSPLITXQK-UHFFFAOYSA-N 2 2 334.261 2.848 20 30 EFEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327597 1101777624 /nfs/dbraw/zinc/77/76/24/1101777624.db2.gz WGJNQAKKJKPTGV-KURKYZTESA-N 2 2 332.492 2.731 20 30 EFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352182 1102028833 /nfs/dbraw/zinc/02/88/33/1102028833.db2.gz HKZXGHKXQJUCDF-HUUCEWRRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988844057 1105325431 /nfs/dbraw/zinc/32/54/31/1105325431.db2.gz MECVICBPWHSUQI-WFASDCNBSA-N 2 2 332.835 2.588 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988844053 1105325516 /nfs/dbraw/zinc/32/55/16/1105325516.db2.gz MECVICBPWHSUQI-IUODEOHRSA-N 2 2 332.835 2.588 20 30 EFEDLP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832231 1105529480 /nfs/dbraw/zinc/52/94/80/1105529480.db2.gz CAOGVSBNHYHCLK-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832231 1105529485 /nfs/dbraw/zinc/52/94/85/1105529485.db2.gz CAOGVSBNHYHCLK-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532211 1105894826 /nfs/dbraw/zinc/89/48/26/1105894826.db2.gz IPEMXJJWSCHOAS-QGZVFWFLSA-N 2 2 342.487 2.507 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551987 1105924768 /nfs/dbraw/zinc/92/47/68/1105924768.db2.gz SSSAGACMXWREHL-QGZVFWFLSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105552222 1105925928 /nfs/dbraw/zinc/92/59/28/1105925928.db2.gz ZSTHIDZAPNEUHG-GOSISDBHSA-N 2 2 344.503 2.990 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576558 1105964559 /nfs/dbraw/zinc/96/45/59/1105964559.db2.gz HIXPGXCRNCTEEY-QGZVFWFLSA-N 2 2 330.476 2.588 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001168297639 1106388526 /nfs/dbraw/zinc/38/85/26/1106388526.db2.gz VKRWJNAFPWGNII-UHFFFAOYSA-N 2 2 347.528 2.558 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001168297639 1106388531 /nfs/dbraw/zinc/38/85/31/1106388531.db2.gz VKRWJNAFPWGNII-UHFFFAOYSA-N 2 2 347.528 2.558 20 30 EFEDLP C[NH+]=C(NCc1ccsc1)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000083804048 1106552069 /nfs/dbraw/zinc/55/20/69/1106552069.db2.gz UMXLVYLMSCCQFT-ZDUSSCGKSA-N 2 2 348.541 2.921 20 30 EFEDLP C[NH+]=C(NCc1ccsc1)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000083804048 1106552072 /nfs/dbraw/zinc/55/20/72/1106552072.db2.gz UMXLVYLMSCCQFT-ZDUSSCGKSA-N 2 2 348.541 2.921 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115628 1107688173 /nfs/dbraw/zinc/68/81/73/1107688173.db2.gz IDDSDSSDXVJEIK-HOTGVXAUSA-N 2 2 343.943 2.932 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324436 1109767206 /nfs/dbraw/zinc/76/72/06/1109767206.db2.gz SLGBQDPWDCAFGU-IXDOHACOSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324436 1109767210 /nfs/dbraw/zinc/76/72/10/1109767210.db2.gz SLGBQDPWDCAFGU-IXDOHACOSA-N 2 2 339.911 2.536 20 30 EFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537586 1110039466 /nfs/dbraw/zinc/03/94/66/1110039466.db2.gz NRICSXVRMBXLQQ-LNLFQRSKSA-N 2 2 330.476 2.629 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106225847 1111172686 /nfs/dbraw/zinc/17/26/86/1111172686.db2.gz JJAVHGIFWXRGDD-IAGOWNOFSA-N 2 2 334.508 2.997 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106225847 1111172688 /nfs/dbraw/zinc/17/26/88/1111172688.db2.gz JJAVHGIFWXRGDD-IAGOWNOFSA-N 2 2 334.508 2.997 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288279 1111331365 /nfs/dbraw/zinc/33/13/65/1111331365.db2.gz HOJOBUQOUIPVAR-KZNAEPCWSA-N 2 2 332.492 2.731 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417257 1112093564 /nfs/dbraw/zinc/09/35/64/1112093564.db2.gz XGLGQFWRAFDVTM-INIZCTEOSA-N 2 2 332.492 2.719 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089417257 1112093568 /nfs/dbraw/zinc/09/35/68/1112093568.db2.gz XGLGQFWRAFDVTM-INIZCTEOSA-N 2 2 332.492 2.719 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419398 1112099465 /nfs/dbraw/zinc/09/94/65/1112099465.db2.gz FOQGYPSURVJEPF-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419398 1112099469 /nfs/dbraw/zinc/09/94/69/1112099469.db2.gz FOQGYPSURVJEPF-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421366 1112101661 /nfs/dbraw/zinc/10/16/61/1112101661.db2.gz TVICVFKVQJPCCU-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421366 1112101662 /nfs/dbraw/zinc/10/16/62/1112101662.db2.gz TVICVFKVQJPCCU-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089421337 1112101981 /nfs/dbraw/zinc/10/19/81/1112101981.db2.gz SUHIMSQGMMVLMI-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089421337 1112101982 /nfs/dbraw/zinc/10/19/82/1112101982.db2.gz SUHIMSQGMMVLMI-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423355 1112107496 /nfs/dbraw/zinc/10/74/96/1112107496.db2.gz ILILBRUQIYKFRA-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423355 1112107497 /nfs/dbraw/zinc/10/74/97/1112107497.db2.gz ILILBRUQIYKFRA-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089440884 1112149706 /nfs/dbraw/zinc/14/97/06/1112149706.db2.gz CUPIQRYJHZRHRM-HNNXBMFYSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089440884 1112149707 /nfs/dbraw/zinc/14/97/07/1112149707.db2.gz CUPIQRYJHZRHRM-HNNXBMFYSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488733 1112221177 /nfs/dbraw/zinc/22/11/77/1112221177.db2.gz XGKWLWDYUDGHFI-LSDHHAIUSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488733 1112221182 /nfs/dbraw/zinc/22/11/82/1112221182.db2.gz XGKWLWDYUDGHFI-LSDHHAIUSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549283 1112295449 /nfs/dbraw/zinc/29/54/49/1112295449.db2.gz VZBAAINJFYEIRI-CQSZACIVSA-N 2 2 338.883 2.620 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549283 1112295452 /nfs/dbraw/zinc/29/54/52/1112295452.db2.gz VZBAAINJFYEIRI-CQSZACIVSA-N 2 2 338.883 2.620 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562530 1112313110 /nfs/dbraw/zinc/31/31/10/1112313110.db2.gz HAOPSNWAQFXWQV-HNNXBMFYSA-N 2 2 338.883 2.551 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562530 1112313115 /nfs/dbraw/zinc/31/31/15/1112313115.db2.gz HAOPSNWAQFXWQV-HNNXBMFYSA-N 2 2 338.883 2.551 20 30 EFEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089659297 1112590828 /nfs/dbraw/zinc/59/08/28/1112590828.db2.gz WSJBPBBHASNUSJ-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089659297 1112590830 /nfs/dbraw/zinc/59/08/30/1112590830.db2.gz WSJBPBBHASNUSJ-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661397 1112612274 /nfs/dbraw/zinc/61/22/74/1112612274.db2.gz WWDYHKMGFVHFKH-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661397 1112612275 /nfs/dbraw/zinc/61/22/75/1112612275.db2.gz WWDYHKMGFVHFKH-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695148 1112802094 /nfs/dbraw/zinc/80/20/94/1112802094.db2.gz DURXXQKJNAEOEC-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089695148 1112802100 /nfs/dbraw/zinc/80/21/00/1112802100.db2.gz DURXXQKJNAEOEC-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001484616771 1113067533 /nfs/dbraw/zinc/06/75/33/1113067533.db2.gz MRYJSJWERUSCIU-QGZVFWFLSA-N 2 2 331.460 2.570 20 30 EFEDLP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827956 1117990800 /nfs/dbraw/zinc/99/08/00/1117990800.db2.gz QDXFXLKACOIIDH-YBKUAAOGSA-N 2 2 336.439 2.531 20 30 EFEDLP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827956 1117990802 /nfs/dbraw/zinc/99/08/02/1117990802.db2.gz QDXFXLKACOIIDH-YBKUAAOGSA-N 2 2 336.439 2.531 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943519700 1119533723 /nfs/dbraw/zinc/53/37/23/1119533723.db2.gz YIOMXWBJKRXXAM-WMZOPIPTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943519700 1119533727 /nfs/dbraw/zinc/53/37/27/1119533727.db2.gz YIOMXWBJKRXXAM-WMZOPIPTSA-N 2 2 340.471 2.588 20 30 EFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1C[C@H](C)C[C@H](C)C1 ZINC000073068240 1120521565 /nfs/dbraw/zinc/52/15/65/1120521565.db2.gz ZBBUTYGZOWKXKE-IYBDPMFKSA-N 2 2 331.508 2.705 20 30 EFEDLP N#Cc1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000177597248 231936016 /nfs/dbraw/zinc/93/60/16/231936016.db2.gz GIYLVLGSHYURRK-UHFFFAOYSA-N 2 2 333.501 2.992 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000181706798 234294104 /nfs/dbraw/zinc/29/41/04/234294104.db2.gz HRUUWYSCHVWSQZ-JOCHJYFZSA-N 2 2 349.478 2.716 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000423277203 283139275 /nfs/dbraw/zinc/13/92/75/283139275.db2.gz NXBMVOCICJSHOR-ICSRJNTNSA-N 3 2 326.488 2.630 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719992 216299447 /nfs/dbraw/zinc/29/94/47/216299447.db2.gz PYEPAXUZELXKMY-FUHWJXTLSA-N 2 2 340.471 2.693 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719992 216299451 /nfs/dbraw/zinc/29/94/51/216299451.db2.gz PYEPAXUZELXKMY-FUHWJXTLSA-N 2 2 340.471 2.693 20 30 EFEDLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537361 239172981 /nfs/dbraw/zinc/17/29/81/239172981.db2.gz CNLXNYRHBLPMOQ-OAHLLOKOSA-N 2 2 343.500 2.616 20 30 EFEDLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537361 239172986 /nfs/dbraw/zinc/17/29/86/239172986.db2.gz CNLXNYRHBLPMOQ-OAHLLOKOSA-N 2 2 343.500 2.616 20 30 EFEDLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537361 239172995 /nfs/dbraw/zinc/17/29/95/239172995.db2.gz CNLXNYRHBLPMOQ-OAHLLOKOSA-N 2 2 343.500 2.616 20 30 EFEDLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537361 239173000 /nfs/dbraw/zinc/17/30/00/239173000.db2.gz CNLXNYRHBLPMOQ-OAHLLOKOSA-N 2 2 343.500 2.616 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245448387 240255236 /nfs/dbraw/zinc/25/52/36/240255236.db2.gz MUSCVMMUCOZWEJ-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245448387 240255243 /nfs/dbraw/zinc/25/52/43/240255243.db2.gz MUSCVMMUCOZWEJ-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245448387 240255249 /nfs/dbraw/zinc/25/52/49/240255249.db2.gz MUSCVMMUCOZWEJ-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245448387 240255259 /nfs/dbraw/zinc/25/52/59/240255259.db2.gz MUSCVMMUCOZWEJ-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C[NH+]=C(NC[C@@H](c1ccsc1)[NH+](C)C)N1CCSC(C)(C)C1 ZINC000261924049 240330301 /nfs/dbraw/zinc/33/03/01/240330301.db2.gz KUOXGFOQSDDLNX-AWEZNQCLSA-N 2 2 340.562 2.754 20 30 EFEDLP C[NH+]=C(NCC1(C2CC2)CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261948018 240331288 /nfs/dbraw/zinc/33/12/88/240331288.db2.gz GKXJTDHYWDASTR-DOTOQJQBSA-N 2 2 329.492 2.922 20 30 EFEDLP C[NH+]=C(NCc1ccc(C)s1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261945119 240333697 /nfs/dbraw/zinc/33/36/97/240333697.db2.gz FQPFTWHPVKZQLV-CZUORRHYSA-N 2 2 331.489 2.912 20 30 EFEDLP C[NH+]=C(NCc1sccc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262005903 240340921 /nfs/dbraw/zinc/34/09/21/240340921.db2.gz VOZOLKXRXYMHSO-ZFWWWQNUSA-N 2 2 331.489 2.912 20 30 EFEDLP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)[NH+](C)C)cc1OC ZINC000264058972 240398162 /nfs/dbraw/zinc/39/81/62/240398162.db2.gz BZKRZLGGCGGANB-MRXNPFEDSA-N 2 2 342.443 2.733 20 30 EFEDLP [NH2+]=C(NCCCn1cc[nH+]c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264064968 240399738 /nfs/dbraw/zinc/39/97/38/240399738.db2.gz DUZQDFNUQZHUEL-UHFFFAOYSA-N 2 2 327.310 2.599 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)CCC2 ZINC000328659647 241214183 /nfs/dbraw/zinc/21/41/83/241214183.db2.gz TXRKTHPUMMFKRC-CGZBRXJRSA-N 2 2 347.507 2.693 20 30 EFEDLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328755054 241234627 /nfs/dbraw/zinc/23/46/27/241234627.db2.gz DZWOCCMSVRNAKM-INMHGKMJSA-N 2 2 334.464 2.861 20 30 EFEDLP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328755054 241234631 /nfs/dbraw/zinc/23/46/31/241234631.db2.gz DZWOCCMSVRNAKM-INMHGKMJSA-N 2 2 334.464 2.861 20 30 EFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]nc3C(C)(C)C)CC2)CC1 ZINC000328770094 241236815 /nfs/dbraw/zinc/23/68/15/241236815.db2.gz IXKGAIOHERLUHS-UHFFFAOYSA-N 2 2 347.507 2.570 20 30 EFEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328800880 241242975 /nfs/dbraw/zinc/24/29/75/241242975.db2.gz YVBYYDFQTIKCJM-CVEARBPZSA-N 2 2 347.507 2.634 20 30 EFEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328800880 241242978 /nfs/dbraw/zinc/24/29/78/241242978.db2.gz YVBYYDFQTIKCJM-CVEARBPZSA-N 2 2 347.507 2.634 20 30 EFEDLP CC1CC[NH+](C2CCC(NC(=O)N(C)Cc3[nH+]ccn3C)CC2)CC1 ZINC000329389368 241359828 /nfs/dbraw/zinc/35/98/28/241359828.db2.gz QYXQWNITTYLLRG-UHFFFAOYSA-N 2 2 347.507 2.809 20 30 EFEDLP CN(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1c[nH+]cn1C ZINC000329273475 241338867 /nfs/dbraw/zinc/33/88/67/241338867.db2.gz JXYJOROSOXDBTA-GOSISDBHSA-N 2 2 347.507 2.634 20 30 EFEDLP O=C(NCCNc1cccc[nH+]1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329291430 241342561 /nfs/dbraw/zinc/34/25/61/241342561.db2.gz NLNLULHPYWQBDN-HNNXBMFYSA-N 2 2 334.489 2.668 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356578355 242076232 /nfs/dbraw/zinc/07/62/32/242076232.db2.gz OPBGTAMIRFMAOI-MOPGFXCFSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356578355 242076238 /nfs/dbraw/zinc/07/62/38/242076238.db2.gz OPBGTAMIRFMAOI-MOPGFXCFSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578355 242076241 /nfs/dbraw/zinc/07/62/41/242076241.db2.gz OPBGTAMIRFMAOI-MOPGFXCFSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578355 242076247 /nfs/dbraw/zinc/07/62/47/242076247.db2.gz OPBGTAMIRFMAOI-MOPGFXCFSA-N 2 2 333.520 2.773 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169647 243205688 /nfs/dbraw/zinc/20/56/88/243205688.db2.gz PMUZYQWUEJTQFV-KGLIPLIRSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246169647 243205692 /nfs/dbraw/zinc/20/56/92/243205692.db2.gz PMUZYQWUEJTQFV-KGLIPLIRSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246169647 243205697 /nfs/dbraw/zinc/20/56/97/243205697.db2.gz PMUZYQWUEJTQFV-KGLIPLIRSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246169647 243205700 /nfs/dbraw/zinc/20/57/00/243205700.db2.gz PMUZYQWUEJTQFV-KGLIPLIRSA-N 2 2 348.878 2.812 20 30 EFEDLP C=CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741539 244319563 /nfs/dbraw/zinc/31/95/63/244319563.db2.gz MORFSDSFRNYOOU-RDJZCZTQSA-N 2 2 328.464 2.585 20 30 EFEDLP C=CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741539 244319568 /nfs/dbraw/zinc/31/95/68/244319568.db2.gz MORFSDSFRNYOOU-RDJZCZTQSA-N 2 2 328.464 2.585 20 30 EFEDLP Cc1cc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425237987 247012002 /nfs/dbraw/zinc/01/20/02/247012002.db2.gz UDUDKAJTHZQHFC-CALCHBBNSA-N 2 2 342.487 2.977 20 30 EFEDLP Cc1cc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425237987 247012004 /nfs/dbraw/zinc/01/20/04/247012004.db2.gz UDUDKAJTHZQHFC-CALCHBBNSA-N 2 2 342.487 2.977 20 30 EFEDLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000443999860 250247221 /nfs/dbraw/zinc/24/72/21/250247221.db2.gz FDTKXYCIJYGGRQ-YADHBBJMSA-N 2 2 349.478 2.839 20 30 EFEDLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000443999860 250247226 /nfs/dbraw/zinc/24/72/26/250247226.db2.gz FDTKXYCIJYGGRQ-YADHBBJMSA-N 2 2 349.478 2.839 20 30 EFEDLP Cc1cc(C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000443999804 250247858 /nfs/dbraw/zinc/24/78/58/250247858.db2.gz DQCRQQGCLJVSFL-RTWAWAEBSA-N 2 2 335.451 2.592 20 30 EFEDLP Cc1cc(C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1C#N ZINC000443999804 250247862 /nfs/dbraw/zinc/24/78/62/250247862.db2.gz DQCRQQGCLJVSFL-RTWAWAEBSA-N 2 2 335.451 2.592 20 30 EFEDLP C=CCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000449606258 251080086 /nfs/dbraw/zinc/08/00/86/251080086.db2.gz QCWZDQYQXJUSQJ-UHFFFAOYSA-N 2 2 335.536 2.509 20 30 EFEDLP C=CCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCC1 ZINC000449606258 251080088 /nfs/dbraw/zinc/08/00/88/251080088.db2.gz QCWZDQYQXJUSQJ-UHFFFAOYSA-N 2 2 335.536 2.509 20 30 EFEDLP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000449635692 251088415 /nfs/dbraw/zinc/08/84/15/251088415.db2.gz YIQYTXAAIAHGRY-MGPUTAFESA-N 2 2 327.472 2.926 20 30 EFEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268874969 252321727 /nfs/dbraw/zinc/32/17/27/252321727.db2.gz GSRKVBAQXBWAAG-DOTOQJQBSA-N 2 2 337.895 2.714 20 30 EFEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268874969 252321731 /nfs/dbraw/zinc/32/17/31/252321731.db2.gz GSRKVBAQXBWAAG-DOTOQJQBSA-N 2 2 337.895 2.714 20 30 EFEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268874973 252321904 /nfs/dbraw/zinc/32/19/04/252321904.db2.gz GSRKVBAQXBWAAG-NVXWUHKLSA-N 2 2 337.895 2.714 20 30 EFEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268874973 252321909 /nfs/dbraw/zinc/32/19/09/252321909.db2.gz GSRKVBAQXBWAAG-NVXWUHKLSA-N 2 2 337.895 2.714 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000119402302 221312495 /nfs/dbraw/zinc/31/24/95/221312495.db2.gz QDVZHVMKPUNTDE-IRXDYDNUSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000119402456 221312741 /nfs/dbraw/zinc/31/27/41/221312741.db2.gz QDVZHVMKPUNTDE-IAGOWNOFSA-N 2 2 344.478 2.688 20 30 EFEDLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000359738131 148176963 /nfs/dbraw/zinc/17/69/63/148176963.db2.gz WPYCTCDKPATWJH-FQEVSTJZSA-N 2 2 340.471 2.696 20 30 EFEDLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000359738131 148176965 /nfs/dbraw/zinc/17/69/65/148176965.db2.gz WPYCTCDKPATWJH-FQEVSTJZSA-N 2 2 340.471 2.696 20 30 EFEDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000158634624 225056804 /nfs/dbraw/zinc/05/68/04/225056804.db2.gz KLAFDXJBTVJXOQ-GOSISDBHSA-N 2 2 344.503 2.667 20 30 EFEDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000158634624 225056808 /nfs/dbraw/zinc/05/68/08/225056808.db2.gz KLAFDXJBTVJXOQ-GOSISDBHSA-N 2 2 344.503 2.667 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)Cc3ccccc3)CC2)cc1 ZINC000158252835 224977835 /nfs/dbraw/zinc/97/78/35/224977835.db2.gz DHQDXNALQWLSDV-JOCHJYFZSA-N 2 2 349.478 2.716 20 30 EFEDLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000123576026 222299775 /nfs/dbraw/zinc/29/97/75/222299775.db2.gz WWHCEOZJBRNZTF-UHFFFAOYSA-N 2 2 334.489 2.612 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453261625 270029042 /nfs/dbraw/zinc/02/90/42/270029042.db2.gz KEHLUBZRQVZAML-AZUAARDMSA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453261625 270029043 /nfs/dbraw/zinc/02/90/43/270029043.db2.gz KEHLUBZRQVZAML-AZUAARDMSA-N 2 2 327.472 2.762 20 30 EFEDLP Cc1oc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000532949898 270036081 /nfs/dbraw/zinc/03/60/81/270036081.db2.gz CDIVOMXJMKSHCB-UHFFFAOYSA-N 2 2 346.475 2.759 20 30 EFEDLP Cc1oc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000532949898 270036082 /nfs/dbraw/zinc/03/60/82/270036082.db2.gz CDIVOMXJMKSHCB-UHFFFAOYSA-N 2 2 346.475 2.759 20 30 EFEDLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864103 266082596 /nfs/dbraw/zinc/08/25/96/266082596.db2.gz USLDNLGAVVYKDA-KKSFZXQISA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864103 266082598 /nfs/dbraw/zinc/08/25/98/266082598.db2.gz USLDNLGAVVYKDA-KKSFZXQISA-N 2 2 335.451 2.628 20 30 EFEDLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)O ZINC000276939454 267082076 /nfs/dbraw/zinc/08/20/76/267082076.db2.gz TXGHHIGIWQVGAE-IBGZPJMESA-N 2 2 329.488 2.908 20 30 EFEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000271831694 267182291 /nfs/dbraw/zinc/18/22/91/267182291.db2.gz FDGFNENGGYMMAH-SFHVURJKSA-N 3 2 349.482 2.816 20 30 EFEDLP C[C@H](O)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271900618 267190253 /nfs/dbraw/zinc/19/02/53/267190253.db2.gz VPBWXDXBDCMXGG-INIZCTEOSA-N 2 2 329.488 2.909 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311371 267226801 /nfs/dbraw/zinc/22/68/01/267226801.db2.gz OXYGUPKPGDJVOL-IFXJQAMLSA-N 2 2 335.455 2.531 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311371 267226803 /nfs/dbraw/zinc/22/68/03/267226803.db2.gz OXYGUPKPGDJVOL-IFXJQAMLSA-N 2 2 335.455 2.531 20 30 EFEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766534 267257293 /nfs/dbraw/zinc/25/72/93/267257293.db2.gz MRPBUUQMIZRXDT-INIZCTEOSA-N 2 2 332.879 2.818 20 30 EFEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766534 267257296 /nfs/dbraw/zinc/25/72/96/267257296.db2.gz MRPBUUQMIZRXDT-INIZCTEOSA-N 2 2 332.879 2.818 20 30 EFEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000271890227 267257628 /nfs/dbraw/zinc/25/76/28/267257628.db2.gz RSEHUBXWAPNSBB-FQEVSTJZSA-N 2 2 339.439 2.613 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cn4ccccc4n3)CC2)cc1 ZINC000271910380 268065516 /nfs/dbraw/zinc/06/55/16/268065516.db2.gz XUIXYWAIXCCWDG-UHFFFAOYSA-N 2 2 345.450 2.960 20 30 EFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000269433025 268073104 /nfs/dbraw/zinc/07/31/04/268073104.db2.gz QAAAKAPODIHYAQ-OALUTQOASA-N 2 2 331.435 2.555 20 30 EFEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573106 268111048 /nfs/dbraw/zinc/11/10/48/268111048.db2.gz VLHVKEPELFJUJN-FUHWJXTLSA-N 2 2 349.438 2.656 20 30 EFEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573106 268111049 /nfs/dbraw/zinc/11/10/49/268111049.db2.gz VLHVKEPELFJUJN-FUHWJXTLSA-N 2 2 349.438 2.656 20 30 EFEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458964 279040093 /nfs/dbraw/zinc/04/00/93/279040093.db2.gz VCVDPALXKXHUGA-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458964 279040095 /nfs/dbraw/zinc/04/00/95/279040095.db2.gz VCVDPALXKXHUGA-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458964 279040097 /nfs/dbraw/zinc/04/00/97/279040097.db2.gz VCVDPALXKXHUGA-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458964 279040099 /nfs/dbraw/zinc/04/00/99/279040099.db2.gz VCVDPALXKXHUGA-QZTJIDSGSA-N 2 2 342.487 2.595 20 30 EFEDLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC[C@H]1CCCO1 ZINC000328659754 295389623 /nfs/dbraw/zinc/38/96/23/295389623.db2.gz UCPLZSBPYNKDJN-DOTOQJQBSA-N 2 2 346.475 2.534 20 30 EFEDLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC[C@H]1CCCO1 ZINC000328659754 295389624 /nfs/dbraw/zinc/38/96/24/295389624.db2.gz UCPLZSBPYNKDJN-DOTOQJQBSA-N 2 2 346.475 2.534 20 30 EFEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000576764987 320047094 /nfs/dbraw/zinc/04/70/94/320047094.db2.gz DIMBRYKVLBLURD-ZDUSSCGKSA-N 2 2 328.441 2.734 20 30 EFEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000576764987 320047096 /nfs/dbraw/zinc/04/70/96/320047096.db2.gz DIMBRYKVLBLURD-ZDUSSCGKSA-N 2 2 328.441 2.734 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cscn3)CC2)cc1 ZINC000181911141 323254966 /nfs/dbraw/zinc/25/49/66/323254966.db2.gz IOBSAOBIDRYDQF-UHFFFAOYSA-N 2 2 326.469 2.811 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967391 473240525 /nfs/dbraw/zinc/24/05/25/473240525.db2.gz LGGDQHIXYTXJIN-PBHICJAKSA-N 2 2 346.862 2.566 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967391 473240528 /nfs/dbraw/zinc/24/05/28/473240528.db2.gz LGGDQHIXYTXJIN-PBHICJAKSA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967391 473240531 /nfs/dbraw/zinc/24/05/31/473240531.db2.gz LGGDQHIXYTXJIN-PBHICJAKSA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000139967391 473240535 /nfs/dbraw/zinc/24/05/35/473240535.db2.gz LGGDQHIXYTXJIN-PBHICJAKSA-N 2 2 346.862 2.566 20 30 EFEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304919 /nfs/dbraw/zinc/30/49/19/473304919.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 2 326.488 2.550 20 30 EFEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304927 /nfs/dbraw/zinc/30/49/27/473304927.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 2 326.488 2.550 20 30 EFEDLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304932 /nfs/dbraw/zinc/30/49/32/473304932.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 2 326.488 2.550 20 30 EFEDLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304938 /nfs/dbraw/zinc/30/49/38/473304938.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 2 326.488 2.550 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000631192738 479951687 /nfs/dbraw/zinc/95/16/87/479951687.db2.gz ACQPQSQWBCECMA-PKOBYXMFSA-N 2 2 339.487 2.712 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000631192738 479951691 /nfs/dbraw/zinc/95/16/91/479951691.db2.gz ACQPQSQWBCECMA-PKOBYXMFSA-N 2 2 339.487 2.712 20 30 EFEDLP Cc1cc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)on1 ZINC000068877116 472258378 /nfs/dbraw/zinc/25/83/78/472258378.db2.gz QTMQLMCBQCABQN-UHFFFAOYSA-N 2 2 328.416 2.806 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccc(Cl)cc1 ZINC000087171631 472313035 /nfs/dbraw/zinc/31/30/35/472313035.db2.gz VOXAGNAENAOLRH-GFCCVEGCSA-N 2 2 348.882 2.566 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156564945 472724151 /nfs/dbraw/zinc/72/41/51/472724151.db2.gz WIYMBSCCCKEWDL-VKJFTORMSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156564945 472724158 /nfs/dbraw/zinc/72/41/58/472724158.db2.gz WIYMBSCCCKEWDL-VKJFTORMSA-N 2 2 337.427 2.665 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000106245414 472835473 /nfs/dbraw/zinc/83/54/73/472835473.db2.gz HFUQZNXJVXWFTP-UHFFFAOYSA-N 2 2 349.431 2.742 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000106562934 472866684 /nfs/dbraw/zinc/86/66/84/472866684.db2.gz CRYNQGGGBNFKNF-INIZCTEOSA-N 2 2 331.464 2.687 20 30 EFEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC1CCCCCC1 ZINC000092277255 472886149 /nfs/dbraw/zinc/88/61/49/472886149.db2.gz QDDPCSSAYJTHQJ-UHFFFAOYSA-N 2 2 344.503 2.646 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017405 473027803 /nfs/dbraw/zinc/02/78/03/473027803.db2.gz QJSPVWLQIFHHKS-PKOBYXMFSA-N 2 2 343.471 2.522 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017405 473027810 /nfs/dbraw/zinc/02/78/10/473027810.db2.gz QJSPVWLQIFHHKS-PKOBYXMFSA-N 2 2 343.471 2.522 20 30 EFEDLP COCC[N@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093100108 473042283 /nfs/dbraw/zinc/04/22/83/473042283.db2.gz QPBVRPUMQDSLKB-UHFFFAOYSA-N 2 2 344.503 2.579 20 30 EFEDLP COCC[N@@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093100108 473042291 /nfs/dbraw/zinc/04/22/91/473042291.db2.gz QPBVRPUMQDSLKB-UHFFFAOYSA-N 2 2 344.503 2.579 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000160179507 473093631 /nfs/dbraw/zinc/09/36/31/473093631.db2.gz UBKJUIKHDHEIGV-OIISXLGYSA-N 2 2 342.462 2.881 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1 ZINC000160179507 473093634 /nfs/dbraw/zinc/09/36/34/473093634.db2.gz UBKJUIKHDHEIGV-OIISXLGYSA-N 2 2 342.462 2.881 20 30 EFEDLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093394876 473100852 /nfs/dbraw/zinc/10/08/52/473100852.db2.gz ZDAGTVPIUNMRKE-UHFFFAOYSA-N 2 2 345.487 2.648 20 30 EFEDLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093394876 473100856 /nfs/dbraw/zinc/10/08/56/473100856.db2.gz ZDAGTVPIUNMRKE-UHFFFAOYSA-N 2 2 345.487 2.648 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478474 473472430 /nfs/dbraw/zinc/47/24/30/473472430.db2.gz AYOXEXUSGUROJI-HZPDHXFCSA-N 2 2 335.517 2.535 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478474 473472434 /nfs/dbraw/zinc/47/24/34/473472434.db2.gz AYOXEXUSGUROJI-HZPDHXFCSA-N 2 2 335.517 2.535 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000185801196 473517170 /nfs/dbraw/zinc/51/71/70/473517170.db2.gz NNOMOFKRTTWLHM-IEBWSBKVSA-N 2 2 343.471 2.570 20 30 EFEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000172114326 473526488 /nfs/dbraw/zinc/52/64/88/473526488.db2.gz AJJBPNVBUPYVJP-UHFFFAOYSA-N 2 2 335.451 2.848 20 30 EFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000191515690 473549564 /nfs/dbraw/zinc/54/95/64/473549564.db2.gz YDAILTWRNAQNLG-UHFFFAOYSA-N 2 2 339.443 2.668 20 30 EFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000191515690 473549570 /nfs/dbraw/zinc/54/95/70/473549570.db2.gz YDAILTWRNAQNLG-UHFFFAOYSA-N 2 2 339.443 2.668 20 30 EFEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354595 473672304 /nfs/dbraw/zinc/67/23/04/473672304.db2.gz AYVLAILTLTUPBB-NRFANRHFSA-N 2 2 335.451 2.939 20 30 EFEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354595 473672309 /nfs/dbraw/zinc/67/23/09/473672309.db2.gz AYVLAILTLTUPBB-NRFANRHFSA-N 2 2 335.451 2.939 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357720 473673590 /nfs/dbraw/zinc/67/35/90/473673590.db2.gz MBXXLSZISPKASI-OAQYLSRUSA-N 2 2 335.451 2.939 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357720 473673592 /nfs/dbraw/zinc/67/35/92/473673592.db2.gz MBXXLSZISPKASI-OAQYLSRUSA-N 2 2 335.451 2.939 20 30 EFEDLP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245756154 473746266 /nfs/dbraw/zinc/74/62/66/473746266.db2.gz ZKVAEGTWHXYBCY-MAUKXSAKSA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245756154 473746273 /nfs/dbraw/zinc/74/62/73/473746273.db2.gz ZKVAEGTWHXYBCY-MAUKXSAKSA-N 2 2 337.427 2.666 20 30 EFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N(C)Cc1ccccc1 ZINC000263246872 473746472 /nfs/dbraw/zinc/74/64/72/473746472.db2.gz NERBJIGCQIMJGV-UHFFFAOYSA-N 2 2 348.454 2.783 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC000269353355 473783721 /nfs/dbraw/zinc/78/37/21/473783721.db2.gz SPAIPXDGRUZWLZ-UHFFFAOYSA-N 2 2 347.894 2.601 20 30 EFEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)ccc1C#N ZINC000281657331 473796916 /nfs/dbraw/zinc/79/69/16/473796916.db2.gz KLWOEQVTKCWIIM-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000269693266 473863686 /nfs/dbraw/zinc/86/36/86/473863686.db2.gz WQLHMNIAYNODDW-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000269693266 473863692 /nfs/dbraw/zinc/86/36/92/473863692.db2.gz WQLHMNIAYNODDW-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264079407 473947583 /nfs/dbraw/zinc/94/75/83/473947583.db2.gz TZFUUVAEDGTTJL-INIZCTEOSA-N 2 2 330.432 2.765 20 30 EFEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349863 474033228 /nfs/dbraw/zinc/03/32/28/474033228.db2.gz AKYQRGXXPOVFTN-RBUKOAKNSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349863 474033238 /nfs/dbraw/zinc/03/32/38/474033238.db2.gz AKYQRGXXPOVFTN-RBUKOAKNSA-N 2 2 341.499 2.664 20 30 EFEDLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000222154422 474163983 /nfs/dbraw/zinc/16/39/83/474163983.db2.gz YVZKSRQQUGCBRF-ZLGUVYLKSA-N 2 2 335.451 2.844 20 30 EFEDLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000222154422 474163992 /nfs/dbraw/zinc/16/39/92/474163992.db2.gz YVZKSRQQUGCBRF-ZLGUVYLKSA-N 2 2 335.451 2.844 20 30 EFEDLP COCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000282763317 474184506 /nfs/dbraw/zinc/18/45/06/474184506.db2.gz OJMIBHGKWJUKPI-UHFFFAOYSA-N 2 2 327.472 2.929 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C#N)c1C ZINC000265556933 474252167 /nfs/dbraw/zinc/25/21/67/474252167.db2.gz ZWOCOBVXJSDQBU-GFCCVEGCSA-N 2 2 341.415 2.698 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706458 474386734 /nfs/dbraw/zinc/38/67/34/474386734.db2.gz OTZVKQBVGGAGTN-NRFANRHFSA-N 2 2 334.467 2.995 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706458 474386746 /nfs/dbraw/zinc/38/67/46/474386746.db2.gz OTZVKQBVGGAGTN-NRFANRHFSA-N 2 2 334.467 2.995 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706458 474386754 /nfs/dbraw/zinc/38/67/54/474386754.db2.gz OTZVKQBVGGAGTN-NRFANRHFSA-N 2 2 334.467 2.995 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706458 474386759 /nfs/dbraw/zinc/38/67/59/474386759.db2.gz OTZVKQBVGGAGTN-NRFANRHFSA-N 2 2 334.467 2.995 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183563168 474393181 /nfs/dbraw/zinc/39/31/81/474393181.db2.gz SYLTZGBKEXCFHW-MRXNPFEDSA-N 2 2 346.471 2.930 20 30 EFEDLP N#CCCn1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(-c2ccccc2)n1 ZINC000271200866 474437952 /nfs/dbraw/zinc/43/79/52/474437952.db2.gz TXWPIUYYSASFRU-PKOBYXMFSA-N 2 2 335.455 2.648 20 30 EFEDLP N#CCCn1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(-c2ccccc2)n1 ZINC000271200866 474437958 /nfs/dbraw/zinc/43/79/58/474437958.db2.gz TXWPIUYYSASFRU-PKOBYXMFSA-N 2 2 335.455 2.648 20 30 EFEDLP C=CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCCC1 ZINC000625935148 480109492 /nfs/dbraw/zinc/10/94/92/480109492.db2.gz OMMJNNQRNDLFCS-UHFFFAOYSA-N 2 2 345.487 2.792 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000249387439 474564907 /nfs/dbraw/zinc/56/49/07/474564907.db2.gz RHNOMIFEBQOQHB-QFBILLFUSA-N 2 2 345.487 2.793 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000249387439 474564912 /nfs/dbraw/zinc/56/49/12/474564912.db2.gz RHNOMIFEBQOQHB-QFBILLFUSA-N 2 2 345.487 2.793 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277061077 474577008 /nfs/dbraw/zinc/57/70/08/474577008.db2.gz DCPSIABEUVDNCE-ZWKOTPCHSA-N 2 2 342.487 2.738 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277061077 474577013 /nfs/dbraw/zinc/57/70/13/474577013.db2.gz DCPSIABEUVDNCE-ZWKOTPCHSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101466 474926896 /nfs/dbraw/zinc/92/68/96/474926896.db2.gz AEIURZFDXYNSSP-RWQQGDIJSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[N@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101466 474926899 /nfs/dbraw/zinc/92/68/99/474926899.db2.gz AEIURZFDXYNSSP-RWQQGDIJSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101466 474926907 /nfs/dbraw/zinc/92/69/07/474926907.db2.gz AEIURZFDXYNSSP-RWQQGDIJSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101466 474926912 /nfs/dbraw/zinc/92/69/12/474926912.db2.gz AEIURZFDXYNSSP-RWQQGDIJSA-N 2 2 329.492 2.817 20 30 EFEDLP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000285635947 475034466 /nfs/dbraw/zinc/03/44/66/475034466.db2.gz YYTUGRACVHRIRP-QGZVFWFLSA-N 2 2 345.487 2.678 20 30 EFEDLP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccco1 ZINC000285736186 475039628 /nfs/dbraw/zinc/03/96/28/475039628.db2.gz RATADETVHOISQT-FBVQUNGASA-N 2 2 345.487 2.960 20 30 EFEDLP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccco1 ZINC000285736186 475039637 /nfs/dbraw/zinc/03/96/37/475039637.db2.gz RATADETVHOISQT-FBVQUNGASA-N 2 2 345.487 2.960 20 30 EFEDLP CC1CC[NH+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285848762 475044052 /nfs/dbraw/zinc/04/40/52/475044052.db2.gz XULPJLCKHUHNNK-UHFFFAOYSA-N 2 2 326.488 2.849 20 30 EFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286312322 475060836 /nfs/dbraw/zinc/06/08/36/475060836.db2.gz XFALGQPTWSIOGJ-FQEVSTJZSA-N 2 2 326.488 2.991 20 30 EFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286312322 475060845 /nfs/dbraw/zinc/06/08/45/475060845.db2.gz XFALGQPTWSIOGJ-FQEVSTJZSA-N 2 2 326.488 2.991 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268917488 475069259 /nfs/dbraw/zinc/06/92/59/475069259.db2.gz VVENTUKBYUOGSJ-KRWDZBQOSA-N 2 2 329.488 2.824 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000294883418 475090665 /nfs/dbraw/zinc/09/06/65/475090665.db2.gz DMZYOMMOSBQKGD-UHFFFAOYSA-N 3 2 333.907 2.849 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000294883418 475090674 /nfs/dbraw/zinc/09/06/74/475090674.db2.gz DMZYOMMOSBQKGD-UHFFFAOYSA-N 3 2 333.907 2.849 20 30 EFEDLP Cc1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)cc1C#N ZINC000292651378 475134107 /nfs/dbraw/zinc/13/41/07/475134107.db2.gz PFOCLMSIRBVOAF-UHFFFAOYSA-N 2 2 347.894 2.886 20 30 EFEDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)NC1CCCCC1 ZINC000329905768 475160651 /nfs/dbraw/zinc/16/06/51/475160651.db2.gz JSELZPHCTHWNSL-MRXNPFEDSA-N 2 2 346.431 2.738 20 30 EFEDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)NC1CCCCC1 ZINC000329905768 475160658 /nfs/dbraw/zinc/16/06/58/475160658.db2.gz JSELZPHCTHWNSL-MRXNPFEDSA-N 2 2 346.431 2.738 20 30 EFEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])Nc2cc(F)ccc2F)C[C@H](C)O1 ZINC000262245061 475206749 /nfs/dbraw/zinc/20/67/49/475206749.db2.gz CHPCWXNRTNHNTI-RYUDHWBXSA-N 2 2 340.418 2.579 20 30 EFEDLP Cc1ccc(C2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c[nH+]1 ZINC000330196712 475211218 /nfs/dbraw/zinc/21/12/18/475211218.db2.gz QTDCYMLVFDTKQN-KRWDZBQOSA-N 2 2 339.443 2.695 20 30 EFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](c2ccccc2)C1 ZINC000262470907 475248829 /nfs/dbraw/zinc/24/88/29/475248829.db2.gz OTAKWOLLPZVHEL-QGZVFWFLSA-N 2 2 337.471 2.784 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330657877 475261955 /nfs/dbraw/zinc/26/19/55/475261955.db2.gz OMSZUWMAOHHONY-MDZRGWNJSA-N 2 2 345.491 2.525 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330657877 475261964 /nfs/dbraw/zinc/26/19/64/475261964.db2.gz OMSZUWMAOHHONY-MDZRGWNJSA-N 2 2 345.491 2.525 20 30 EFEDLP N#CC1(F)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000352458722 475314219 /nfs/dbraw/zinc/31/42/19/475314219.db2.gz ODUVUHOGMHHAGK-UHFFFAOYSA-N 2 2 330.451 2.526 20 30 EFEDLP Cc1cc(C)c(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)[nH+]1 ZINC000331331522 475341498 /nfs/dbraw/zinc/34/14/98/475341498.db2.gz OQPYWKDYCDCTLA-OAHLLOKOSA-N 2 2 348.491 2.577 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000348115330 475401936 /nfs/dbraw/zinc/40/19/36/475401936.db2.gz XZSOKQXCFOVATD-PKOBYXMFSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000348115330 475401940 /nfs/dbraw/zinc/40/19/40/475401940.db2.gz XZSOKQXCFOVATD-PKOBYXMFSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000348115330 475401946 /nfs/dbraw/zinc/40/19/46/475401946.db2.gz XZSOKQXCFOVATD-PKOBYXMFSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000348115330 475401954 /nfs/dbraw/zinc/40/19/54/475401954.db2.gz XZSOKQXCFOVATD-PKOBYXMFSA-N 2 2 334.508 2.718 20 30 EFEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348300446 475573355 /nfs/dbraw/zinc/57/33/55/475573355.db2.gz AQBYHOHTZKAEAR-OTWHNJEPSA-N 2 2 342.487 2.575 20 30 EFEDLP CC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000362035025 475952708 /nfs/dbraw/zinc/95/27/08/475952708.db2.gz YQZCFFBOYNBFEC-UHFFFAOYSA-N 3 2 326.488 2.597 20 30 EFEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC2(C#N)CC2)CC1 ZINC000343583641 476089038 /nfs/dbraw/zinc/08/90/38/476089038.db2.gz UHBWGROHAZVVQF-HNNXBMFYSA-N 2 2 330.451 2.922 20 30 EFEDLP C[NH+](CCC[N@@H+](C)CCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000353573326 476091882 /nfs/dbraw/zinc/09/18/82/476091882.db2.gz LCGPMBMJTGKVKH-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@H+](C)CCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000353573326 476091890 /nfs/dbraw/zinc/09/18/90/476091890.db2.gz LCGPMBMJTGKVKH-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCOc1ccc(C#N)cc1 ZINC000353573326 476091898 /nfs/dbraw/zinc/09/18/98/476091898.db2.gz LCGPMBMJTGKVKH-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCOc1ccc(C#N)cc1 ZINC000353573326 476091906 /nfs/dbraw/zinc/09/19/06/476091906.db2.gz LCGPMBMJTGKVKH-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000299166933 476139167 /nfs/dbraw/zinc/13/91/67/476139167.db2.gz OYDGEMHHJJWFAN-IERDGZPVSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000299166933 476139171 /nfs/dbraw/zinc/13/91/71/476139171.db2.gz OYDGEMHHJJWFAN-IERDGZPVSA-N 2 2 335.451 2.628 20 30 EFEDLP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344326612 476253743 /nfs/dbraw/zinc/25/37/43/476253743.db2.gz KOHMEZGJYZPXCY-QUCCMNQESA-N 2 2 327.472 2.927 20 30 EFEDLP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000344330788 476256758 /nfs/dbraw/zinc/25/67/58/476256758.db2.gz VUVJRHHPGIQPEF-LBPRGKRZSA-N 2 2 338.249 2.679 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924450 476380260 /nfs/dbraw/zinc/38/02/60/476380260.db2.gz LRYPWFRKOJKUBN-AEFFLSMTSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924450 476380264 /nfs/dbraw/zinc/38/02/64/476380264.db2.gz LRYPWFRKOJKUBN-AEFFLSMTSA-N 2 2 336.524 2.541 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430798 476480440 /nfs/dbraw/zinc/48/04/40/476480440.db2.gz UMNBARIQABFWDZ-CEXWTWQISA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430798 476480448 /nfs/dbraw/zinc/48/04/48/476480448.db2.gz UMNBARIQABFWDZ-CEXWTWQISA-N 2 2 332.875 2.875 20 30 EFEDLP N#CCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CC1 ZINC000352023745 476518121 /nfs/dbraw/zinc/51/81/21/476518121.db2.gz AFURQVBBROENQB-UHFFFAOYSA-N 2 2 326.488 2.824 20 30 EFEDLP N#CCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CC1 ZINC000352023745 476518126 /nfs/dbraw/zinc/51/81/26/476518126.db2.gz AFURQVBBROENQB-UHFFFAOYSA-N 2 2 326.488 2.824 20 30 EFEDLP C=CCCCC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370158650 476681118 /nfs/dbraw/zinc/68/11/18/476681118.db2.gz DSLGSBUHNYHXMN-INIZCTEOSA-N 2 2 330.476 2.730 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000378165909 476685330 /nfs/dbraw/zinc/68/53/30/476685330.db2.gz LLJGWDBTQMFRBT-WIYYLYMNSA-N 2 2 343.515 2.516 20 30 EFEDLP C=C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156268 477156552 /nfs/dbraw/zinc/15/65/52/477156552.db2.gz QPXXYOZPJOZYOG-PKOBYXMFSA-N 2 2 341.499 2.631 20 30 EFEDLP C=C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156268 477156557 /nfs/dbraw/zinc/15/65/57/477156557.db2.gz QPXXYOZPJOZYOG-PKOBYXMFSA-N 2 2 341.499 2.631 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453300663 477208035 /nfs/dbraw/zinc/20/80/35/477208035.db2.gz ZCDVUMBCYQIOOR-AZUAARDMSA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453300663 477208043 /nfs/dbraw/zinc/20/80/43/477208043.db2.gz ZCDVUMBCYQIOOR-AZUAARDMSA-N 2 2 327.472 2.762 20 30 EFEDLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424130693 477301239 /nfs/dbraw/zinc/30/12/39/477301239.db2.gz HPINAFZEPJLWIC-YOEHRIQHSA-N 2 2 348.878 2.566 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000424167142 477315333 /nfs/dbraw/zinc/31/53/33/477315333.db2.gz BYBFJKZQGCARLY-AEFFLSMTSA-N 2 2 325.460 2.607 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000424167142 477315342 /nfs/dbraw/zinc/31/53/42/477315342.db2.gz BYBFJKZQGCARLY-AEFFLSMTSA-N 2 2 325.460 2.607 20 30 EFEDLP Cc1ncsc1C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435737042 477362665 /nfs/dbraw/zinc/36/26/65/477362665.db2.gz DBAWUXRLJJHHAS-QGZVFWFLSA-N 2 2 326.469 2.935 20 30 EFEDLP Cc1ncsc1C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435737042 477362670 /nfs/dbraw/zinc/36/26/70/477362670.db2.gz DBAWUXRLJJHHAS-QGZVFWFLSA-N 2 2 326.469 2.935 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C(C)C ZINC000455462797 477644119 /nfs/dbraw/zinc/64/41/19/477644119.db2.gz DLJSZZZMOOTNHQ-GVDBMIGSSA-N 2 2 345.491 2.887 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420367166 477725195 /nfs/dbraw/zinc/72/51/95/477725195.db2.gz MQUUENUWVXFYHU-SUNYJGFJSA-N 2 2 333.501 2.879 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420389777 477740577 /nfs/dbraw/zinc/74/05/77/477740577.db2.gz YTUYDUGENZHWIN-HUUCEWRRSA-N 2 2 333.501 2.820 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420389777 477740589 /nfs/dbraw/zinc/74/05/89/477740589.db2.gz YTUYDUGENZHWIN-HUUCEWRRSA-N 2 2 333.501 2.820 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)CC1 ZINC000420619607 477761477 /nfs/dbraw/zinc/76/14/77/477761477.db2.gz ACRDDXZNDBFWQD-UHFFFAOYSA-N 2 2 347.894 2.603 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)CC1 ZINC000420619607 477761482 /nfs/dbraw/zinc/76/14/82/477761482.db2.gz ACRDDXZNDBFWQD-UHFFFAOYSA-N 2 2 347.894 2.603 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000420978141 477871595 /nfs/dbraw/zinc/87/15/95/477871595.db2.gz IYNLSIPAYPRPKN-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000420978141 477871604 /nfs/dbraw/zinc/87/16/04/477871604.db2.gz IYNLSIPAYPRPKN-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP N#Cc1cnn2cc(C[NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)cnc12 ZINC000559273461 477971555 /nfs/dbraw/zinc/97/15/55/477971555.db2.gz PFUUSZXWHWQHPX-LJQANCHMSA-N 2 2 346.438 2.528 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000441045794 478189328 /nfs/dbraw/zinc/18/93/28/478189328.db2.gz ZTXFEEZOQVVTMT-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccc(C#N)c3)c2cc1C ZINC000561491403 478189656 /nfs/dbraw/zinc/18/96/56/478189656.db2.gz ZOEYRWLLRILKSJ-GOSISDBHSA-N 2 2 334.423 2.676 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495751633 478300815 /nfs/dbraw/zinc/30/08/15/478300815.db2.gz AUKVLCDVSSTXDL-GJZGRUSLSA-N 2 2 325.497 2.918 20 30 EFEDLP C[NH+]1CCC(C#N)(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000523649637 478387335 /nfs/dbraw/zinc/38/73/35/478387335.db2.gz CJUZRBBPAGQYLY-UHFFFAOYSA-N 2 2 336.395 2.592 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000525690512 478395638 /nfs/dbraw/zinc/39/56/38/478395638.db2.gz IGNATEFOFITOIV-GFCCVEGCSA-N 2 2 346.500 2.509 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCn4ccnc43)CC2)c1 ZINC000594507734 478416979 /nfs/dbraw/zinc/41/69/79/478416979.db2.gz QQCOQKHFTLIGNO-IBGZPJMESA-N 2 2 335.455 2.844 20 30 EFEDLP C=CCCSCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000594718917 478510093 /nfs/dbraw/zinc/51/00/93/478510093.db2.gz XDSHTRXSJUTMDL-MRXNPFEDSA-N 2 2 333.501 2.913 20 30 EFEDLP CCCn1nccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594951773 478601679 /nfs/dbraw/zinc/60/16/79/478601679.db2.gz YSQMBLFWSHDRAK-UHFFFAOYSA-N 2 2 337.471 2.919 20 30 EFEDLP Cc1cc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000591824436 478641908 /nfs/dbraw/zinc/64/19/08/478641908.db2.gz PXVBPUCGGYRAGS-GOSISDBHSA-N 2 2 338.480 2.713 20 30 EFEDLP Cc1cc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000591824436 478641911 /nfs/dbraw/zinc/64/19/11/478641911.db2.gz PXVBPUCGGYRAGS-GOSISDBHSA-N 2 2 338.480 2.713 20 30 EFEDLP C#CCn1ccc(C[N@H+](CC)Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000491813397 478692139 /nfs/dbraw/zinc/69/21/39/478692139.db2.gz ANXOMVVTWYBGFM-UHFFFAOYSA-N 2 2 325.441 2.786 20 30 EFEDLP C#CCn1ccc(C[N@@H+](CC)Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000491813397 478692147 /nfs/dbraw/zinc/69/21/47/478692147.db2.gz ANXOMVVTWYBGFM-UHFFFAOYSA-N 2 2 325.441 2.786 20 30 EFEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCC#N)c1ccc(OC)cc1 ZINC000564813488 478818293 /nfs/dbraw/zinc/81/82/93/478818293.db2.gz UHEYFGQLFXQLLX-MJGOQNOKSA-N 2 2 331.460 2.740 20 30 EFEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCC#N)c1ccc(OC)cc1 ZINC000564813488 478818301 /nfs/dbraw/zinc/81/83/01/478818301.db2.gz UHEYFGQLFXQLLX-MJGOQNOKSA-N 2 2 331.460 2.740 20 30 EFEDLP CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000598701913 478980164 /nfs/dbraw/zinc/98/01/64/478980164.db2.gz ZSYFKPIRZJKTEI-MOPGFXCFSA-N 2 2 329.488 2.714 20 30 EFEDLP CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000598701913 478980174 /nfs/dbraw/zinc/98/01/74/478980174.db2.gz ZSYFKPIRZJKTEI-MOPGFXCFSA-N 2 2 329.488 2.714 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCc3cccc(C#N)c3)c2cc1C ZINC000515055494 479112784 /nfs/dbraw/zinc/11/27/84/479112784.db2.gz VPAMKQJBPDGXDF-LJQANCHMSA-N 2 2 348.450 2.718 20 30 EFEDLP N#CCN1CCC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000610813431 479195271 /nfs/dbraw/zinc/19/52/71/479195271.db2.gz GYEPLSHDMCNZCT-UHFFFAOYSA-N 2 2 346.906 2.882 20 30 EFEDLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320211 479293845 /nfs/dbraw/zinc/29/38/45/479293845.db2.gz AQXLJKLQHPUNTK-OXQOHEQNSA-N 3 2 326.488 2.500 20 30 EFEDLP N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718676 479315582 /nfs/dbraw/zinc/31/55/82/479315582.db2.gz SQALAMZLRFYPMO-LJQANCHMSA-N 2 2 343.471 2.514 20 30 EFEDLP N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718676 479315587 /nfs/dbraw/zinc/31/55/87/479315587.db2.gz SQALAMZLRFYPMO-LJQANCHMSA-N 2 2 343.471 2.514 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000602505232 479372094 /nfs/dbraw/zinc/37/20/94/479372094.db2.gz VVCRFGCLTMKXPQ-PKOBYXMFSA-N 2 2 329.488 2.848 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611518274 479402938 /nfs/dbraw/zinc/40/29/38/479402938.db2.gz PAMWYGMCMYUWFH-LJQANCHMSA-N 2 2 346.438 2.992 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611518274 479402943 /nfs/dbraw/zinc/40/29/43/479402943.db2.gz PAMWYGMCMYUWFH-LJQANCHMSA-N 2 2 346.438 2.992 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000593695103 479426089 /nfs/dbraw/zinc/42/60/89/479426089.db2.gz IFXFXBSUFSFLHY-MRXNPFEDSA-N 2 2 327.472 2.927 20 30 EFEDLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1C ZINC000593725039 479435076 /nfs/dbraw/zinc/43/50/76/479435076.db2.gz ICFAYJXMPVDQNP-MRXNPFEDSA-N 2 2 337.471 2.915 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723730 479435609 /nfs/dbraw/zinc/43/56/09/479435609.db2.gz YBOMRUQIXJUBKN-OXJNMPFZSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723730 479435611 /nfs/dbraw/zinc/43/56/11/479435611.db2.gz YBOMRUQIXJUBKN-OXJNMPFZSA-N 3 2 326.488 2.595 20 30 EFEDLP Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000593967943 479525463 /nfs/dbraw/zinc/52/54/63/479525463.db2.gz AZVWVCCZLAQJKO-INIZCTEOSA-N 2 2 346.438 2.775 20 30 EFEDLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000593967943 479525472 /nfs/dbraw/zinc/52/54/72/479525472.db2.gz AZVWVCCZLAQJKO-INIZCTEOSA-N 2 2 346.438 2.775 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000578435433 479606030 /nfs/dbraw/zinc/60/60/30/479606030.db2.gz BJQWJQLHNQMIBX-SFHVURJKSA-N 2 2 337.423 2.592 20 30 EFEDLP C=CCC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000641784713 481073840 /nfs/dbraw/zinc/07/38/40/481073840.db2.gz FAPDJWVVQBBPGZ-RTBURBONSA-N 2 2 347.503 2.673 20 30 EFEDLP C=CC[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000660573543 482033615 /nfs/dbraw/zinc/03/36/15/482033615.db2.gz IFDDUJYOZVKWMT-QGZVFWFLSA-N 2 2 348.535 2.543 20 30 EFEDLP C=CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](C)COC ZINC000661242510 482387668 /nfs/dbraw/zinc/38/76/68/482387668.db2.gz BLYYGOYZHJXGTG-IRXDYDNUSA-N 2 2 331.460 2.537 20 30 EFEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000073449774 533938377 /nfs/dbraw/zinc/93/83/77/533938377.db2.gz ZDJZNMDWWUEMMJ-ROUUACIJSA-N 2 2 344.503 2.625 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173906820 526374866 /nfs/dbraw/zinc/37/48/66/526374866.db2.gz MUSCVMMUCOZWEJ-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173906820 526374870 /nfs/dbraw/zinc/37/48/70/526374870.db2.gz MUSCVMMUCOZWEJ-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173906820 526374872 /nfs/dbraw/zinc/37/48/72/526374872.db2.gz MUSCVMMUCOZWEJ-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173906820 526374875 /nfs/dbraw/zinc/37/48/75/526374875.db2.gz MUSCVMMUCOZWEJ-IRXDYDNUSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+](CC)c2ccccc2)CC1 ZINC000171704159 526432088 /nfs/dbraw/zinc/43/20/88/526432088.db2.gz HYPNTLLHCIXIAO-UHFFFAOYSA-N 2 2 344.503 2.853 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+](CC)c2ccccc2)CC1 ZINC000171704159 526432096 /nfs/dbraw/zinc/43/20/96/526432096.db2.gz HYPNTLLHCIXIAO-UHFFFAOYSA-N 2 2 344.503 2.853 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000177907445 526452217 /nfs/dbraw/zinc/45/22/17/526452217.db2.gz CISVKEGFAYCDIX-KRWDZBQOSA-N 3 2 331.504 2.928 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000177908569 526453069 /nfs/dbraw/zinc/45/30/69/526453069.db2.gz GNPGJKMCPBUTFY-HNNXBMFYSA-N 2 2 329.444 2.944 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000177904719 526454492 /nfs/dbraw/zinc/45/44/92/526454492.db2.gz MGWKQDXKGPQDHO-CYBMUJFWSA-N 2 2 336.867 2.692 20 30 EFEDLP C=C(C)COc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)ccc1OC ZINC000076898536 526660759 /nfs/dbraw/zinc/66/07/59/526660759.db2.gz UALDDUZMHUKQPM-KRWDZBQOSA-N 2 2 348.487 2.851 20 30 EFEDLP CC(C)(C)[S@](=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181764191 526746965 /nfs/dbraw/zinc/74/69/65/526746965.db2.gz DUHDZYAUVVQWBD-XMMPIXPASA-N 2 2 347.528 2.659 20 30 EFEDLP CC[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159971887 528816813 /nfs/dbraw/zinc/81/68/13/528816813.db2.gz RWSXKCFSJLIISZ-CXAGYDPISA-N 2 2 344.463 2.537 20 30 EFEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCc2ccccc21 ZINC000171611575 528818121 /nfs/dbraw/zinc/81/81/21/528818121.db2.gz VKVNHBUQUKIFAJ-UHFFFAOYSA-N 2 2 346.438 2.796 20 30 EFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000191519018 528863742 /nfs/dbraw/zinc/86/37/42/528863742.db2.gz WPHOEMMMTYQSDT-UHFFFAOYSA-N 2 2 339.443 2.668 20 30 EFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000191519018 528863747 /nfs/dbraw/zinc/86/37/47/528863747.db2.gz WPHOEMMMTYQSDT-UHFFFAOYSA-N 2 2 339.443 2.668 20 30 EFEDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174275045 529149832 /nfs/dbraw/zinc/14/98/32/529149832.db2.gz DTFKVOFDZUZTFH-UHFFFAOYSA-N 2 2 338.455 2.579 20 30 EFEDLP CCCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)CCC#N ZINC000414089631 535143427 /nfs/dbraw/zinc/14/34/27/535143427.db2.gz CELUROSYEBFLHB-MRXNPFEDSA-N 2 2 328.460 2.975 20 30 EFEDLP CCCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000414089631 535143432 /nfs/dbraw/zinc/14/34/32/535143432.db2.gz CELUROSYEBFLHB-MRXNPFEDSA-N 2 2 328.460 2.975 20 30 EFEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CCc2ccccc21 ZINC000262950641 535262374 /nfs/dbraw/zinc/26/23/74/535262374.db2.gz BWLANLCEOPNLEE-UHFFFAOYSA-N 2 2 333.439 2.905 20 30 EFEDLP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344151970 535769461 /nfs/dbraw/zinc/76/94/61/535769461.db2.gz XMOPTGMWUAHOGF-LPHOPBHVSA-N 2 2 329.488 2.909 20 30 EFEDLP CN(C)c1[nH+]cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1C ZINC000414362498 536160637 /nfs/dbraw/zinc/16/06/37/536160637.db2.gz JJDUMONIZRCTFA-UHFFFAOYSA-N 2 2 336.361 2.646 20 30 EFEDLP CC1CC[NH+](C2CCC([NH+]=C([O-])N3CCn4c[nH+]cc4C3)CC2)CC1 ZINC000329660711 545835775 /nfs/dbraw/zinc/83/57/75/545835775.db2.gz OFENTLDLLMJTKZ-UHFFFAOYSA-N 2 2 345.491 2.656 20 30 EFEDLP CC1CC[NH+](C2CCC(NC(=O)N3CCn4c[nH+]cc4C3)CC2)CC1 ZINC000329660711 545835779 /nfs/dbraw/zinc/83/57/79/545835779.db2.gz OFENTLDLLMJTKZ-UHFFFAOYSA-N 2 2 345.491 2.656 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000657335964 547116260 /nfs/dbraw/zinc/11/62/60/547116260.db2.gz VMAGAJBOBIDGIR-IBGZPJMESA-N 2 2 339.487 2.856 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000657335964 547116269 /nfs/dbraw/zinc/11/62/69/547116269.db2.gz VMAGAJBOBIDGIR-IBGZPJMESA-N 2 2 339.487 2.856 20 30 EFEDLP C=CCn1c(C)nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755780531 575632963 /nfs/dbraw/zinc/63/29/63/575632963.db2.gz ODPIBGJBWXPRRK-MRXNPFEDSA-N 2 2 335.521 2.530 20 30 EFEDLP C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755780531 575632966 /nfs/dbraw/zinc/63/29/66/575632966.db2.gz ODPIBGJBWXPRRK-MRXNPFEDSA-N 2 2 335.521 2.530 20 30 EFEDLP C=CCc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(O)c(OC)c1 ZINC000755787509 575634381 /nfs/dbraw/zinc/63/43/81/575634381.db2.gz ABYDRSHQRGQZCA-HNNXBMFYSA-N 2 2 327.428 2.852 20 30 EFEDLP C=CCc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(O)c(OC)c1 ZINC000755787509 575634385 /nfs/dbraw/zinc/63/43/85/575634385.db2.gz ABYDRSHQRGQZCA-HNNXBMFYSA-N 2 2 327.428 2.852 20 30 EFEDLP CC[N@H+](CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1)CC(C)C ZINC000758250297 575864839 /nfs/dbraw/zinc/86/48/39/575864839.db2.gz XWSUQMHOHWFESZ-UHFFFAOYSA-N 2 2 344.503 2.757 20 30 EFEDLP CC[N@@H+](CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1)CC(C)C ZINC000758250297 575864840 /nfs/dbraw/zinc/86/48/40/575864840.db2.gz XWSUQMHOHWFESZ-UHFFFAOYSA-N 2 2 344.503 2.757 20 30 EFEDLP Cc1cccc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000759766866 575931467 /nfs/dbraw/zinc/93/14/67/575931467.db2.gz OPCRQZWMDWBCSD-UHFFFAOYSA-N 2 2 327.428 2.773 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000765836172 577081684 /nfs/dbraw/zinc/08/16/84/577081684.db2.gz VMZUHFGMXLTIAG-UHFFFAOYSA-N 3 2 342.531 2.961 20 30 EFEDLP C#C[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975695 577396199 /nfs/dbraw/zinc/39/61/99/577396199.db2.gz HWHUDIRQZOEHEM-MAUKXSAKSA-N 2 2 347.890 2.547 20 30 EFEDLP C#C[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975695 577396200 /nfs/dbraw/zinc/39/62/00/577396200.db2.gz HWHUDIRQZOEHEM-MAUKXSAKSA-N 2 2 347.890 2.547 20 30 EFEDLP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850558426 1250535645 /nfs/dbraw/zinc/53/56/45/1250535645.db2.gz WIXRLVDDFFMHJD-QFBILLFUSA-N 2 2 328.456 2.603 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089493386 1252059223 /nfs/dbraw/zinc/05/92/23/1252059223.db2.gz VYWGAOCXMNJZKB-GVDBMIGSSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089493386 1252059230 /nfs/dbraw/zinc/05/92/30/1252059230.db2.gz VYWGAOCXMNJZKB-GVDBMIGSSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089493385 1252059468 /nfs/dbraw/zinc/05/94/68/1252059468.db2.gz VYWGAOCXMNJZKB-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089493385 1252059475 /nfs/dbraw/zinc/05/94/75/1252059475.db2.gz VYWGAOCXMNJZKB-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089694029 1252289502 /nfs/dbraw/zinc/28/95/02/1252289502.db2.gz RLEWCJCLAVBUGE-HUUCEWRRSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089694029 1252289507 /nfs/dbraw/zinc/28/95/07/1252289507.db2.gz RLEWCJCLAVBUGE-HUUCEWRRSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943517513 1253085018 /nfs/dbraw/zinc/08/50/18/1253085018.db2.gz OZOVZAXUSYTUOJ-AEFFLSMTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943517513 1253085029 /nfs/dbraw/zinc/08/50/29/1253085029.db2.gz OZOVZAXUSYTUOJ-AEFFLSMTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC000996038558 1254954557 /nfs/dbraw/zinc/95/45/57/1254954557.db2.gz JEDURKHIUUKHIZ-AWEZNQCLSA-N 2 2 332.835 2.527 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384797 1255714813 /nfs/dbraw/zinc/71/48/13/1255714813.db2.gz QMZFQALOIFIJOY-VQIMIIECSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384797 1255714818 /nfs/dbraw/zinc/71/48/18/1255714818.db2.gz QMZFQALOIFIJOY-VQIMIIECSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561927 1256140821 /nfs/dbraw/zinc/14/08/21/1256140821.db2.gz STQHIMXYMXALOK-YQVWRLOYSA-N 2 2 330.476 2.771 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561927 1256140824 /nfs/dbraw/zinc/14/08/24/1256140824.db2.gz STQHIMXYMXALOK-YQVWRLOYSA-N 2 2 330.476 2.771 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561940 1256141181 /nfs/dbraw/zinc/14/11/81/1256141181.db2.gz TVGRVGRKMDYQEU-ZHALLVOQSA-N 2 2 330.476 2.771 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561940 1256141184 /nfs/dbraw/zinc/14/11/84/1256141184.db2.gz TVGRVGRKMDYQEU-ZHALLVOQSA-N 2 2 330.476 2.771 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651948 1256366623 /nfs/dbraw/zinc/36/66/23/1256366623.db2.gz QLXPZVQPRVIATL-UYAOXDASSA-N 2 2 344.503 2.990 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651948 1256366632 /nfs/dbraw/zinc/36/66/32/1256366632.db2.gz QLXPZVQPRVIATL-UYAOXDASSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997144555 1257057350 /nfs/dbraw/zinc/05/73/50/1257057350.db2.gz GMWYKRDLLAGUEB-UHFFFAOYSA-N 2 2 344.846 2.819 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997218351 1257263977 /nfs/dbraw/zinc/26/39/77/1257263977.db2.gz AGELDEISXGAZJH-OAHLLOKOSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297950 1257367281 /nfs/dbraw/zinc/36/72/81/1257367281.db2.gz MDVSTSSSLPYHCY-ZBFHGGJFSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997671551 1258208242 /nfs/dbraw/zinc/20/82/42/1258208242.db2.gz AGELDEISXGAZJH-HNNXBMFYSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050699 1259025946 /nfs/dbraw/zinc/02/59/46/1259025946.db2.gz IDMWRFXUJNGJAV-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050699 1259025953 /nfs/dbraw/zinc/02/59/53/1259025953.db2.gz IDMWRFXUJNGJAV-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051897 1259033641 /nfs/dbraw/zinc/03/36/41/1259033641.db2.gz NQVDBOOYOHFKHV-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051897 1259033649 /nfs/dbraw/zinc/03/36/49/1259033649.db2.gz NQVDBOOYOHFKHV-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051903 1259034722 /nfs/dbraw/zinc/03/47/22/1259034722.db2.gz NQVDBOOYOHFKHV-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051903 1259034729 /nfs/dbraw/zinc/03/47/29/1259034729.db2.gz NQVDBOOYOHFKHV-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052864 1259035434 /nfs/dbraw/zinc/03/54/34/1259035434.db2.gz QOKZIOJTXGFQMA-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052864 1259035439 /nfs/dbraw/zinc/03/54/39/1259035439.db2.gz QOKZIOJTXGFQMA-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054283 1259039476 /nfs/dbraw/zinc/03/94/76/1259039476.db2.gz WNXWNGFGNCGZMW-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054283 1259039482 /nfs/dbraw/zinc/03/94/82/1259039482.db2.gz WNXWNGFGNCGZMW-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117883 1259128469 /nfs/dbraw/zinc/12/84/69/1259128469.db2.gz UPZPHKIVWYPPKY-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117883 1259128471 /nfs/dbraw/zinc/12/84/71/1259128471.db2.gz UPZPHKIVWYPPKY-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001002929532 1264298345 /nfs/dbraw/zinc/29/83/45/1264298345.db2.gz IYKCMLUZXQSQSL-UHFFFAOYSA-N 2 2 341.908 2.756 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754409 1264318526 /nfs/dbraw/zinc/31/85/26/1264318526.db2.gz MTHAZCGOIYPAHW-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754409 1264318539 /nfs/dbraw/zinc/31/85/39/1264318539.db2.gz MTHAZCGOIYPAHW-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458645 1267093304 /nfs/dbraw/zinc/09/33/04/1267093304.db2.gz OJTRAOSPFLVOQQ-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458645 1267093315 /nfs/dbraw/zinc/09/33/15/1267093315.db2.gz OJTRAOSPFLVOQQ-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458645 1267093327 /nfs/dbraw/zinc/09/33/27/1267093327.db2.gz OJTRAOSPFLVOQQ-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458645 1267093339 /nfs/dbraw/zinc/09/33/39/1267093339.db2.gz OJTRAOSPFLVOQQ-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004499668 1267171750 /nfs/dbraw/zinc/17/17/50/1267171750.db2.gz LVMPFAADLLFMRR-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004499668 1267171754 /nfs/dbraw/zinc/17/17/54/1267171754.db2.gz LVMPFAADLLFMRR-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566604 1267300753 /nfs/dbraw/zinc/30/07/53/1267300753.db2.gz FLBZUYGQQNJBIC-PKOBYXMFSA-N 2 2 342.487 2.561 20 30 EFEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566604 1267300762 /nfs/dbraw/zinc/30/07/62/1267300762.db2.gz FLBZUYGQQNJBIC-PKOBYXMFSA-N 2 2 342.487 2.561 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004566602 1267301259 /nfs/dbraw/zinc/30/12/59/1267301259.db2.gz FLBZUYGQQNJBIC-MJGOQNOKSA-N 2 2 342.487 2.561 20 30 EFEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001004566602 1267301268 /nfs/dbraw/zinc/30/12/68/1267301268.db2.gz FLBZUYGQQNJBIC-MJGOQNOKSA-N 2 2 342.487 2.561 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631796 1267346871 /nfs/dbraw/zinc/34/68/71/1267346871.db2.gz ZXYIEVUQOWUYNN-XMTFNYHQSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631796 1267346881 /nfs/dbraw/zinc/34/68/81/1267346881.db2.gz ZXYIEVUQOWUYNN-XMTFNYHQSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631796 1267346887 /nfs/dbraw/zinc/34/68/87/1267346887.db2.gz ZXYIEVUQOWUYNN-XMTFNYHQSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631796 1267346896 /nfs/dbraw/zinc/34/68/96/1267346896.db2.gz ZXYIEVUQOWUYNN-XMTFNYHQSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cccc1C1CCOCC1 ZINC001171070981 1278344328 /nfs/dbraw/zinc/34/43/28/1278344328.db2.gz OZWPHOBKMQSLET-KRWDZBQOSA-N 2 2 347.459 2.614 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033468419 1269211121 /nfs/dbraw/zinc/21/11/21/1269211121.db2.gz ZHLFBNCXTALMMU-CVEARBPZSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033468419 1269211130 /nfs/dbraw/zinc/21/11/30/1269211130.db2.gz ZHLFBNCXTALMMU-CVEARBPZSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685111 1269793950 /nfs/dbraw/zinc/79/39/50/1269793950.db2.gz KSRMTIMXSVJKLF-INIZCTEOSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685111 1269793961 /nfs/dbraw/zinc/79/39/61/1269793961.db2.gz KSRMTIMXSVJKLF-INIZCTEOSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855545 1270396634 /nfs/dbraw/zinc/39/66/34/1270396634.db2.gz KHMOQUALAHDYNE-DLBZAZTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855545 1270396650 /nfs/dbraw/zinc/39/66/50/1270396650.db2.gz KHMOQUALAHDYNE-DLBZAZTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855545 1270396657 /nfs/dbraw/zinc/39/66/57/1270396657.db2.gz KHMOQUALAHDYNE-DLBZAZTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855545 1270396664 /nfs/dbraw/zinc/39/66/64/1270396664.db2.gz KHMOQUALAHDYNE-DLBZAZTESA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005431245 1270486208 /nfs/dbraw/zinc/48/62/08/1270486208.db2.gz GEKFHYKKDXNMFT-UHFFFAOYSA-N 2 2 344.503 2.651 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950591 1270673827 /nfs/dbraw/zinc/67/38/27/1270673827.db2.gz VSTIXUCUEZFAQB-HOTGVXAUSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950591 1270673839 /nfs/dbraw/zinc/67/38/39/1270673839.db2.gz VSTIXUCUEZFAQB-HOTGVXAUSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284517 1271561735 /nfs/dbraw/zinc/56/17/35/1271561735.db2.gz LMCVROYECIMXAL-HNNXBMFYSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284517 1271561736 /nfs/dbraw/zinc/56/17/36/1271561736.db2.gz LMCVROYECIMXAL-HNNXBMFYSA-N 2 2 346.862 2.980 20 30 EFEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092126 1272670459 /nfs/dbraw/zinc/67/04/59/1272670459.db2.gz YAVAQKAKWZEFKA-MZADTFQBSA-N 2 2 338.499 2.737 20 30 EFEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092126 1272670467 /nfs/dbraw/zinc/67/04/67/1272670467.db2.gz YAVAQKAKWZEFKA-MZADTFQBSA-N 2 2 338.499 2.737 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108711327 1273407230 /nfs/dbraw/zinc/40/72/30/1273407230.db2.gz FIOQTXFMDMPSGC-BZSNNMDCSA-N 2 2 344.503 2.862 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735875 1273426508 /nfs/dbraw/zinc/42/65/08/1273426508.db2.gz NZWBFFUXUKDBKG-OTWHNJEPSA-N 2 2 344.503 2.989 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108769607 1273458602 /nfs/dbraw/zinc/45/86/02/1273458602.db2.gz XKYXVKUVHIZUDD-JZXOWHBKSA-N 2 2 332.492 2.892 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108799417 1273492852 /nfs/dbraw/zinc/49/28/52/1273492852.db2.gz ORIMRYVIPTWIMY-KSZLIROESA-N 2 2 346.519 2.902 20 30 EFEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001005791616 1273560641 /nfs/dbraw/zinc/56/06/41/1273560641.db2.gz TZYCVACXKJMCSK-UHFFFAOYSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035199742 1273768811 /nfs/dbraw/zinc/76/88/11/1273768811.db2.gz JYGSPWNZKWUQAB-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035199742 1273768818 /nfs/dbraw/zinc/76/88/18/1273768818.db2.gz JYGSPWNZKWUQAB-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035202090 1273773911 /nfs/dbraw/zinc/77/39/11/1273773911.db2.gz ZNWNYZGXKKCORV-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035202090 1273773919 /nfs/dbraw/zinc/77/39/19/1273773919.db2.gz ZNWNYZGXKKCORV-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1ccn3c(C)c[nH+]c3c1)CC2 ZINC001035705091 1274383354 /nfs/dbraw/zinc/38/33/54/1274383354.db2.gz TXGNBWQWRVFLCC-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035807224 1274535139 /nfs/dbraw/zinc/53/51/39/1274535139.db2.gz HYKMJXRVBDTELU-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035859665 1274614258 /nfs/dbraw/zinc/61/42/58/1274614258.db2.gz WGTRHFGYXNHZRH-MRXNPFEDSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035859665 1274614266 /nfs/dbraw/zinc/61/42/66/1274614266.db2.gz WGTRHFGYXNHZRH-MRXNPFEDSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001036120883 1275079533 /nfs/dbraw/zinc/07/95/33/1275079533.db2.gz BCGWWIWKXPVJDK-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570291 1275224483 /nfs/dbraw/zinc/22/44/83/1275224483.db2.gz OZVJTESVFMNXIU-KNBMTAEXSA-N 2 2 344.503 2.834 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001112965779 1276353915 /nfs/dbraw/zinc/35/39/15/1276353915.db2.gz NQZUDZQNIOKCKD-QGZVFWFLSA-N 2 2 330.476 2.651 20 30 EFEDLP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136057515 1276374410 /nfs/dbraw/zinc/37/44/10/1276374410.db2.gz YZVKZKAWGBJSDO-IAGOWNOFSA-N 2 2 334.508 2.972 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817916704 1276375615 /nfs/dbraw/zinc/37/56/15/1276375615.db2.gz AOFNRXNZIJGCOK-UAGQMJEPSA-N 2 2 331.460 2.996 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)ccc1OC ZINC000817918670 1276375894 /nfs/dbraw/zinc/37/58/94/1276375894.db2.gz MJEFIIFBBNFXGO-IKGGRYGDSA-N 2 2 331.460 2.996 20 30 EFEDLP Cn1nc(C2CC2)cc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000922947828 1276390456 /nfs/dbraw/zinc/39/04/56/1276390456.db2.gz QQELRIJZMMWKOV-UHFFFAOYSA-N 2 2 349.482 2.923 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995024 1276436545 /nfs/dbraw/zinc/43/65/45/1276436545.db2.gz OZUUTUWBISKNJJ-ROUUACIJSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896671 1276502406 /nfs/dbraw/zinc/50/24/06/1276502406.db2.gz ZARQCBUUHIJLSJ-YJBOKZPZSA-N 2 2 347.507 2.631 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896671 1276502408 /nfs/dbraw/zinc/50/24/08/1276502408.db2.gz ZARQCBUUHIJLSJ-YJBOKZPZSA-N 2 2 347.507 2.631 20 30 EFEDLP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2F)CC1 ZINC000819034297 1276595302 /nfs/dbraw/zinc/59/53/02/1276595302.db2.gz ZXXUPLLVCOQDNQ-QGZVFWFLSA-N 2 2 343.450 2.501 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113266375 1277444052 /nfs/dbraw/zinc/44/40/52/1277444052.db2.gz XXVRXKTUMPMGED-GOSISDBHSA-N 2 2 346.519 2.869 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171212848 1280028868 /nfs/dbraw/zinc/02/88/68/1280028868.db2.gz QTHFYELYUGFICD-HNNXBMFYSA-N 2 2 347.422 2.780 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171212848 1280028872 /nfs/dbraw/zinc/02/88/72/1280028872.db2.gz QTHFYELYUGFICD-HNNXBMFYSA-N 2 2 347.422 2.780 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503402 1287454434 /nfs/dbraw/zinc/45/44/34/1287454434.db2.gz OUNJMIQNTXVRRN-GJZGRUSLSA-N 2 2 326.872 2.851 20 30 EFEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170783291 1287457184 /nfs/dbraw/zinc/45/71/84/1287457184.db2.gz FBGLIKKLOUQZBE-OAHLLOKOSA-N 2 2 326.444 2.544 20 30 EFEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682409 1281234294 /nfs/dbraw/zinc/23/42/94/1281234294.db2.gz PZJFCLBEEPAGLH-UHFFFAOYSA-N 2 2 332.492 2.847 20 30 EFEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682409 1281234299 /nfs/dbraw/zinc/23/42/99/1281234299.db2.gz PZJFCLBEEPAGLH-UHFFFAOYSA-N 2 2 332.492 2.847 20 30 EFEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682409 1281234305 /nfs/dbraw/zinc/23/43/05/1281234305.db2.gz PZJFCLBEEPAGLH-UHFFFAOYSA-N 2 2 332.492 2.847 20 30 EFEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682409 1281234311 /nfs/dbraw/zinc/23/43/11/1281234311.db2.gz PZJFCLBEEPAGLH-UHFFFAOYSA-N 2 2 332.492 2.847 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357366 1281527617 /nfs/dbraw/zinc/52/76/17/1281527617.db2.gz KWSSKLGPYYSVFS-SJORKVTESA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357366 1281527625 /nfs/dbraw/zinc/52/76/25/1281527625.db2.gz KWSSKLGPYYSVFS-SJORKVTESA-N 2 2 330.476 2.723 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935605 1281958580 /nfs/dbraw/zinc/95/85/80/1281958580.db2.gz WDTKGBWHZIITGQ-SFHVURJKSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945522 1281979764 /nfs/dbraw/zinc/97/97/64/1281979764.db2.gz CWGAQRHMCJIQMQ-MRXNPFEDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945586 1281980270 /nfs/dbraw/zinc/98/02/70/1281980270.db2.gz FGUDNVMBHWXFFO-SJORKVTESA-N 2 2 330.476 2.723 20 30 EFEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946173 1281983978 /nfs/dbraw/zinc/98/39/78/1281983978.db2.gz SATCIZOTKLPHCA-MSOLQXFVSA-N 2 2 342.487 2.561 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001086928189 1281991871 /nfs/dbraw/zinc/99/18/71/1281991871.db2.gz XPBMJFHTOLNUBH-BRWVUGGUSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001086928189 1281991882 /nfs/dbraw/zinc/99/18/82/1281991882.db2.gz XPBMJFHTOLNUBH-BRWVUGGUSA-N 2 2 342.487 2.792 20 30 EFEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001086929353 1281993163 /nfs/dbraw/zinc/99/31/63/1281993163.db2.gz FLLOBQNSSPKKNQ-OAHLLOKOSA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959495 1282034026 /nfs/dbraw/zinc/03/40/26/1282034026.db2.gz GTWWWBCOZXGQFN-KRWDZBQOSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091849021 1282166479 /nfs/dbraw/zinc/16/64/79/1282166479.db2.gz MTGKNNWCRBRVRW-UZLBHIALSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091849021 1282166482 /nfs/dbraw/zinc/16/64/82/1282166482.db2.gz MTGKNNWCRBRVRW-UZLBHIALSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608692 1282844375 /nfs/dbraw/zinc/84/43/75/1282844375.db2.gz WXJYDWZIXZHXQA-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608692 1282844383 /nfs/dbraw/zinc/84/43/83/1282844383.db2.gz WXJYDWZIXZHXQA-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211686 1283139994 /nfs/dbraw/zinc/13/99/94/1283139994.db2.gz QGQGPQYJLVESNV-HOTGVXAUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211686 1283139998 /nfs/dbraw/zinc/13/99/98/1283139998.db2.gz QGQGPQYJLVESNV-HOTGVXAUSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717484 1283222780 /nfs/dbraw/zinc/22/27/80/1283222780.db2.gz WNHXVBOAEGVWGV-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717484 1283222782 /nfs/dbraw/zinc/22/27/82/1283222782.db2.gz WNHXVBOAEGVWGV-QZTJIDSGSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717586 1283222856 /nfs/dbraw/zinc/22/28/56/1283222856.db2.gz YBUAGRUFEXFSGC-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717586 1283222860 /nfs/dbraw/zinc/22/28/60/1283222860.db2.gz YBUAGRUFEXFSGC-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310210 1283306153 /nfs/dbraw/zinc/30/61/53/1283306153.db2.gz JJQADTFXWMKXQE-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310210 1283306165 /nfs/dbraw/zinc/30/61/65/1283306165.db2.gz JJQADTFXWMKXQE-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310210 1283306176 /nfs/dbraw/zinc/30/61/76/1283306176.db2.gz JJQADTFXWMKXQE-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310210 1283306185 /nfs/dbraw/zinc/30/61/85/1283306185.db2.gz JJQADTFXWMKXQE-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132355434 1283381547 /nfs/dbraw/zinc/38/15/47/1283381547.db2.gz ZLQRGGFEQSPGQC-ZBFHGGJFSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132355434 1283381554 /nfs/dbraw/zinc/38/15/54/1283381554.db2.gz ZLQRGGFEQSPGQC-ZBFHGGJFSA-N 2 2 338.883 2.693 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423490 1283521189 /nfs/dbraw/zinc/52/11/89/1283521189.db2.gz AAMOQDASZIONOI-IRXDYDNUSA-N 2 2 334.508 2.902 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423490 1283521203 /nfs/dbraw/zinc/52/12/03/1283521203.db2.gz AAMOQDASZIONOI-IRXDYDNUSA-N 2 2 334.508 2.902 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782401 1283630017 /nfs/dbraw/zinc/63/00/17/1283630017.db2.gz JBDQGMNRUKHWBT-MJGOQNOKSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782401 1283630039 /nfs/dbraw/zinc/63/00/39/1283630039.db2.gz JBDQGMNRUKHWBT-MJGOQNOKSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001093368325 1283797352 /nfs/dbraw/zinc/79/73/52/1283797352.db2.gz XCHRRGJSAWBIAZ-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001093368325 1283797356 /nfs/dbraw/zinc/79/73/56/1283797356.db2.gz XCHRRGJSAWBIAZ-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001093374729 1283821001 /nfs/dbraw/zinc/82/10/01/1283821001.db2.gz LOUYIJFWSGKLKY-LJQANCHMSA-N 2 2 342.487 2.552 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001093374729 1283821009 /nfs/dbraw/zinc/82/10/09/1283821009.db2.gz LOUYIJFWSGKLKY-LJQANCHMSA-N 2 2 342.487 2.552 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823705 1284334530 /nfs/dbraw/zinc/33/45/30/1284334530.db2.gz KOAFFQBCVXRCDK-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823430 1284334571 /nfs/dbraw/zinc/33/45/71/1284334571.db2.gz FWNNISQQHRFWEF-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919199 1284466943 /nfs/dbraw/zinc/46/69/43/1284466943.db2.gz FVKILAVLVYMGHS-DOTOQJQBSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132920635 1284468728 /nfs/dbraw/zinc/46/87/28/1284468728.db2.gz TVCXRGAFHXRVCR-ZBFHGGJFSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132925000 1284474340 /nfs/dbraw/zinc/47/43/40/1284474340.db2.gz SKWTYQQYNSFVGQ-SJLPKXTDSA-N 2 2 345.487 2.673 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132983402 1284569336 /nfs/dbraw/zinc/56/93/36/1284569336.db2.gz ZADVLKYPYJTEJL-ZFWWWQNUSA-N 2 2 346.862 2.775 20 30 EFEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133001723 1284589796 /nfs/dbraw/zinc/58/97/96/1284589796.db2.gz FUYQKBBQGUYRGZ-KBXCAEBGSA-N 2 2 327.472 2.718 20 30 EFEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001133012851 1284656053 /nfs/dbraw/zinc/65/60/53/1284656053.db2.gz VGGNCPHODIXWOD-AEFFLSMTSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133241632 1285035777 /nfs/dbraw/zinc/03/57/77/1285035777.db2.gz KAACZPIMPRNWQD-MSOLQXFVSA-N 2 2 346.519 2.783 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133241796 1285038448 /nfs/dbraw/zinc/03/84/48/1285038448.db2.gz KYIFEAGCKHDRNB-CVEARBPZSA-N 2 2 332.492 2.728 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449761 1285119627 /nfs/dbraw/zinc/11/96/27/1285119627.db2.gz WBORDZLQLIKAEM-UYAOXDASSA-N 2 2 336.439 2.561 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449761 1285119632 /nfs/dbraw/zinc/11/96/32/1285119632.db2.gz WBORDZLQLIKAEM-UYAOXDASSA-N 2 2 336.439 2.561 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576549 1285656666 /nfs/dbraw/zinc/65/66/66/1285656666.db2.gz BKQPMKHDDRJXCG-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179009597 1289021565 /nfs/dbraw/zinc/02/15/65/1289021565.db2.gz MHQMWVQQXDGDOE-LNLFQRSKSA-N 2 2 344.503 2.771 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171597039 1285668533 /nfs/dbraw/zinc/66/85/33/1285668533.db2.gz UROCPSRZXKHBLL-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603566 1285672232 /nfs/dbraw/zinc/67/22/32/1285672232.db2.gz BJRPHHPHFAKUMJ-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171607141 1285674191 /nfs/dbraw/zinc/67/41/91/1285674191.db2.gz ZLVNDTNYXCFLMQ-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784253 1285803555 /nfs/dbraw/zinc/80/35/55/1285803555.db2.gz LSNDFJWZQNOMEA-AWEZNQCLSA-N 2 2 334.851 2.965 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172303997 1286090657 /nfs/dbraw/zinc/09/06/57/1286090657.db2.gz JPRHASVKQIDVDE-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172303997 1286090662 /nfs/dbraw/zinc/09/06/62/1286090662.db2.gz JPRHASVKQIDVDE-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172303997 1286090667 /nfs/dbraw/zinc/09/06/67/1286090667.db2.gz JPRHASVKQIDVDE-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172303997 1286090670 /nfs/dbraw/zinc/09/06/70/1286090670.db2.gz JPRHASVKQIDVDE-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC001172308141 1286091905 /nfs/dbraw/zinc/09/19/05/1286091905.db2.gz UGDLSDNOAJAJNI-INIZCTEOSA-N 2 2 335.455 2.718 20 30 EFEDLP C[C@@H](CCCC#N)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496392 1286170102 /nfs/dbraw/zinc/17/01/02/1286170102.db2.gz ZWLQIKWIYGEWPW-DLBZAZTESA-N 2 2 328.460 2.881 20 30 EFEDLP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001172497945 1286171578 /nfs/dbraw/zinc/17/15/78/1286171578.db2.gz HKZVFMIMRXIXGM-KRWDZBQOSA-N 2 2 328.460 2.835 20 30 EFEDLP C[C@H](CCCC#N)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001172497644 1286172177 /nfs/dbraw/zinc/17/21/77/1286172177.db2.gz DSVPFZIYDMYWNE-QGZVFWFLSA-N 2 2 329.492 2.933 20 30 EFEDLP C[C@H](CCCC#N)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001172497644 1286172181 /nfs/dbraw/zinc/17/21/81/1286172181.db2.gz DSVPFZIYDMYWNE-QGZVFWFLSA-N 2 2 329.492 2.933 20 30 EFEDLP CC1(C#N)CCC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173595549 1286710273 /nfs/dbraw/zinc/71/02/73/1286710273.db2.gz RCPROLSDPPSYNG-UHFFFAOYSA-N 2 2 327.476 2.767 20 30 EFEDLP CC1(C#N)CCC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173595549 1286710279 /nfs/dbraw/zinc/71/02/79/1286710279.db2.gz RCPROLSDPPSYNG-UHFFFAOYSA-N 2 2 327.476 2.767 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176775237 1288105766 /nfs/dbraw/zinc/10/57/66/1288105766.db2.gz LXQKOIYVEYBCRM-IEBWSBKVSA-N 2 2 346.519 2.915 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177341774 1288399825 /nfs/dbraw/zinc/39/98/25/1288399825.db2.gz BVUUCRADTNDMFJ-QZTJIDSGSA-N 2 2 342.487 2.535 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177341774 1288399833 /nfs/dbraw/zinc/39/98/33/1288399833.db2.gz BVUUCRADTNDMFJ-QZTJIDSGSA-N 2 2 342.487 2.535 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001177352698 1288414649 /nfs/dbraw/zinc/41/46/49/1288414649.db2.gz HTACUBHOHKMVHM-GOSISDBHSA-N 2 2 344.503 2.630 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177437616 1288442001 /nfs/dbraw/zinc/44/20/01/1288442001.db2.gz UZSUDXQSWQJNIE-QGZVFWFLSA-N 2 2 344.503 2.610 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177437616 1288442010 /nfs/dbraw/zinc/44/20/10/1288442010.db2.gz UZSUDXQSWQJNIE-QGZVFWFLSA-N 2 2 344.503 2.610 20 30 EFEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841248 1288473367 /nfs/dbraw/zinc/47/33/67/1288473367.db2.gz XYVWPHNBNCQJQH-CVEARBPZSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135916699 1288597174 /nfs/dbraw/zinc/59/71/74/1288597174.db2.gz QWMLLULVTFOTCY-HZPDHXFCSA-N 2 2 341.459 2.720 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178880151 1288956449 /nfs/dbraw/zinc/95/64/49/1288956449.db2.gz JBFZVFGUAFYOMY-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932809 1288971977 /nfs/dbraw/zinc/97/19/77/1288971977.db2.gz VDNKMKQFVJYABP-HZMVEIRTSA-N 2 2 330.476 2.839 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932809 1288971981 /nfs/dbraw/zinc/97/19/81/1288971981.db2.gz VDNKMKQFVJYABP-HZMVEIRTSA-N 2 2 330.476 2.839 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179018809 1289006364 /nfs/dbraw/zinc/00/63/64/1289006364.db2.gz JSKLIWJAFNKSOZ-KSZLIROESA-N 2 2 344.503 2.771 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022689 1289009831 /nfs/dbraw/zinc/00/98/31/1289009831.db2.gz SKWBITSLAUPRFY-LNLFQRSKSA-N 2 2 344.503 2.771 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165838350 1312690968 /nfs/dbraw/zinc/69/09/68/1312690968.db2.gz ZKSUZVFZMPUDLV-IRXDYDNUSA-N 2 2 344.503 2.676 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180033122 1289389516 /nfs/dbraw/zinc/38/95/16/1289389516.db2.gz LIUHAEUQYGMLGE-WMZOPIPTSA-N 2 2 334.508 2.902 20 30 EFEDLP C=CCCCCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065028 1289403960 /nfs/dbraw/zinc/40/39/60/1289403960.db2.gz FIONGGOMRHBVQP-UHFFFAOYSA-N 2 2 334.508 2.975 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001180387086 1289503964 /nfs/dbraw/zinc/50/39/64/1289503964.db2.gz KIBRFUQGJMDTBH-GOSISDBHSA-N 2 2 332.492 2.527 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181680500 1289903748 /nfs/dbraw/zinc/90/37/48/1289903748.db2.gz ZUTYQXUGJVXLDS-GPMSIDNRSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181680500 1289903753 /nfs/dbraw/zinc/90/37/53/1289903753.db2.gz ZUTYQXUGJVXLDS-GPMSIDNRSA-N 2 2 332.492 2.771 20 30 EFEDLP N#Cc1ccc(N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)nc1 ZINC001277687794 1312742220 /nfs/dbraw/zinc/74/22/20/1312742220.db2.gz DSLGKEHIBMXRKW-MOPGFXCFSA-N 2 2 336.443 2.697 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767784 1290250838 /nfs/dbraw/zinc/25/08/38/1290250838.db2.gz LFIFRMUKAIBNDR-ZHALLVOQSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399858 1290455078 /nfs/dbraw/zinc/45/50/78/1290455078.db2.gz OYTGIMKUTAWRQG-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CCCCC[N@@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273501019 1290633712 /nfs/dbraw/zinc/63/37/12/1290633712.db2.gz QHBGGJZBAHZDEE-HXUWFJFHSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCC[N@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273501019 1290633721 /nfs/dbraw/zinc/63/37/21/1290633721.db2.gz QHBGGJZBAHZDEE-HXUWFJFHSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185790222 1290762853 /nfs/dbraw/zinc/76/28/53/1290762853.db2.gz YSOQLCPZEOHBJP-ZWKOTPCHSA-N 2 2 332.492 2.704 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001137116906 1291139168 /nfs/dbraw/zinc/13/91/68/1291139168.db2.gz VBYWSWKFGBEOLX-OALUTQOASA-N 2 2 348.450 2.548 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286558 1291367421 /nfs/dbraw/zinc/36/74/21/1291367421.db2.gz VXHZNLYEMNVUPA-GBESFXJTSA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286558 1291367435 /nfs/dbraw/zinc/36/74/35/1291367435.db2.gz VXHZNLYEMNVUPA-GBESFXJTSA-N 2 2 344.503 2.969 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001233081834 1312851750 /nfs/dbraw/zinc/85/17/50/1312851750.db2.gz QUYILNQHLJEASJ-BGYRXZFFSA-N 2 2 332.451 2.826 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001233081834 1312851754 /nfs/dbraw/zinc/85/17/54/1312851754.db2.gz QUYILNQHLJEASJ-BGYRXZFFSA-N 2 2 332.451 2.826 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001233081834 1312851756 /nfs/dbraw/zinc/85/17/56/1312851756.db2.gz QUYILNQHLJEASJ-BGYRXZFFSA-N 2 2 332.451 2.826 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001233081834 1312851760 /nfs/dbraw/zinc/85/17/60/1312851760.db2.gz QUYILNQHLJEASJ-BGYRXZFFSA-N 2 2 332.451 2.826 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795793971 1291450368 /nfs/dbraw/zinc/45/03/68/1291450368.db2.gz KWQCGMADYMIMPM-GGPKGHCWSA-N 2 2 325.456 2.779 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795793971 1291450375 /nfs/dbraw/zinc/45/03/75/1291450375.db2.gz KWQCGMADYMIMPM-GGPKGHCWSA-N 2 2 325.456 2.779 20 30 EFEDLP C#CC[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CC1 ZINC000957568364 1291779892 /nfs/dbraw/zinc/77/98/92/1291779892.db2.gz IWPFLRRREKSFNV-UHFFFAOYSA-N 2 2 336.439 2.514 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478501 1312906946 /nfs/dbraw/zinc/90/69/46/1312906946.db2.gz PBIIZTWSGNABFU-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478501 1312906950 /nfs/dbraw/zinc/90/69/50/1312906950.db2.gz PBIIZTWSGNABFU-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818944 1292327998 /nfs/dbraw/zinc/32/79/98/1292327998.db2.gz UOCGOGUVOOJIEK-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818944 1292328007 /nfs/dbraw/zinc/32/80/07/1292328007.db2.gz UOCGOGUVOOJIEK-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900124 1292346486 /nfs/dbraw/zinc/34/64/86/1292346486.db2.gz OCMZRYQYACEUPC-IAGOWNOFSA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900124 1292346495 /nfs/dbraw/zinc/34/64/95/1292346495.db2.gz OCMZRYQYACEUPC-IAGOWNOFSA-N 2 2 332.492 2.814 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989535 1292415453 /nfs/dbraw/zinc/41/54/53/1292415453.db2.gz PWLQCLZVVOGHRW-MSOLQXFVSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989535 1292415458 /nfs/dbraw/zinc/41/54/58/1292415458.db2.gz PWLQCLZVVOGHRW-MSOLQXFVSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989537 1292415647 /nfs/dbraw/zinc/41/56/47/1292415647.db2.gz PWLQCLZVVOGHRW-ROUUACIJSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989537 1292415655 /nfs/dbraw/zinc/41/56/55/1292415655.db2.gz PWLQCLZVVOGHRW-ROUUACIJSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010828 1292423506 /nfs/dbraw/zinc/42/35/06/1292423506.db2.gz QSRYIZWKAWNOQJ-QZTJIDSGSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010828 1292423509 /nfs/dbraw/zinc/42/35/09/1292423509.db2.gz QSRYIZWKAWNOQJ-QZTJIDSGSA-N 2 2 346.519 2.949 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001049507552 1312941198 /nfs/dbraw/zinc/94/11/98/1312941198.db2.gz KDCXTLMYQQCKLS-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049507552 1312941200 /nfs/dbraw/zinc/94/12/00/1312941200.db2.gz KDCXTLMYQQCKLS-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049507552 1312941204 /nfs/dbraw/zinc/94/12/04/1312941204.db2.gz KDCXTLMYQQCKLS-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049507552 1312941207 /nfs/dbraw/zinc/94/12/07/1312941207.db2.gz KDCXTLMYQQCKLS-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001016748423 1312956951 /nfs/dbraw/zinc/95/69/51/1312956951.db2.gz JZKZPWYVCAYPJX-GOSISDBHSA-N 2 2 336.439 2.643 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193219898 1293199561 /nfs/dbraw/zinc/19/95/61/1293199561.db2.gz UJMQIEGPSOFGMV-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193219898 1293199568 /nfs/dbraw/zinc/19/95/68/1293199568.db2.gz UJMQIEGPSOFGMV-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463719 1293312169 /nfs/dbraw/zinc/31/21/69/1293312169.db2.gz XLJDDDZQZCFSQI-MRXNPFEDSA-N 2 2 332.492 2.966 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463719 1293312178 /nfs/dbraw/zinc/31/21/78/1293312178.db2.gz XLJDDDZQZCFSQI-MRXNPFEDSA-N 2 2 332.492 2.966 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001016824559 1312999112 /nfs/dbraw/zinc/99/91/12/1312999112.db2.gz WOBPKHPGMCWRDO-NVXWUHKLSA-N 2 2 342.487 2.767 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000883131272 1293473820 /nfs/dbraw/zinc/47/38/20/1293473820.db2.gz TVQOAVPHRWWILE-UHFFFAOYSA-N 2 2 325.250 2.508 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000883131272 1293473822 /nfs/dbraw/zinc/47/38/22/1293473822.db2.gz TVQOAVPHRWWILE-UHFFFAOYSA-N 2 2 325.250 2.508 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814185 1313022304 /nfs/dbraw/zinc/02/23/04/1313022304.db2.gz HQERATNTXVCZPT-IRXDYDNUSA-N 2 2 330.476 2.647 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815881 1313023344 /nfs/dbraw/zinc/02/33/44/1313023344.db2.gz RSDRQFRMKDRGAA-DLBZAZTESA-N 2 2 332.492 2.871 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572007 1313033881 /nfs/dbraw/zinc/03/38/81/1313033881.db2.gz JBAAMLHZYYIMCS-SJORKVTESA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572007 1313033886 /nfs/dbraw/zinc/03/38/86/1313033886.db2.gz JBAAMLHZYYIMCS-SJORKVTESA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001203861629 1313034624 /nfs/dbraw/zinc/03/46/24/1313034624.db2.gz NPOJSLVCNLAUQR-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001203861629 1313034626 /nfs/dbraw/zinc/03/46/26/1313034626.db2.gz NPOJSLVCNLAUQR-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203932642 1313050729 /nfs/dbraw/zinc/05/07/29/1313050729.db2.gz MMDLKYNIACWKRZ-APWZRJJASA-N 2 2 344.503 2.620 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196339699 1294203056 /nfs/dbraw/zinc/20/30/56/1294203056.db2.gz BWFKYWLAFWUBHI-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196339699 1294203062 /nfs/dbraw/zinc/20/30/62/1294203062.db2.gz BWFKYWLAFWUBHI-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204069423 1313076082 /nfs/dbraw/zinc/07/60/82/1313076082.db2.gz OHNUIKRHQLOCIP-UHFFFAOYSA-N 2 2 332.492 2.990 20 30 EFEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234314119 1313101937 /nfs/dbraw/zinc/10/19/37/1313101937.db2.gz RJPWOPWMKFSHTI-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234314119 1313101939 /nfs/dbraw/zinc/10/19/39/1313101939.db2.gz RJPWOPWMKFSHTI-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP Cc1[nH]c(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886672287 1295099293 /nfs/dbraw/zinc/09/92/93/1295099293.db2.gz LUMVZCGQJMXOIZ-UHFFFAOYSA-N 2 2 343.475 2.549 20 30 EFEDLP C=CCC1(O)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000886778884 1295149210 /nfs/dbraw/zinc/14/92/10/1295149210.db2.gz ZDQPZGUAHRTWLE-UHFFFAOYSA-N 2 2 343.515 2.602 20 30 EFEDLP CCOCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858571 1313133306 /nfs/dbraw/zinc/13/33/06/1313133306.db2.gz SACUZEANTXAIRL-HXUWFJFHSA-N 2 2 344.503 2.611 20 30 EFEDLP CCOCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858571 1313133307 /nfs/dbraw/zinc/13/33/07/1313133307.db2.gz SACUZEANTXAIRL-HXUWFJFHSA-N 2 2 344.503 2.611 20 30 EFEDLP CCOCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858571 1313133308 /nfs/dbraw/zinc/13/33/08/1313133308.db2.gz SACUZEANTXAIRL-HXUWFJFHSA-N 2 2 344.503 2.611 20 30 EFEDLP CCOCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277858571 1313133311 /nfs/dbraw/zinc/13/33/11/1313133311.db2.gz SACUZEANTXAIRL-HXUWFJFHSA-N 2 2 344.503 2.611 20 30 EFEDLP CCSCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914135 1313218174 /nfs/dbraw/zinc/21/81/74/1313218174.db2.gz QRLRKAOAXZWJCU-IBGZPJMESA-N 2 2 346.544 2.938 20 30 EFEDLP CCSCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914135 1313218175 /nfs/dbraw/zinc/21/81/75/1313218175.db2.gz QRLRKAOAXZWJCU-IBGZPJMESA-N 2 2 346.544 2.938 20 30 EFEDLP CCSCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914135 1313218179 /nfs/dbraw/zinc/21/81/79/1313218179.db2.gz QRLRKAOAXZWJCU-IBGZPJMESA-N 2 2 346.544 2.938 20 30 EFEDLP CCSCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914135 1313218181 /nfs/dbraw/zinc/21/81/81/1313218181.db2.gz QRLRKAOAXZWJCU-IBGZPJMESA-N 2 2 346.544 2.938 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734102 1313235618 /nfs/dbraw/zinc/23/56/18/1313235618.db2.gz DCEFMWDQFIWROC-ZJPYXAASSA-N 2 2 342.487 2.555 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734102 1313235622 /nfs/dbraw/zinc/23/56/22/1313235622.db2.gz DCEFMWDQFIWROC-ZJPYXAASSA-N 2 2 342.487 2.555 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205291463 1313265636 /nfs/dbraw/zinc/26/56/36/1313265636.db2.gz VIIYLRBMZXLSRH-UHFFFAOYSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960274943 1296686615 /nfs/dbraw/zinc/68/66/15/1296686615.db2.gz HFPRJEYSFDGXFY-KZNAEPCWSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960274943 1296686629 /nfs/dbraw/zinc/68/66/29/1296686629.db2.gz HFPRJEYSFDGXFY-KZNAEPCWSA-N 2 2 347.890 2.595 20 30 EFEDLP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776160845 1296761280 /nfs/dbraw/zinc/76/12/80/1296761280.db2.gz RZALNCOSVZLLHR-INIZCTEOSA-N 2 2 335.455 2.533 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512054 1313302656 /nfs/dbraw/zinc/30/26/56/1313302656.db2.gz CTBYLLBEUFRIQO-UHFFFAOYSA-N 2 2 332.492 2.721 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806160 1313323163 /nfs/dbraw/zinc/32/31/63/1313323163.db2.gz MIRSEHHZQASRDG-IAGOWNOFSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806160 1313323167 /nfs/dbraw/zinc/32/31/67/1313323167.db2.gz MIRSEHHZQASRDG-IAGOWNOFSA-N 2 2 339.911 2.536 20 30 EFEDLP N#CCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949585 1313337855 /nfs/dbraw/zinc/33/78/55/1313337855.db2.gz YDJOCWUYRBOXBB-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949585 1313337859 /nfs/dbraw/zinc/33/78/59/1313337859.db2.gz YDJOCWUYRBOXBB-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949585 1313337863 /nfs/dbraw/zinc/33/78/63/1313337863.db2.gz YDJOCWUYRBOXBB-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949585 1313337869 /nfs/dbraw/zinc/33/78/69/1313337869.db2.gz YDJOCWUYRBOXBB-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049818786 1313338157 /nfs/dbraw/zinc/33/81/57/1313338157.db2.gz ALDLPJQRDHXTJC-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049818786 1313338160 /nfs/dbraw/zinc/33/81/60/1313338160.db2.gz ALDLPJQRDHXTJC-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821398 1313343252 /nfs/dbraw/zinc/34/32/52/1313343252.db2.gz XMPUDURCRWAUFP-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821398 1313343256 /nfs/dbraw/zinc/34/32/56/1313343256.db2.gz XMPUDURCRWAUFP-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235631510 1313362822 /nfs/dbraw/zinc/36/28/22/1313362822.db2.gz ADFNCUCQJYTCLY-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849039 1313384695 /nfs/dbraw/zinc/38/46/95/1313384695.db2.gz MTLOCQKOOJKILQ-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849039 1313384697 /nfs/dbraw/zinc/38/46/97/1313384697.db2.gz MTLOCQKOOJKILQ-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)O1 ZINC001235969964 1313425101 /nfs/dbraw/zinc/42/51/01/1313425101.db2.gz WWUAFLDCVAHFTO-INIZCTEOSA-N 2 2 349.862 2.779 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961163191 1298236040 /nfs/dbraw/zinc/23/60/40/1298236040.db2.gz XZYSPGOQXCLOLP-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961163191 1298236051 /nfs/dbraw/zinc/23/60/51/1298236051.db2.gz XZYSPGOQXCLOLP-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192346 1298281013 /nfs/dbraw/zinc/28/10/13/1298281013.db2.gz XTVLAXYLCXSFSM-CVEARBPZSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192346 1298281025 /nfs/dbraw/zinc/28/10/25/1298281025.db2.gz XTVLAXYLCXSFSM-CVEARBPZSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193893 1298287805 /nfs/dbraw/zinc/28/78/05/1298287805.db2.gz GCROVHRBIIBXBB-MSOLQXFVSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193893 1298287812 /nfs/dbraw/zinc/28/78/12/1298287812.db2.gz GCROVHRBIIBXBB-MSOLQXFVSA-N 2 2 344.503 2.673 20 30 EFEDLP CN(C)c1ccc(C(N)=[NH+]OCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000776417443 1298438062 /nfs/dbraw/zinc/43/80/62/1298438062.db2.gz XRXUFQANIATNIC-UHFFFAOYSA-N 2 2 344.434 2.661 20 30 EFEDLP CN(C)c1ccc(C(N)=[NH+]OCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000776417443 1298438075 /nfs/dbraw/zinc/43/80/75/1298438075.db2.gz XRXUFQANIATNIC-UHFFFAOYSA-N 2 2 344.434 2.661 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872910 1313531745 /nfs/dbraw/zinc/53/17/45/1313531745.db2.gz YHBAPIZGCOESJO-HNNXBMFYSA-N 2 2 332.492 2.870 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425686 1298733063 /nfs/dbraw/zinc/73/30/63/1298733063.db2.gz ZLOMSTMBMBDNGB-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425686 1298733071 /nfs/dbraw/zinc/73/30/71/1298733071.db2.gz ZLOMSTMBMBDNGB-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961425686 1298733080 /nfs/dbraw/zinc/73/30/80/1298733080.db2.gz ZLOMSTMBMBDNGB-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961425686 1298733092 /nfs/dbraw/zinc/73/30/92/1298733092.db2.gz ZLOMSTMBMBDNGB-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C[NH+]1CCC2(C[NH+](Cc3ccc(C#N)c(Br)c3)C2)CC1 ZINC001236865429 1313544035 /nfs/dbraw/zinc/54/40/35/1313544035.db2.gz DEOZRNZZRBETKF-UHFFFAOYSA-N 2 2 334.261 2.848 20 30 EFEDLP C=CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237100283 1313585846 /nfs/dbraw/zinc/58/58/46/1313585846.db2.gz TWNSCJGWJWWUNL-UHFFFAOYSA-N 2 2 338.293 2.819 20 30 EFEDLP C=CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237100283 1313585849 /nfs/dbraw/zinc/58/58/49/1313585849.db2.gz TWNSCJGWJWWUNL-UHFFFAOYSA-N 2 2 338.293 2.819 20 30 EFEDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc(C#N)n(C)c4)C[C@H]3C2)cc1 ZINC001207104129 1313613181 /nfs/dbraw/zinc/61/31/81/1313613181.db2.gz LBOYVPRTXJTOSW-WOJBJXKFSA-N 2 2 334.467 2.769 20 30 EFEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000852100477 1299546952 /nfs/dbraw/zinc/54/69/52/1299546952.db2.gz HDYJHFGJFHKVKQ-SFHVURJKSA-N 2 2 348.516 2.705 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110678814 1300459486 /nfs/dbraw/zinc/45/94/86/1300459486.db2.gz IZXWFVGDQOXGFP-YRXWBPOGSA-N 2 2 345.531 2.632 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110678814 1300459489 /nfs/dbraw/zinc/45/94/89/1300459489.db2.gz IZXWFVGDQOXGFP-YRXWBPOGSA-N 2 2 345.531 2.632 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110678814 1300459492 /nfs/dbraw/zinc/45/94/92/1300459492.db2.gz IZXWFVGDQOXGFP-YRXWBPOGSA-N 2 2 345.531 2.632 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110678814 1300459494 /nfs/dbraw/zinc/45/94/94/1300459494.db2.gz IZXWFVGDQOXGFP-YRXWBPOGSA-N 2 2 345.531 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299209 1300545951 /nfs/dbraw/zinc/54/59/51/1300545951.db2.gz RWUWUOCCQBTPDS-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299209 1300545957 /nfs/dbraw/zinc/54/59/57/1300545957.db2.gz RWUWUOCCQBTPDS-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963309727 1300567325 /nfs/dbraw/zinc/56/73/25/1300567325.db2.gz AQEPFEPIFDKCFE-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963309727 1300567335 /nfs/dbraw/zinc/56/73/35/1300567335.db2.gz AQEPFEPIFDKCFE-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963309727 1300567345 /nfs/dbraw/zinc/56/73/45/1300567345.db2.gz AQEPFEPIFDKCFE-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963309727 1300567349 /nfs/dbraw/zinc/56/73/49/1300567349.db2.gz AQEPFEPIFDKCFE-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315727 1300581863 /nfs/dbraw/zinc/58/18/63/1300581863.db2.gz XFOPXQAHGOWMRT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315727 1300581870 /nfs/dbraw/zinc/58/18/70/1300581870.db2.gz XFOPXQAHGOWMRT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315727 1300581875 /nfs/dbraw/zinc/58/18/75/1300581875.db2.gz XFOPXQAHGOWMRT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315727 1300581881 /nfs/dbraw/zinc/58/18/81/1300581881.db2.gz XFOPXQAHGOWMRT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336412 1300629963 /nfs/dbraw/zinc/62/99/63/1300629963.db2.gz FAWGYQFQOMRIEQ-OALUTQOASA-N 2 2 339.483 2.957 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336412 1300629967 /nfs/dbraw/zinc/62/99/67/1300629967.db2.gz FAWGYQFQOMRIEQ-OALUTQOASA-N 2 2 339.483 2.957 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337313 1300631737 /nfs/dbraw/zinc/63/17/37/1300631737.db2.gz NQGLQJSXSAWPMU-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337313 1300631748 /nfs/dbraw/zinc/63/17/48/1300631748.db2.gz NQGLQJSXSAWPMU-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339496 1300638393 /nfs/dbraw/zinc/63/83/93/1300638393.db2.gz IDVZIFUDQGKVEM-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339496 1300638397 /nfs/dbraw/zinc/63/83/97/1300638397.db2.gz IDVZIFUDQGKVEM-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401221 1300770531 /nfs/dbraw/zinc/77/05/31/1300770531.db2.gz FQVDVZDITVPKIU-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401221 1300770543 /nfs/dbraw/zinc/77/05/43/1300770543.db2.gz FQVDVZDITVPKIU-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963402182 1300773052 /nfs/dbraw/zinc/77/30/52/1300773052.db2.gz HYRLPJFOPXQLQB-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963402182 1300773060 /nfs/dbraw/zinc/77/30/60/1300773060.db2.gz HYRLPJFOPXQLQB-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963409529 1300787441 /nfs/dbraw/zinc/78/74/41/1300787441.db2.gz XUPDDVVQNDXQJG-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963409529 1300787448 /nfs/dbraw/zinc/78/74/48/1300787448.db2.gz XUPDDVVQNDXQJG-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000963484975 1300937988 /nfs/dbraw/zinc/93/79/88/1300937988.db2.gz VATZFYPTMVLAFC-NEXFUWMNSA-N 2 2 336.867 2.625 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000963484975 1300937997 /nfs/dbraw/zinc/93/79/97/1300937997.db2.gz VATZFYPTMVLAFC-NEXFUWMNSA-N 2 2 336.867 2.625 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000963550898 1301037452 /nfs/dbraw/zinc/03/74/52/1301037452.db2.gz JOUPKHGTFFIYRA-UHFFFAOYSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000963800036 1301324300 /nfs/dbraw/zinc/32/43/00/1301324300.db2.gz CKOPJJFGNRHURC-UHFFFAOYSA-N 2 2 338.455 2.849 20 30 EFEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238194268 1313782923 /nfs/dbraw/zinc/78/29/23/1313782923.db2.gz LLWVDBAPRDFIMQ-UHFFFAOYSA-N 2 2 337.851 2.528 20 30 EFEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238194268 1313782926 /nfs/dbraw/zinc/78/29/26/1313782926.db2.gz LLWVDBAPRDFIMQ-UHFFFAOYSA-N 2 2 337.851 2.528 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001050590647 1313796563 /nfs/dbraw/zinc/79/65/63/1313796563.db2.gz ZYWAJRYXHFZTBB-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCOCc1nn(C)c2c1C[N@@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184353 1313863738 /nfs/dbraw/zinc/86/37/38/1313863738.db2.gz BGYIPJGLDZUGNM-UHFFFAOYSA-N 2 2 346.519 2.603 20 30 EFEDLP C=CCOCc1nn(C)c2c1C[N@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208184353 1313863740 /nfs/dbraw/zinc/86/37/40/1313863740.db2.gz BGYIPJGLDZUGNM-UHFFFAOYSA-N 2 2 346.519 2.603 20 30 EFEDLP C=CC[NH2+]C1CC2(CC(NC(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000965699436 1303292144 /nfs/dbraw/zinc/29/21/44/1303292144.db2.gz ZXJQPEAMYSJTEZ-UHFFFAOYSA-N 2 2 336.439 2.689 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407698 1313922349 /nfs/dbraw/zinc/92/23/49/1313922349.db2.gz HMWUZKVFIWNCJF-NVXWUHKLSA-N 2 2 331.460 2.568 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411493 1313923393 /nfs/dbraw/zinc/92/33/93/1313923393.db2.gz VSQMNDQBDABOFU-WBVHZDCISA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099036 1303637239 /nfs/dbraw/zinc/63/72/39/1303637239.db2.gz BZAOMJJXTKGWEX-YOEHRIQHSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099036 1303637245 /nfs/dbraw/zinc/63/72/45/1303637245.db2.gz BZAOMJJXTKGWEX-YOEHRIQHSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450758 1313931919 /nfs/dbraw/zinc/93/19/19/1313931919.db2.gz KLZVOQVRDKNFNT-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450934 1313931925 /nfs/dbraw/zinc/93/19/25/1313931925.db2.gz OBILEGIYLRLXDB-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001037856001 1303726681 /nfs/dbraw/zinc/72/66/81/1303726681.db2.gz QKQDODCAFBTORZ-RDJZCZTQSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208552112 1313958884 /nfs/dbraw/zinc/95/88/84/1313958884.db2.gz UEBMQJGERHRKOD-JKSUJKDBSA-N 2 2 326.444 2.883 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208552109 1313959288 /nfs/dbraw/zinc/95/92/88/1313959288.db2.gz UEBMQJGERHRKOD-CVEARBPZSA-N 2 2 326.444 2.883 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090396 1304655354 /nfs/dbraw/zinc/65/53/54/1304655354.db2.gz TXCXYRPHDAETRV-SJCJKPOMSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090396 1304655360 /nfs/dbraw/zinc/65/53/60/1304655360.db2.gz TXCXYRPHDAETRV-SJCJKPOMSA-N 2 2 346.862 2.835 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498911 1305081992 /nfs/dbraw/zinc/08/19/92/1305081992.db2.gz PPURGYYHHFOLQV-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498911 1305081998 /nfs/dbraw/zinc/08/19/98/1305081998.db2.gz PPURGYYHHFOLQV-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC ZINC001037967488 1305438846 /nfs/dbraw/zinc/43/88/46/1305438846.db2.gz PXEWTWIPCYNJBY-ZIAGYGMSSA-N 2 2 338.883 2.657 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608104 1314070308 /nfs/dbraw/zinc/07/03/08/1314070308.db2.gz KSBFFLDFKPPBRV-FQEVSTJZSA-N 2 2 337.471 2.713 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608104 1314070309 /nfs/dbraw/zinc/07/03/09/1314070309.db2.gz KSBFFLDFKPPBRV-FQEVSTJZSA-N 2 2 337.471 2.713 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608104 1314070310 /nfs/dbraw/zinc/07/03/10/1314070310.db2.gz KSBFFLDFKPPBRV-FQEVSTJZSA-N 2 2 337.471 2.713 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608104 1314070311 /nfs/dbraw/zinc/07/03/11/1314070311.db2.gz KSBFFLDFKPPBRV-FQEVSTJZSA-N 2 2 337.471 2.713 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497159 1306400151 /nfs/dbraw/zinc/40/01/51/1306400151.db2.gz HNWXORHMJKCHIU-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497159 1306400156 /nfs/dbraw/zinc/40/01/56/1306400156.db2.gz HNWXORHMJKCHIU-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496950 1306400701 /nfs/dbraw/zinc/40/07/01/1306400701.db2.gz FURZNEIDSUVVSC-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496950 1306400702 /nfs/dbraw/zinc/40/07/02/1306400702.db2.gz FURZNEIDSUVVSC-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001044601809 1306649742 /nfs/dbraw/zinc/64/97/42/1306649742.db2.gz FBLKSSVNADLYGE-PBHICJAKSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001044678513 1306710536 /nfs/dbraw/zinc/71/05/36/1306710536.db2.gz WJKXFXMDOSHAAI-KGLIPLIRSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901853 1306774435 /nfs/dbraw/zinc/77/44/35/1306774435.db2.gz JMLMHQBQODROMF-BRWVUGGUSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968901853 1306774439 /nfs/dbraw/zinc/77/44/39/1306774439.db2.gz JMLMHQBQODROMF-BRWVUGGUSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901853 1306774442 /nfs/dbraw/zinc/77/44/42/1306774442.db2.gz JMLMHQBQODROMF-BRWVUGGUSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968901853 1306774447 /nfs/dbraw/zinc/77/44/47/1306774447.db2.gz JMLMHQBQODROMF-BRWVUGGUSA-N 2 2 330.476 2.840 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925884 1306804523 /nfs/dbraw/zinc/80/45/23/1306804523.db2.gz OVRULXUMUJDZRM-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925884 1306804527 /nfs/dbraw/zinc/80/45/27/1306804527.db2.gz OVRULXUMUJDZRM-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968926252 1306805683 /nfs/dbraw/zinc/80/56/83/1306805683.db2.gz YEUANHYZNJQJNA-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968926252 1306805684 /nfs/dbraw/zinc/80/56/84/1306805684.db2.gz YEUANHYZNJQJNA-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001044873620 1306883611 /nfs/dbraw/zinc/88/36/11/1306883611.db2.gz YQUFTRRVBYDJLS-WBVHZDCISA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001044873620 1306883614 /nfs/dbraw/zinc/88/36/14/1306883614.db2.gz YQUFTRRVBYDJLS-WBVHZDCISA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500158 1307472876 /nfs/dbraw/zinc/47/28/76/1307472876.db2.gz RAIHOWZIXRMFRM-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500158 1307472878 /nfs/dbraw/zinc/47/28/78/1307472878.db2.gz RAIHOWZIXRMFRM-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500158 1307472883 /nfs/dbraw/zinc/47/28/83/1307472883.db2.gz RAIHOWZIXRMFRM-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500158 1307472886 /nfs/dbraw/zinc/47/28/86/1307472886.db2.gz RAIHOWZIXRMFRM-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969589 1308033600 /nfs/dbraw/zinc/03/36/00/1308033600.db2.gz UDQQXPIPVKZILB-ICSRJNTNSA-N 2 2 342.487 2.562 20 30 EFEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969589 1308033604 /nfs/dbraw/zinc/03/36/04/1308033604.db2.gz UDQQXPIPVKZILB-ICSRJNTNSA-N 2 2 342.487 2.562 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969591 1308033961 /nfs/dbraw/zinc/03/39/61/1308033961.db2.gz UDQQXPIPVKZILB-UYAOXDASSA-N 2 2 342.487 2.562 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969591 1308033964 /nfs/dbraw/zinc/03/39/64/1308033964.db2.gz UDQQXPIPVKZILB-UYAOXDASSA-N 2 2 342.487 2.562 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973036 1308042005 /nfs/dbraw/zinc/04/20/05/1308042005.db2.gz KVZBGHBNBAOXSL-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973036 1308042008 /nfs/dbraw/zinc/04/20/08/1308042008.db2.gz KVZBGHBNBAOXSL-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973036 1308042009 /nfs/dbraw/zinc/04/20/09/1308042009.db2.gz KVZBGHBNBAOXSL-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973036 1308042012 /nfs/dbraw/zinc/04/20/12/1308042012.db2.gz KVZBGHBNBAOXSL-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979452 1308062509 /nfs/dbraw/zinc/06/25/09/1308062509.db2.gz DOXRGTLQSAITIU-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979452 1308062514 /nfs/dbraw/zinc/06/25/14/1308062514.db2.gz DOXRGTLQSAITIU-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980464 1308067714 /nfs/dbraw/zinc/06/77/14/1308067714.db2.gz ZJXALBFBILWQJR-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980464 1308067716 /nfs/dbraw/zinc/06/77/16/1308067716.db2.gz ZJXALBFBILWQJR-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982154 1308074432 /nfs/dbraw/zinc/07/44/32/1308074432.db2.gz PKJOKBXBFZDVPC-LJQANCHMSA-N 2 2 330.476 2.541 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982154 1308074437 /nfs/dbraw/zinc/07/44/37/1308074437.db2.gz PKJOKBXBFZDVPC-LJQANCHMSA-N 2 2 330.476 2.541 20 30 EFEDLP N#Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1N1CC[NH2+]CC1 ZINC001243657621 1314308873 /nfs/dbraw/zinc/30/88/73/1314308873.db2.gz NWCUPXYQDSKUAB-UHFFFAOYSA-N 2 2 343.434 2.880 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052795545 1314377870 /nfs/dbraw/zinc/37/78/70/1314377870.db2.gz LVEJNMKRWVTDJJ-QGZVFWFLSA-N 2 2 340.471 2.732 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052795545 1314377874 /nfs/dbraw/zinc/37/78/74/1314377874.db2.gz LVEJNMKRWVTDJJ-QGZVFWFLSA-N 2 2 340.471 2.732 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052795544 1314378035 /nfs/dbraw/zinc/37/80/35/1314378035.db2.gz LVEJNMKRWVTDJJ-KRWDZBQOSA-N 2 2 340.471 2.732 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052795544 1314378039 /nfs/dbraw/zinc/37/80/39/1314378039.db2.gz LVEJNMKRWVTDJJ-KRWDZBQOSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159375 1311071420 /nfs/dbraw/zinc/07/14/20/1311071420.db2.gz RFLCBOPQAPRPDT-KRWDZBQOSA-N 2 2 332.492 2.846 20 30 EFEDLP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159375 1311071423 /nfs/dbraw/zinc/07/14/23/1311071423.db2.gz RFLCBOPQAPRPDT-KRWDZBQOSA-N 2 2 332.492 2.846 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093438 1311083547 /nfs/dbraw/zinc/08/35/47/1311083547.db2.gz ALVRRRZXCDGOFO-RCCFBDPRSA-N 2 2 330.476 2.551 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093438 1311083549 /nfs/dbraw/zinc/08/35/49/1311083549.db2.gz ALVRRRZXCDGOFO-RCCFBDPRSA-N 2 2 330.476 2.551 20 30 EFEDLP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001101590541 1311252085 /nfs/dbraw/zinc/25/20/85/1311252085.db2.gz XXSPVXREQRLTMR-UHFFFAOYSA-N 2 2 344.503 2.565 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102079922 1311279326 /nfs/dbraw/zinc/27/93/26/1311279326.db2.gz JYBSFXYYZXVVLL-BPQIPLTHSA-N 2 2 346.519 2.965 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102079922 1311279329 /nfs/dbraw/zinc/27/93/29/1311279329.db2.gz JYBSFXYYZXVVLL-BPQIPLTHSA-N 2 2 346.519 2.965 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001223646045 1311286539 /nfs/dbraw/zinc/28/65/39/1311286539.db2.gz NREHEWHEPFVRPY-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001223668865 1311289520 /nfs/dbraw/zinc/28/95/20/1311289520.db2.gz NEGJNZABJWTLTA-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223903819 1311318919 /nfs/dbraw/zinc/31/89/19/1311318919.db2.gz IKJLOSZSQVXWIB-INIZCTEOSA-N 2 2 332.492 2.536 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306130 1311373316 /nfs/dbraw/zinc/37/33/16/1311373316.db2.gz CJLBRHSQCSIWLO-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306130 1311373319 /nfs/dbraw/zinc/37/33/19/1311373319.db2.gz CJLBRHSQCSIWLO-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001224846846 1311441417 /nfs/dbraw/zinc/44/14/17/1311441417.db2.gz UKQRLFNBUDHUKC-UHFFFAOYSA-N 2 2 340.471 2.590 20 30 EFEDLP C=CCCCCC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225285688 1311501322 /nfs/dbraw/zinc/50/13/22/1311501322.db2.gz OVFVUSMGCUSTSA-UHFFFAOYSA-N 2 2 332.492 2.835 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225590579 1311548627 /nfs/dbraw/zinc/54/86/27/1311548627.db2.gz AFZODULSWZMSCW-GOSISDBHSA-N 2 2 349.906 2.870 20 30 EFEDLP C[NH+]1CCN(c2cccc(N[C@@H]3CCc4c3cccc4C#N)[nH+]2)CC1 ZINC001159916051 1311608070 /nfs/dbraw/zinc/60/80/70/1311608070.db2.gz HOZIJMDWIBJWHX-GOSISDBHSA-N 2 2 333.439 2.804 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001159921257 1311608478 /nfs/dbraw/zinc/60/84/78/1311608478.db2.gz LUYOOYUIWNAVEL-KRWDZBQOSA-N 2 2 338.411 2.745 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)[nH+]c(C(C)(C)C)n1 ZINC001159923921 1311610041 /nfs/dbraw/zinc/61/00/41/1311610041.db2.gz COWFAKIIQSJWFY-AWEZNQCLSA-N 2 2 334.464 2.721 20 30 EFEDLP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160352501 1311695238 /nfs/dbraw/zinc/69/52/38/1311695238.db2.gz JSHONJDCPKVRLA-INIZCTEOSA-N 2 2 348.878 2.651 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160352501 1311695241 /nfs/dbraw/zinc/69/52/41/1311695241.db2.gz JSHONJDCPKVRLA-INIZCTEOSA-N 2 2 348.878 2.651 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523609 1311727858 /nfs/dbraw/zinc/72/78/58/1311727858.db2.gz MEXSUBQWBLDMCU-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523609 1311727861 /nfs/dbraw/zinc/72/78/61/1311727861.db2.gz MEXSUBQWBLDMCU-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160545260 1311733646 /nfs/dbraw/zinc/73/36/46/1311733646.db2.gz OSBADQLQJLKLAB-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160545260 1311733649 /nfs/dbraw/zinc/73/36/49/1311733649.db2.gz OSBADQLQJLKLAB-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226972508 1311748781 /nfs/dbraw/zinc/74/87/81/1311748781.db2.gz DYOCQKJZCVMCJZ-KZNAEPCWSA-N 2 2 330.476 2.511 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434588 1311888604 /nfs/dbraw/zinc/88/86/04/1311888604.db2.gz UTVSBPFWFKKZLV-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434588 1311888606 /nfs/dbraw/zinc/88/86/06/1311888606.db2.gz UTVSBPFWFKKZLV-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434588 1311888608 /nfs/dbraw/zinc/88/86/08/1311888608.db2.gz UTVSBPFWFKKZLV-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434588 1311888610 /nfs/dbraw/zinc/88/86/10/1311888610.db2.gz UTVSBPFWFKKZLV-INIZCTEOSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001228054001 1311895477 /nfs/dbraw/zinc/89/54/77/1311895477.db2.gz MUINFTPCKGOWEV-QGZVFWFLSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562710 1311907963 /nfs/dbraw/zinc/90/79/63/1311907963.db2.gz REEWZIDDKVAUDF-YVSFHVDLSA-N 2 2 342.487 2.765 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562710 1311907965 /nfs/dbraw/zinc/90/79/65/1311907965.db2.gz REEWZIDDKVAUDF-YVSFHVDLSA-N 2 2 342.487 2.765 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785325 1311972606 /nfs/dbraw/zinc/97/26/06/1311972606.db2.gz MJCIPFSKZSJMGX-OAHLLOKOSA-N 2 2 330.476 2.754 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785325 1311972609 /nfs/dbraw/zinc/97/26/09/1311972609.db2.gz MJCIPFSKZSJMGX-OAHLLOKOSA-N 2 2 330.476 2.754 20 30 EFEDLP C=CCCC[NH+]1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001229601260 1312119095 /nfs/dbraw/zinc/11/90/95/1312119095.db2.gz ISTNDPUBSWIDPZ-UHFFFAOYSA-N 2 2 340.471 2.732 20 30 EFEDLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC001162910523 1312202166 /nfs/dbraw/zinc/20/21/66/1312202166.db2.gz PDLNMZKIDGILSE-UHFFFAOYSA-N 2 2 336.439 2.788 20 30 EFEDLP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001162964019 1312213232 /nfs/dbraw/zinc/21/32/32/1312213232.db2.gz QNQZAOZWTJRGAE-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230381648 1312232992 /nfs/dbraw/zinc/23/29/92/1312232992.db2.gz CDIRTARVLSGRCE-QFBILLFUSA-N 2 2 344.503 2.620 20 30 EFEDLP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)C(C)C ZINC001230611494 1312283572 /nfs/dbraw/zinc/28/35/72/1312283572.db2.gz SKGDKAVLIISKGC-RTBURBONSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)C(C)C ZINC001230611494 1312283576 /nfs/dbraw/zinc/28/35/76/1312283576.db2.gz SKGDKAVLIISKGC-RTBURBONSA-N 2 2 348.535 2.579 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473838 1312320680 /nfs/dbraw/zinc/32/06/80/1312320680.db2.gz XBZIDFMOZXLQJJ-MRXNPFEDSA-N 2 2 326.444 2.937 20 30 EFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1Cl ZINC001277543852 1312535433 /nfs/dbraw/zinc/53/54/33/1312535433.db2.gz YPSMQHITOBKCIK-AYHJJNSGSA-N 2 2 346.906 2.858 20 30 EFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC001277543852 1312535436 /nfs/dbraw/zinc/53/54/36/1312535436.db2.gz YPSMQHITOBKCIK-AYHJJNSGSA-N 2 2 346.906 2.858 20 30 EFEDLP Cc1[nH+]c2c(n1-c1nc3c(cc1C#N)CCCC3(C)C)CC[NH2+]CC2 ZINC001165357312 1312615841 /nfs/dbraw/zinc/61/58/41/1312615841.db2.gz YHDQUDWWZNLTRF-UHFFFAOYSA-N 2 2 335.455 2.750 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636642 1312656844 /nfs/dbraw/zinc/65/68/44/1312656844.db2.gz DSFTZEOEAOIPAE-KRWDZBQOSA-N 2 2 332.492 2.923 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001245992933 1314561162 /nfs/dbraw/zinc/56/11/62/1314561162.db2.gz FPZOBQGLZOCJBW-QYZOEREBSA-N 2 2 328.541 2.828 20 30 EFEDLP C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246017855 1314566729 /nfs/dbraw/zinc/56/67/29/1314566729.db2.gz DAWOVVGOSFMZGI-MOPGFXCFSA-N 2 2 348.487 2.950 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246036282 1314570515 /nfs/dbraw/zinc/57/05/15/1314570515.db2.gz SIXPMNAKDHZWOK-RBUKOAKNSA-N 2 2 328.541 2.924 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246036282 1314570517 /nfs/dbraw/zinc/57/05/17/1314570517.db2.gz SIXPMNAKDHZWOK-RBUKOAKNSA-N 2 2 328.541 2.924 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246066057 1314578199 /nfs/dbraw/zinc/57/81/99/1314578199.db2.gz QRZJCUVBYLQAHF-RTBURBONSA-N 2 2 326.525 2.942 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246066057 1314578204 /nfs/dbraw/zinc/57/82/04/1314578204.db2.gz QRZJCUVBYLQAHF-RTBURBONSA-N 2 2 326.525 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022758 1314591706 /nfs/dbraw/zinc/59/17/06/1314591706.db2.gz FWTPLUPGDUFTRW-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022758 1314591711 /nfs/dbraw/zinc/59/17/11/1314591711.db2.gz FWTPLUPGDUFTRW-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044809 1314627824 /nfs/dbraw/zinc/62/78/24/1314627824.db2.gz SEPTWXBXEUNBGX-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044809 1314627827 /nfs/dbraw/zinc/62/78/27/1314627827.db2.gz SEPTWXBXEUNBGX-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044808 1314628316 /nfs/dbraw/zinc/62/83/16/1314628316.db2.gz SEPTWXBXEUNBGX-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044808 1314628321 /nfs/dbraw/zinc/62/83/21/1314628321.db2.gz SEPTWXBXEUNBGX-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086897 1314690940 /nfs/dbraw/zinc/69/09/40/1314690940.db2.gz GICFAKSQLURYCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086897 1314690944 /nfs/dbraw/zinc/69/09/44/1314690944.db2.gz GICFAKSQLURYCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086897 1314690948 /nfs/dbraw/zinc/69/09/48/1314690948.db2.gz GICFAKSQLURYCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086897 1314690952 /nfs/dbraw/zinc/69/09/52/1314690952.db2.gz GICFAKSQLURYCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP CC(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246862773 1314698456 /nfs/dbraw/zinc/69/84/56/1314698456.db2.gz DEQZRJJNORDEKF-WMZOPIPTSA-N 2 2 330.451 2.596 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104236 1314724860 /nfs/dbraw/zinc/72/48/60/1314724860.db2.gz DBALICJDBKRDND-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104236 1314724865 /nfs/dbraw/zinc/72/48/65/1314724865.db2.gz DBALICJDBKRDND-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107132 1314730745 /nfs/dbraw/zinc/73/07/45/1314730745.db2.gz ZSMZLGGPVBUBDG-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107132 1314730749 /nfs/dbraw/zinc/73/07/49/1314730749.db2.gz ZSMZLGGPVBUBDG-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112232 1314734197 /nfs/dbraw/zinc/73/41/97/1314734197.db2.gz BOEUQZVHMRXUGK-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112232 1314734199 /nfs/dbraw/zinc/73/41/99/1314734199.db2.gz BOEUQZVHMRXUGK-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112231 1314734235 /nfs/dbraw/zinc/73/42/35/1314734235.db2.gz BOEUQZVHMRXUGK-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112231 1314734238 /nfs/dbraw/zinc/73/42/38/1314734238.db2.gz BOEUQZVHMRXUGK-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112623 1314734796 /nfs/dbraw/zinc/73/47/96/1314734796.db2.gz RRLNCFQBLSGRMF-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112623 1314734798 /nfs/dbraw/zinc/73/47/98/1314734798.db2.gz RRLNCFQBLSGRMF-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215254956 1314805615 /nfs/dbraw/zinc/80/56/15/1314805615.db2.gz QQBWIFZSXHXIQB-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001247622632 1314808985 /nfs/dbraw/zinc/80/89/85/1314808985.db2.gz PEFDCIAYVFUOEG-MRXNPFEDSA-N 2 2 328.416 2.535 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001216182073 1314923409 /nfs/dbraw/zinc/92/34/09/1314923409.db2.gz PBPYLCZJGDOVOJ-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001054046266 1315217703 /nfs/dbraw/zinc/21/77/03/1315217703.db2.gz INUOLSFCHUHBSI-FQEVSTJZSA-N 2 2 346.434 2.677 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001054046266 1315217708 /nfs/dbraw/zinc/21/77/08/1315217708.db2.gz INUOLSFCHUHBSI-FQEVSTJZSA-N 2 2 346.434 2.677 20 30 EFEDLP C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219482465 1315317682 /nfs/dbraw/zinc/31/76/82/1315317682.db2.gz CQJCLVLHYJKECG-UHFFFAOYSA-N 2 2 349.938 2.588 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123731 1315332070 /nfs/dbraw/zinc/33/20/70/1315332070.db2.gz BRBQWNXPZYVEAN-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123731 1315332072 /nfs/dbraw/zinc/33/20/72/1315332072.db2.gz BRBQWNXPZYVEAN-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001054133293 1315343070 /nfs/dbraw/zinc/34/30/70/1315343070.db2.gz ZZHOWYJOETVQES-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001054133293 1315343073 /nfs/dbraw/zinc/34/30/73/1315343073.db2.gz ZZHOWYJOETVQES-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151894 1315376134 /nfs/dbraw/zinc/37/61/34/1315376134.db2.gz UVYHWHWVDBWQKL-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151894 1315376137 /nfs/dbraw/zinc/37/61/37/1315376137.db2.gz UVYHWHWVDBWQKL-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153859 1315379214 /nfs/dbraw/zinc/37/92/14/1315379214.db2.gz LNNILVMCOZUQBK-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054153859 1315379219 /nfs/dbraw/zinc/37/92/19/1315379219.db2.gz LNNILVMCOZUQBK-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054174216 1315410612 /nfs/dbraw/zinc/41/06/12/1315410612.db2.gz ZVTFNKKYECKQIO-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 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C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039295988 1315706275 /nfs/dbraw/zinc/70/62/75/1315706275.db2.gz JGBDWIJFWBVLDV-CTXDPNEZSA-N 2 2 348.450 2.621 20 30 EFEDLP N#Cc1ccc(O[C@H]2CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868562 1315753001 /nfs/dbraw/zinc/75/30/01/1315753001.db2.gz PWSPFHPGTQRDBJ-QUCCMNQESA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1ccc(O[C@H]2CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868562 1315753002 /nfs/dbraw/zinc/75/30/02/1315753002.db2.gz PWSPFHPGTQRDBJ-QUCCMNQESA-N 2 2 325.456 2.886 20 30 EFEDLP CC[C@@H](CC#N)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168661 1315785334 /nfs/dbraw/zinc/78/53/34/1315785334.db2.gz VFEZUQZTDVUNKQ-RBUKOAKNSA-N 2 2 342.487 2.829 20 30 EFEDLP CC[C@@H](CC#N)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168661 1315785336 /nfs/dbraw/zinc/78/53/36/1315785336.db2.gz VFEZUQZTDVUNKQ-RBUKOAKNSA-N 2 2 342.487 2.829 20 30 EFEDLP 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XZVJICQQMCVWBA-IBGZPJMESA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040511421 1316301097 /nfs/dbraw/zinc/30/10/97/1316301097.db2.gz XZVJICQQMCVWBA-IBGZPJMESA-N 2 2 330.476 2.541 20 30 EFEDLP CC#CC[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001040747939 1316366034 /nfs/dbraw/zinc/36/60/34/1316366034.db2.gz XNKSBFAQRQVNSU-UHFFFAOYSA-N 2 2 336.439 2.514 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040867955 1316392584 /nfs/dbraw/zinc/39/25/84/1316392584.db2.gz LZHZZWZYSDXNRP-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042115546 1316888969 /nfs/dbraw/zinc/88/89/69/1316888969.db2.gz YEAAFJBTLSTQQW-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042115546 1316888972 /nfs/dbraw/zinc/88/89/72/1316888972.db2.gz YEAAFJBTLSTQQW-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116038 1316889698 /nfs/dbraw/zinc/88/96/98/1316889698.db2.gz FZCSHFZVULQEEZ-SUMWQHHRSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116038 1316889700 /nfs/dbraw/zinc/88/97/00/1316889700.db2.gz FZCSHFZVULQEEZ-SUMWQHHRSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042185275 1316938960 /nfs/dbraw/zinc/93/89/60/1316938960.db2.gz AGDIFWDQMJZRKV-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042185275 1316938964 /nfs/dbraw/zinc/93/89/64/1316938964.db2.gz AGDIFWDQMJZRKV-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001279146020 1317198286 /nfs/dbraw/zinc/19/82/86/1317198286.db2.gz YCZGWLCZDLBNQQ-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)cc1 ZINC001279146020 1317198290 /nfs/dbraw/zinc/19/82/90/1317198290.db2.gz YCZGWLCZDLBNQQ-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001279146020 1317198294 /nfs/dbraw/zinc/19/82/94/1317198294.db2.gz YCZGWLCZDLBNQQ-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)cc1 ZINC001279146020 1317198297 /nfs/dbraw/zinc/19/82/97/1317198297.db2.gz YCZGWLCZDLBNQQ-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1ccccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001279233348 1317215312 /nfs/dbraw/zinc/21/53/12/1317215312.db2.gz PLKBJPJNJKIZBI-RTWAWAEBSA-N 2 2 349.482 2.980 20 30 EFEDLP C[NH+]1CCN(c2ccc(C[N@H+](CCC#N)CC3CC3)cc2F)CC1 ZINC001319702718 1328956757 /nfs/dbraw/zinc/95/67/57/1328956757.db2.gz SCCRZKNQAXIPFT-UHFFFAOYSA-N 2 2 330.451 2.703 20 30 EFEDLP C[NH+]1CCN(c2ccc(C[N@@H+](CCC#N)CC3CC3)cc2F)CC1 ZINC001319702718 1328956759 /nfs/dbraw/zinc/95/67/59/1328956759.db2.gz SCCRZKNQAXIPFT-UHFFFAOYSA-N 2 2 330.451 2.703 20 30 EFEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC001339095934 1331789774 /nfs/dbraw/zinc/78/97/74/1331789774.db2.gz WMYOBSIBKYPDPT-UHFFFAOYSA-N 2 2 347.378 2.659 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001340094415 1332139173 /nfs/dbraw/zinc/13/91/73/1332139173.db2.gz RHCPKCTYMWSGAF-SFHVURJKSA-N 2 2 344.503 2.830 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001340172972 1332148799 /nfs/dbraw/zinc/14/87/99/1332148799.db2.gz MPBYJOJXJJZINT-NUJGCVRESA-N 2 2 345.487 2.918 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001340390050 1332186440 /nfs/dbraw/zinc/18/64/40/1332186440.db2.gz LZZLGEGXTUMIHY-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340390050 1332186442 /nfs/dbraw/zinc/18/64/42/1332186442.db2.gz LZZLGEGXTUMIHY-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001340390050 1332186443 /nfs/dbraw/zinc/18/64/43/1332186443.db2.gz LZZLGEGXTUMIHY-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001340390050 1332186445 /nfs/dbraw/zinc/18/64/45/1332186445.db2.gz LZZLGEGXTUMIHY-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001343456596 1332348627 /nfs/dbraw/zinc/34/86/27/1332348627.db2.gz IMTCEXNDESVDMK-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001343456596 1332348629 /nfs/dbraw/zinc/34/86/29/1332348629.db2.gz IMTCEXNDESVDMK-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001343456596 1332348631 /nfs/dbraw/zinc/34/86/31/1332348631.db2.gz IMTCEXNDESVDMK-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001343456596 1332348633 /nfs/dbraw/zinc/34/86/33/1332348633.db2.gz IMTCEXNDESVDMK-ZACQAIPSSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCC[NH+]1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001001999013 1333893197 /nfs/dbraw/zinc/89/31/97/1333893197.db2.gz BDUFOEVYPCHZMU-UHFFFAOYSA-N 2 2 338.455 2.890 20 30 EFEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000849109804 1335553522 /nfs/dbraw/zinc/55/35/22/1335553522.db2.gz IDWNEYWJQOUTQB-QGZVFWFLSA-N 2 2 346.500 2.969 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001367629433 1338888481 /nfs/dbraw/zinc/88/84/81/1338888481.db2.gz CZUNBYPQTUNFQF-KGLIPLIRSA-N 2 2 332.835 2.575 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001390134322 1353843294 /nfs/dbraw/zinc/84/32/94/1353843294.db2.gz BTQSMTXFXDUASU-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001390134322 1353843298 /nfs/dbraw/zinc/84/32/98/1353843298.db2.gz BTQSMTXFXDUASU-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001390134322 1353843301 /nfs/dbraw/zinc/84/33/01/1353843301.db2.gz BTQSMTXFXDUASU-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001390134322 1353843307 /nfs/dbraw/zinc/84/33/07/1353843307.db2.gz BTQSMTXFXDUASU-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001392010998 1355712617 /nfs/dbraw/zinc/71/26/17/1355712617.db2.gz HJUCMBDARXPPDD-UHFFFAOYSA-N 2 2 332.835 2.948 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001378507369 1345130655 /nfs/dbraw/zinc/13/06/55/1345130655.db2.gz CNFZGOOBFKAPHZ-CVEARBPZSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001378507369 1345130658 /nfs/dbraw/zinc/13/06/58/1345130658.db2.gz CNFZGOOBFKAPHZ-CVEARBPZSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001379648117 1347225321 /nfs/dbraw/zinc/22/53/21/1347225321.db2.gz GJPKJKWDAWXVBB-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001379648117 1347225322 /nfs/dbraw/zinc/22/53/22/1347225322.db2.gz GJPKJKWDAWXVBB-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001392190453 1355845869 /nfs/dbraw/zinc/84/58/69/1355845869.db2.gz UGHUAZWDGKWIGP-LSDHHAIUSA-N 2 2 346.862 2.917 20 30 EFEDLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC001399003038 1360924852 /nfs/dbraw/zinc/92/48/52/1360924852.db2.gz NGXVAQGPTQRRNY-OAHLLOKOSA-N 2 2 336.439 2.787 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001399292621 1361133322 /nfs/dbraw/zinc/13/33/22/1361133322.db2.gz QIGGMBUTGMORSA-INIZCTEOSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001399292621 1361133324 /nfs/dbraw/zinc/13/33/24/1361133324.db2.gz QIGGMBUTGMORSA-INIZCTEOSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001402048523 1363358176 /nfs/dbraw/zinc/35/81/76/1363358176.db2.gz GUKOABPKKIVVSA-KRWDZBQOSA-N 2 2 344.846 2.819 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001437599737 1387813897 /nfs/dbraw/zinc/81/38/97/1387813897.db2.gz NQXWGEXJXVXXJV-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001437599737 1387813900 /nfs/dbraw/zinc/81/39/00/1387813900.db2.gz NQXWGEXJXVXXJV-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001437599737 1387813907 /nfs/dbraw/zinc/81/39/07/1387813907.db2.gz NQXWGEXJXVXXJV-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001437599737 1387813914 /nfs/dbraw/zinc/81/39/14/1387813914.db2.gz NQXWGEXJXVXXJV-MRXNPFEDSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001437866311 1388154242 /nfs/dbraw/zinc/15/42/42/1388154242.db2.gz LKSCBNIFSFUMAV-QGZVFWFLSA-N 2 2 335.879 2.670 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001437866311 1388154248 /nfs/dbraw/zinc/15/42/48/1388154248.db2.gz LKSCBNIFSFUMAV-QGZVFWFLSA-N 2 2 335.879 2.670 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420086634 1376440448 /nfs/dbraw/zinc/44/04/48/1376440448.db2.gz LUZZLWIIWXQFOK-GXTWGEPZSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001423965733 1382562145 /nfs/dbraw/zinc/56/21/45/1382562145.db2.gz YLOMGNJZSSFQQP-ZBFHGGJFSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001438777774 1388806816 /nfs/dbraw/zinc/80/68/16/1388806816.db2.gz XTOJDOYJNZPGMK-CVEARBPZSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001449056227 1392240453 /nfs/dbraw/zinc/24/04/53/1392240453.db2.gz SHNXUMNRLDRVGL-HOCLYGCPSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001449056227 1392240457 /nfs/dbraw/zinc/24/04/57/1392240457.db2.gz SHNXUMNRLDRVGL-HOCLYGCPSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001493848859 1398920690 /nfs/dbraw/zinc/92/06/90/1398920690.db2.gz GNBXLBFPMMXHPO-OAHLLOKOSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001498487079 1402140614 /nfs/dbraw/zinc/14/06/14/1402140614.db2.gz GKTRITQKRNWYPH-HUUCEWRRSA-N 2 2 346.862 2.965 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970212834 713567137 /nfs/dbraw/zinc/56/71/37/713567137.db2.gz KKHWICIOYLKDHT-OAHLLOKOSA-N 2 2 349.906 2.593 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970914335 714129095 /nfs/dbraw/zinc/12/90/95/714129095.db2.gz XEBIQOYPZDSINV-AWEZNQCLSA-N 2 2 335.879 2.551 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970914985 714130014 /nfs/dbraw/zinc/13/00/14/714130014.db2.gz DQZAVLSUIDERFN-INIZCTEOSA-N 2 2 329.488 2.765 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638372 714220800 /nfs/dbraw/zinc/22/08/00/714220800.db2.gz INFNBQHXEXJADO-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638372 714220802 /nfs/dbraw/zinc/22/08/02/714220802.db2.gz INFNBQHXEXJADO-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646791 714234837 /nfs/dbraw/zinc/23/48/37/714234837.db2.gz SBYGIITUMXTPIC-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646791 714234841 /nfs/dbraw/zinc/23/48/41/714234841.db2.gz SBYGIITUMXTPIC-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442741 714510688 /nfs/dbraw/zinc/51/06/88/714510688.db2.gz YXFKSPUGHGTARR-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442741 714510691 /nfs/dbraw/zinc/51/06/91/714510691.db2.gz YXFKSPUGHGTARR-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506446 715682458 /nfs/dbraw/zinc/68/24/58/715682458.db2.gz QFJAZBMXKLHSKQ-ZFWWWQNUSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506446 715682463 /nfs/dbraw/zinc/68/24/63/715682463.db2.gz QFJAZBMXKLHSKQ-ZFWWWQNUSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506444 715682783 /nfs/dbraw/zinc/68/27/83/715682783.db2.gz QFJAZBMXKLHSKQ-HIFRSBDPSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506444 715682788 /nfs/dbraw/zinc/68/27/88/715682788.db2.gz QFJAZBMXKLHSKQ-HIFRSBDPSA-N 2 2 332.835 2.670 20 30 EFEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977415484 716162028 /nfs/dbraw/zinc/16/20/28/716162028.db2.gz RPCLGFGYBROOKA-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977415484 716162031 /nfs/dbraw/zinc/16/20/31/716162031.db2.gz RPCLGFGYBROOKA-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369492 716388145 /nfs/dbraw/zinc/38/81/45/716388145.db2.gz DZQYVFRHLQNOLJ-INIZCTEOSA-N 2 2 326.444 2.661 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369492 716388151 /nfs/dbraw/zinc/38/81/51/716388151.db2.gz DZQYVFRHLQNOLJ-INIZCTEOSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445413 716472961 /nfs/dbraw/zinc/47/29/61/716472961.db2.gz PECNPBQPLABDKE-HNNXBMFYSA-N 2 2 326.444 2.971 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445413 716472965 /nfs/dbraw/zinc/47/29/65/716472965.db2.gz PECNPBQPLABDKE-HNNXBMFYSA-N 2 2 326.444 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452283 716486131 /nfs/dbraw/zinc/48/61/31/716486131.db2.gz WYNHUWZYVDGDFW-DLBZAZTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452283 716486135 /nfs/dbraw/zinc/48/61/35/716486135.db2.gz WYNHUWZYVDGDFW-DLBZAZTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452283 716486140 /nfs/dbraw/zinc/48/61/40/716486140.db2.gz WYNHUWZYVDGDFW-DLBZAZTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452283 716486145 /nfs/dbraw/zinc/48/61/45/716486145.db2.gz WYNHUWZYVDGDFW-DLBZAZTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696649 716539268 /nfs/dbraw/zinc/53/92/68/716539268.db2.gz QADPSSJNRYOGLW-MSOLQXFVSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696649 716539269 /nfs/dbraw/zinc/53/92/69/716539269.db2.gz QADPSSJNRYOGLW-MSOLQXFVSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929825 717228531 /nfs/dbraw/zinc/22/85/31/717228531.db2.gz JTRIVRUECHJEQG-DLBZAZTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929825 717228537 /nfs/dbraw/zinc/22/85/37/717228537.db2.gz JTRIVRUECHJEQG-DLBZAZTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929825 717228542 /nfs/dbraw/zinc/22/85/42/717228542.db2.gz JTRIVRUECHJEQG-DLBZAZTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929825 717228549 /nfs/dbraw/zinc/22/85/49/717228549.db2.gz JTRIVRUECHJEQG-DLBZAZTESA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440923 717740063 /nfs/dbraw/zinc/74/00/63/717740063.db2.gz VILAXAMZDGDCAN-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440923 717740067 /nfs/dbraw/zinc/74/00/67/717740067.db2.gz VILAXAMZDGDCAN-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C1 ZINC000980166848 717831400 /nfs/dbraw/zinc/83/14/00/717831400.db2.gz OXVZVKTYRGOUHM-FHWLQOOXSA-N 2 2 339.483 2.860 20 30 EFEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C1 ZINC000980166848 717831405 /nfs/dbraw/zinc/83/14/05/717831405.db2.gz OXVZVKTYRGOUHM-FHWLQOOXSA-N 2 2 339.483 2.860 20 30 EFEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980166854 717831656 /nfs/dbraw/zinc/83/16/56/717831656.db2.gz OXVZVKTYRGOUHM-IPMKNSEASA-N 2 2 339.483 2.860 20 30 EFEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980166854 717831661 /nfs/dbraw/zinc/83/16/61/717831661.db2.gz OXVZVKTYRGOUHM-IPMKNSEASA-N 2 2 339.483 2.860 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516349 717862031 /nfs/dbraw/zinc/86/20/31/717862031.db2.gz INBHNSYFRBUVJZ-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516349 717862036 /nfs/dbraw/zinc/86/20/36/717862036.db2.gz INBHNSYFRBUVJZ-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516349 717862042 /nfs/dbraw/zinc/86/20/42/717862042.db2.gz INBHNSYFRBUVJZ-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516349 717862044 /nfs/dbraw/zinc/86/20/44/717862044.db2.gz INBHNSYFRBUVJZ-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024523875 717871878 /nfs/dbraw/zinc/87/18/78/717871878.db2.gz RIBDZWGBIVDESW-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024523875 717871883 /nfs/dbraw/zinc/87/18/83/717871883.db2.gz RIBDZWGBIVDESW-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523875 717871891 /nfs/dbraw/zinc/87/18/91/717871891.db2.gz RIBDZWGBIVDESW-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523875 717871894 /nfs/dbraw/zinc/87/18/94/717871894.db2.gz RIBDZWGBIVDESW-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981169206 718163001 /nfs/dbraw/zinc/16/30/01/718163001.db2.gz YGFLTAKOFLSFGE-CABCVRRESA-N 2 2 338.883 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025228579 718444216 /nfs/dbraw/zinc/44/42/16/718444216.db2.gz ZADIYALAAVYOKC-IRXDYDNUSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025228579 718444218 /nfs/dbraw/zinc/44/42/18/718444218.db2.gz ZADIYALAAVYOKC-IRXDYDNUSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238297 718456133 /nfs/dbraw/zinc/45/61/33/718456133.db2.gz QXYBJKHEVJELLF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238297 718456135 /nfs/dbraw/zinc/45/61/35/718456135.db2.gz QXYBJKHEVJELLF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238297 718456136 /nfs/dbraw/zinc/45/61/36/718456136.db2.gz QXYBJKHEVJELLF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238297 718456139 /nfs/dbraw/zinc/45/61/39/718456139.db2.gz QXYBJKHEVJELLF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238295 718456188 /nfs/dbraw/zinc/45/61/88/718456188.db2.gz QXYBJKHEVJELLF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238295 718456190 /nfs/dbraw/zinc/45/61/90/718456190.db2.gz QXYBJKHEVJELLF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238295 718456191 /nfs/dbraw/zinc/45/61/91/718456191.db2.gz QXYBJKHEVJELLF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238295 718456193 /nfs/dbraw/zinc/45/61/93/718456193.db2.gz QXYBJKHEVJELLF-QZTJIDSGSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253764 718479846 /nfs/dbraw/zinc/47/98/46/718479846.db2.gz BFJFKOAKGAUDIJ-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253764 718479847 /nfs/dbraw/zinc/47/98/47/718479847.db2.gz BFJFKOAKGAUDIJ-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253765 718479887 /nfs/dbraw/zinc/47/98/87/718479887.db2.gz BFJFKOAKGAUDIJ-ROUUACIJSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253765 718479889 /nfs/dbraw/zinc/47/98/89/718479889.db2.gz BFJFKOAKGAUDIJ-ROUUACIJSA-N 2 2 330.476 2.695 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289587 718540573 /nfs/dbraw/zinc/54/05/73/718540573.db2.gz QWXVMYWGWBXVOU-IAGOWNOFSA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289587 718540577 /nfs/dbraw/zinc/54/05/77/718540577.db2.gz QWXVMYWGWBXVOU-IAGOWNOFSA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289586 718540759 /nfs/dbraw/zinc/54/07/59/718540759.db2.gz QWXVMYWGWBXVOU-DLBZAZTESA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025289586 718540761 /nfs/dbraw/zinc/54/07/61/718540761.db2.gz QWXVMYWGWBXVOU-DLBZAZTESA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297930 718545245 /nfs/dbraw/zinc/54/52/45/718545245.db2.gz SCKIHPNOUXEVBM-RTBURBONSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297930 718545249 /nfs/dbraw/zinc/54/52/49/718545249.db2.gz SCKIHPNOUXEVBM-RTBURBONSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300247 718546402 /nfs/dbraw/zinc/54/64/02/718546402.db2.gz ALYUXTTZRYEXIE-MSOLQXFVSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300247 718546403 /nfs/dbraw/zinc/54/64/03/718546403.db2.gz ALYUXTTZRYEXIE-MSOLQXFVSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025460361 718912521 /nfs/dbraw/zinc/91/25/21/718912521.db2.gz ZEUQLMMSDJBYEI-CABCVRRESA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025460361 718912523 /nfs/dbraw/zinc/91/25/23/718912523.db2.gz ZEUQLMMSDJBYEI-CABCVRRESA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025489820 719007980 /nfs/dbraw/zinc/00/79/80/719007980.db2.gz OICJTULGDCWTPK-HZPDHXFCSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025489820 719007983 /nfs/dbraw/zinc/00/79/83/719007983.db2.gz OICJTULGDCWTPK-HZPDHXFCSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981771029 719030083 /nfs/dbraw/zinc/03/00/83/719030083.db2.gz LSEJINKDZHMUQS-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981771029 719030087 /nfs/dbraw/zinc/03/00/87/719030087.db2.gz LSEJINKDZHMUQS-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981771558 719030873 /nfs/dbraw/zinc/03/08/73/719030873.db2.gz XQWURRHOIOLABO-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981771558 719030876 /nfs/dbraw/zinc/03/08/76/719030876.db2.gz XQWURRHOIOLABO-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@]2(C)C1 ZINC000982304624 719863301 /nfs/dbraw/zinc/86/33/01/719863301.db2.gz GKHJHWYRGKNQDT-BGYRXZFFSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@]2(C)C1 ZINC000982304624 719863305 /nfs/dbraw/zinc/86/33/05/719863305.db2.gz GKHJHWYRGKNQDT-BGYRXZFFSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000982306759 719877975 /nfs/dbraw/zinc/87/79/75/719877975.db2.gz XRKLYAGMIUQUDC-BGYRXZFFSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000982306759 719877981 /nfs/dbraw/zinc/87/79/81/719877981.db2.gz XRKLYAGMIUQUDC-BGYRXZFFSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000162588743 720761452 /nfs/dbraw/zinc/76/14/52/720761452.db2.gz LWTZYCRMQVEYGP-UHFFFAOYSA-N 2 2 331.464 2.618 20 30 EFEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982541807 720799962 /nfs/dbraw/zinc/79/99/62/720799962.db2.gz NMRJCNVHMJOCAL-RYGJVYDSSA-N 2 2 342.487 2.576 20 30 EFEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982541807 720799963 /nfs/dbraw/zinc/79/99/63/720799963.db2.gz NMRJCNVHMJOCAL-RYGJVYDSSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028538302 720988676 /nfs/dbraw/zinc/98/86/76/720988676.db2.gz BFWZUKBLFXPTTD-MRXNPFEDSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028538302 720988680 /nfs/dbraw/zinc/98/86/80/720988680.db2.gz BFWZUKBLFXPTTD-MRXNPFEDSA-N 2 2 326.444 2.661 20 30 EFEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974583751 721188663 /nfs/dbraw/zinc/18/86/63/721188663.db2.gz OLQXMTFLPDKGDI-MRXNPFEDSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974583751 721188665 /nfs/dbraw/zinc/18/86/65/721188665.db2.gz OLQXMTFLPDKGDI-MRXNPFEDSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974777921 721425095 /nfs/dbraw/zinc/42/50/95/721425095.db2.gz NPCMMIUOVILSSQ-OAHLLOKOSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974777921 721425098 /nfs/dbraw/zinc/42/50/98/721425098.db2.gz NPCMMIUOVILSSQ-OAHLLOKOSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903650 722085243 /nfs/dbraw/zinc/08/52/43/722085243.db2.gz YVMXTWHAAWNUPC-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903650 722085245 /nfs/dbraw/zinc/08/52/45/722085245.db2.gz YVMXTWHAAWNUPC-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992027219 725472140 /nfs/dbraw/zinc/47/21/40/725472140.db2.gz CCQJRBCREPAIBO-AZUAARDMSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992027219 725472142 /nfs/dbraw/zinc/47/21/42/725472142.db2.gz CCQJRBCREPAIBO-AZUAARDMSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992027223 725472198 /nfs/dbraw/zinc/47/21/98/725472198.db2.gz CCQJRBCREPAIBO-ICSRJNTNSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992027223 725472200 /nfs/dbraw/zinc/47/22/00/725472200.db2.gz CCQJRBCREPAIBO-ICSRJNTNSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992027225 725472384 /nfs/dbraw/zinc/47/23/84/725472384.db2.gz CCQJRBCREPAIBO-QUCCMNQESA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992027225 725472387 /nfs/dbraw/zinc/47/23/87/725472387.db2.gz CCQJRBCREPAIBO-QUCCMNQESA-N 2 2 336.439 2.785 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992239038 725638632 /nfs/dbraw/zinc/63/86/32/725638632.db2.gz HSNZUZLBLRRQLQ-CIWUYKSXSA-N 2 2 342.487 2.603 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992239038 725638635 /nfs/dbraw/zinc/63/86/35/725638635.db2.gz HSNZUZLBLRRQLQ-CIWUYKSXSA-N 2 2 342.487 2.603 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992357627 725743872 /nfs/dbraw/zinc/74/38/72/725743872.db2.gz BRCWZDSHHBMQBT-AZUAARDMSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992357627 725743873 /nfs/dbraw/zinc/74/38/73/725743873.db2.gz BRCWZDSHHBMQBT-AZUAARDMSA-N 2 2 336.439 2.785 20 30 EFEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC000992688763 726115387 /nfs/dbraw/zinc/11/53/87/726115387.db2.gz KNKSBBBMNWVWRO-RCCFBDPRSA-N 2 2 338.455 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC000992755147 726182519 /nfs/dbraw/zinc/18/25/19/726182519.db2.gz WNIZTOSZTUWGEL-QILLFSRXSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993336800 727144537 /nfs/dbraw/zinc/14/45/37/727144537.db2.gz MUVGJKBESWIWCZ-SJLPKXTDSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993336800 727144538 /nfs/dbraw/zinc/14/45/38/727144538.db2.gz MUVGJKBESWIWCZ-SJLPKXTDSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993490381 727292888 /nfs/dbraw/zinc/29/28/88/727292888.db2.gz KYLWQCWKXWVTGG-JKSUJKDBSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993490381 727292890 /nfs/dbraw/zinc/29/28/90/727292890.db2.gz KYLWQCWKXWVTGG-JKSUJKDBSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535378 727300198 /nfs/dbraw/zinc/30/01/98/727300198.db2.gz UERWHODLCKKVDK-PBHICJAKSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535378 727300200 /nfs/dbraw/zinc/30/02/00/727300200.db2.gz UERWHODLCKKVDK-PBHICJAKSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993615987 727326716 /nfs/dbraw/zinc/32/67/16/727326716.db2.gz PSCQDGNOAGGAME-BBRMVZONSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993615987 727326719 /nfs/dbraw/zinc/32/67/19/727326719.db2.gz PSCQDGNOAGGAME-BBRMVZONSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124263 727853652 /nfs/dbraw/zinc/85/36/52/727853652.db2.gz QAIPVVAFIIQOIC-MRXNPFEDSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124263 727853654 /nfs/dbraw/zinc/85/36/54/727853654.db2.gz QAIPVVAFIIQOIC-MRXNPFEDSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334012 728348908 /nfs/dbraw/zinc/34/89/08/728348908.db2.gz HYVFYORHZCYNFC-SJORKVTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334012 728348911 /nfs/dbraw/zinc/34/89/11/728348911.db2.gz HYVFYORHZCYNFC-SJORKVTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947334001 728350336 /nfs/dbraw/zinc/35/03/36/728350336.db2.gz HYVFYORHZCYNFC-DLBZAZTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947334001 728350339 /nfs/dbraw/zinc/35/03/39/728350339.db2.gz HYVFYORHZCYNFC-DLBZAZTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179520 728351691 /nfs/dbraw/zinc/35/16/91/728351691.db2.gz BHFTUECDFHVXLX-WBVHZDCISA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179520 728351693 /nfs/dbraw/zinc/35/16/93/728351693.db2.gz BHFTUECDFHVXLX-WBVHZDCISA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918895 728360158 /nfs/dbraw/zinc/36/01/58/728360158.db2.gz UTORXUXPADNUHR-QGZVFWFLSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918895 728360160 /nfs/dbraw/zinc/36/01/60/728360160.db2.gz UTORXUXPADNUHR-QGZVFWFLSA-N 2 2 339.911 2.584 20 30 EFEDLP CCNC(NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)=[NH+]CC ZINC000183887733 728382761 /nfs/dbraw/zinc/38/27/61/728382761.db2.gz QJHRNGREDFHKPJ-AWEZNQCLSA-N 2 2 330.398 2.883 20 30 EFEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000172112285 728568219 /nfs/dbraw/zinc/56/82/19/728568219.db2.gz LQUQBIVYJMPWLC-HXUWFJFHSA-N 2 2 330.472 2.535 20 30 EFEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000172112285 728568221 /nfs/dbraw/zinc/56/82/21/728568221.db2.gz LQUQBIVYJMPWLC-HXUWFJFHSA-N 2 2 330.472 2.535 20 30 EFEDLP CC1(C)[C@H]([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1[NH3+] ZINC001576385197 1089169345 /nfs/dbraw/zinc/16/93/45/1089169345.db2.gz YJDDPFMQUXTNSE-LSDHHAIUSA-N 2 2 346.500 2.543 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)ccc1OC ZINC001576931490 1089532399 /nfs/dbraw/zinc/53/23/99/1089532399.db2.gz LFCPNSXUZHHJRX-QWHCGFSZSA-N 2 2 345.365 2.745 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001580065437 1090759502 /nfs/dbraw/zinc/75/95/02/1090759502.db2.gz HKMYVNIDDZHLIN-KBXCAEBGSA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001580065437 1090759510 /nfs/dbraw/zinc/75/95/10/1090759510.db2.gz HKMYVNIDDZHLIN-KBXCAEBGSA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001580065438 1090759526 /nfs/dbraw/zinc/75/95/26/1090759526.db2.gz HKMYVNIDDZHLIN-KDOFPFPSSA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001580065438 1090759531 /nfs/dbraw/zinc/75/95/31/1090759531.db2.gz HKMYVNIDDZHLIN-KDOFPFPSSA-N 2 2 346.862 2.601 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075450940 1092922621 /nfs/dbraw/zinc/92/26/21/1092922621.db2.gz IKMGNAGEKKJUDE-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075450940 1092922630 /nfs/dbraw/zinc/92/26/30/1092922630.db2.gz IKMGNAGEKKJUDE-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457339 1093192075 /nfs/dbraw/zinc/19/20/75/1093192075.db2.gz PVDWOWZFJMFJKY-SFHVURJKSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457339 1093192077 /nfs/dbraw/zinc/19/20/77/1093192077.db2.gz PVDWOWZFJMFJKY-SFHVURJKSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001075461846 1093333716 /nfs/dbraw/zinc/33/37/16/1093333716.db2.gz TXYLOIZMSIPOBR-QGZVFWFLSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001075461846 1093333725 /nfs/dbraw/zinc/33/37/25/1093333725.db2.gz TXYLOIZMSIPOBR-QGZVFWFLSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738393 1094795626 /nfs/dbraw/zinc/79/56/26/1094795626.db2.gz SZFFHKXEVOFBKS-KZNAEPCWSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738392 1094796341 /nfs/dbraw/zinc/79/63/41/1094796341.db2.gz SZFFHKXEVOFBKS-FGTMMUONSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@@H]21 ZINC001087294931 1095048216 /nfs/dbraw/zinc/04/82/16/1095048216.db2.gz BAOHDGGXNWYGMJ-ZTFGCOKTSA-N 2 2 338.455 2.739 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4[nH+]ccn43)C(C)(C)[C@@H]21 ZINC001087294931 1095048227 /nfs/dbraw/zinc/04/82/27/1095048227.db2.gz BAOHDGGXNWYGMJ-ZTFGCOKTSA-N 2 2 338.455 2.739 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696937 1095238975 /nfs/dbraw/zinc/23/89/75/1095238975.db2.gz QIZRTHXFYGEORF-ZWKOTPCHSA-N 2 2 338.455 2.503 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777361 1095835745 /nfs/dbraw/zinc/83/57/45/1095835745.db2.gz GTABMLOXZCROTH-GVDBMIGSSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777361 1095835768 /nfs/dbraw/zinc/83/57/68/1095835768.db2.gz GTABMLOXZCROTH-GVDBMIGSSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001482312290 1099414603 /nfs/dbraw/zinc/41/46/03/1099414603.db2.gz GBLIEOCPKSTFNU-AWEZNQCLSA-N 2 2 332.835 2.675 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680299 1099867314 /nfs/dbraw/zinc/86/73/14/1099867314.db2.gz PFNTUCFOIHUMJZ-RBUKOAKNSA-N 2 2 338.455 2.503 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749240 1100724054 /nfs/dbraw/zinc/72/40/54/1100724054.db2.gz ATMOYUDTIZQEOR-IXDOHACOSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749240 1100724058 /nfs/dbraw/zinc/72/40/58/1100724058.db2.gz ATMOYUDTIZQEOR-IXDOHACOSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345632 1101964814 /nfs/dbraw/zinc/96/48/14/1101964814.db2.gz LPJHGDYLYCNBLZ-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167304 1101972865 /nfs/dbraw/zinc/97/28/65/1101972865.db2.gz FYHSKVYAAMMDOE-HNNXBMFYSA-N 2 2 330.476 2.672 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271396 1102210252 /nfs/dbraw/zinc/21/02/52/1102210252.db2.gz OVEWAXKJOQTGQS-BRWVUGGUSA-N 2 2 344.503 2.754 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001088335000 1102991519 /nfs/dbraw/zinc/99/15/19/1102991519.db2.gz UFZXLVJZSTZNLY-QGZVFWFLSA-N 2 2 332.492 2.864 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001409449705 1103024324 /nfs/dbraw/zinc/02/43/24/1103024324.db2.gz MAXGYBSDAFCZSZ-UHFFFAOYSA-N 2 2 338.883 2.775 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380767 1103318179 /nfs/dbraw/zinc/31/81/79/1103318179.db2.gz OURPTOUSCJFSFV-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC2(C)CC[NH2+]CC2)[nH+]1 ZINC001168186574 1104329000 /nfs/dbraw/zinc/32/90/00/1104329000.db2.gz DCUXVOMMJKQKQY-MKXOMJGDSA-N 2 2 336.505 2.825 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)CCC1 ZINC001105577126 1105965088 /nfs/dbraw/zinc/96/50/88/1105965088.db2.gz QZYHHBCTNSJRIF-SFHVURJKSA-N 2 2 344.503 2.680 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105581400 1105976557 /nfs/dbraw/zinc/97/65/57/1105976557.db2.gz GVPZTMJXAWEMRB-SFHVURJKSA-N 2 2 344.503 2.990 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105581399 1105976713 /nfs/dbraw/zinc/97/67/13/1105976713.db2.gz GVPZTMJXAWEMRB-GOSISDBHSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110312 1107625630 /nfs/dbraw/zinc/62/56/30/1107625630.db2.gz AUFXABKJKMBDFS-MRXNPFEDSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110312 1107625634 /nfs/dbraw/zinc/62/56/34/1107625634.db2.gz AUFXABKJKMBDFS-MRXNPFEDSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110312 1107625640 /nfs/dbraw/zinc/62/56/40/1107625640.db2.gz AUFXABKJKMBDFS-MRXNPFEDSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110312 1107625646 /nfs/dbraw/zinc/62/56/46/1107625646.db2.gz AUFXABKJKMBDFS-MRXNPFEDSA-N 2 2 341.927 2.830 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001272478403 1108452528 /nfs/dbraw/zinc/45/25/28/1108452528.db2.gz KGHSJHNPOCTAHV-QZTJIDSGSA-N 2 2 332.492 2.919 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001272478403 1108452533 /nfs/dbraw/zinc/45/25/33/1108452533.db2.gz KGHSJHNPOCTAHV-QZTJIDSGSA-N 2 2 332.492 2.919 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990707602 1108822503 /nfs/dbraw/zinc/82/25/03/1108822503.db2.gz CRQZDHDLNHVDJZ-XLIONFOSSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990707602 1108822510 /nfs/dbraw/zinc/82/25/10/1108822510.db2.gz CRQZDHDLNHVDJZ-XLIONFOSSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365698 1109790178 /nfs/dbraw/zinc/79/01/78/1109790178.db2.gz JZLADYIPXDKJCV-ZWKOTPCHSA-N 2 2 347.890 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365698 1109790180 /nfs/dbraw/zinc/79/01/80/1109790180.db2.gz JZLADYIPXDKJCV-ZWKOTPCHSA-N 2 2 347.890 2.647 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089415879 1112092039 /nfs/dbraw/zinc/09/20/39/1112092039.db2.gz DUQOPMSRQXWVCV-KRWDZBQOSA-N 2 2 345.487 2.816 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089415879 1112092043 /nfs/dbraw/zinc/09/20/43/1112092043.db2.gz DUQOPMSRQXWVCV-KRWDZBQOSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416457 1112095510 /nfs/dbraw/zinc/09/55/10/1112095510.db2.gz MHSINUQGXADQSX-KRWDZBQOSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416457 1112095515 /nfs/dbraw/zinc/09/55/15/1112095515.db2.gz MHSINUQGXADQSX-KRWDZBQOSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089420114 1112096870 /nfs/dbraw/zinc/09/68/70/1112096870.db2.gz JSVFNHHAFZWICR-OAHLLOKOSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089420114 1112096875 /nfs/dbraw/zinc/09/68/75/1112096875.db2.gz JSVFNHHAFZWICR-OAHLLOKOSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418767 1112098080 /nfs/dbraw/zinc/09/80/80/1112098080.db2.gz ALUHNNRTIXNWCS-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418767 1112098085 /nfs/dbraw/zinc/09/80/85/1112098085.db2.gz ALUHNNRTIXNWCS-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420738 1112100776 /nfs/dbraw/zinc/10/07/76/1112100776.db2.gz ODLYBPRFAXJEIX-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089420738 1112100777 /nfs/dbraw/zinc/10/07/77/1112100777.db2.gz ODLYBPRFAXJEIX-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648695 1112451103 /nfs/dbraw/zinc/45/11/03/1112451103.db2.gz PRYFYIMZJUQHBN-INIZCTEOSA-N 2 2 347.528 2.663 20 30 EFEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648695 1112451106 /nfs/dbraw/zinc/45/11/06/1112451106.db2.gz PRYFYIMZJUQHBN-INIZCTEOSA-N 2 2 347.528 2.663 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(=C)C ZINC001089652689 1112513210 /nfs/dbraw/zinc/51/32/10/1112513210.db2.gz JQLWGGUDPILONQ-MOPGFXCFSA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(=C)C ZINC001089652689 1112513211 /nfs/dbraw/zinc/51/32/11/1112513211.db2.gz JQLWGGUDPILONQ-MOPGFXCFSA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(=C)C ZINC001089652689 1112513214 /nfs/dbraw/zinc/51/32/14/1112513214.db2.gz JQLWGGUDPILONQ-MOPGFXCFSA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(=C)C ZINC001089652689 1112513217 /nfs/dbraw/zinc/51/32/17/1112513217.db2.gz JQLWGGUDPILONQ-MOPGFXCFSA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089654376 1112529534 /nfs/dbraw/zinc/52/95/34/1112529534.db2.gz XYQANQKPDOQOLU-MOPGFXCFSA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089654376 1112529537 /nfs/dbraw/zinc/52/95/37/1112529537.db2.gz XYQANQKPDOQOLU-MOPGFXCFSA-N 2 2 345.531 2.657 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089654376 1112529541 /nfs/dbraw/zinc/52/95/41/1112529541.db2.gz XYQANQKPDOQOLU-MOPGFXCFSA-N 2 2 345.531 2.657 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657291 1112578064 /nfs/dbraw/zinc/57/80/64/1112578064.db2.gz CIRUUGLLIJDVDC-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657291 1112578070 /nfs/dbraw/zinc/57/80/70/1112578070.db2.gz CIRUUGLLIJDVDC-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089661924 1112602897 /nfs/dbraw/zinc/60/28/97/1112602897.db2.gz ZUWGDXLBCKBZLM-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089661924 1112602899 /nfs/dbraw/zinc/60/28/99/1112602899.db2.gz ZUWGDXLBCKBZLM-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001272700308 1118455601 /nfs/dbraw/zinc/45/56/01/1118455601.db2.gz VEBUKMIZOJWMBC-UHFFFAOYSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272703089 1118685614 /nfs/dbraw/zinc/68/56/14/1118685614.db2.gz YZPFSHVSLAQKPY-HXUWFJFHSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCCCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272703089 1118685617 /nfs/dbraw/zinc/68/56/17/1118685617.db2.gz YZPFSHVSLAQKPY-HXUWFJFHSA-N 2 2 344.503 2.944 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487893 1118905987 /nfs/dbraw/zinc/90/59/87/1118905987.db2.gz XJBYFWMDDDASBE-CVEARBPZSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487893 1118905992 /nfs/dbraw/zinc/90/59/92/1118905992.db2.gz XJBYFWMDDDASBE-CVEARBPZSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487895 1118906336 /nfs/dbraw/zinc/90/63/36/1118906336.db2.gz XJBYFWMDDDASBE-HZPDHXFCSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487895 1118906339 /nfs/dbraw/zinc/90/63/39/1118906339.db2.gz XJBYFWMDDDASBE-HZPDHXFCSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537829 1118939206 /nfs/dbraw/zinc/93/92/06/1118939206.db2.gz GXDNERVYLYRMSU-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537829 1118939210 /nfs/dbraw/zinc/93/92/10/1118939210.db2.gz GXDNERVYLYRMSU-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942538444 1118940138 /nfs/dbraw/zinc/94/01/38/1118940138.db2.gz PULABLBATWSBHN-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942538444 1118940142 /nfs/dbraw/zinc/94/01/42/1118940142.db2.gz PULABLBATWSBHN-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875277 1119766356 /nfs/dbraw/zinc/76/63/56/1119766356.db2.gz CVPYFFILRXAFIV-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875277 1119766357 /nfs/dbraw/zinc/76/63/57/1119766357.db2.gz CVPYFFILRXAFIV-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001485817838 1119786241 /nfs/dbraw/zinc/78/62/41/1119786241.db2.gz UENZDOXJHHLFRP-OAHLLOKOSA-N 2 2 332.835 2.527 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958377 231081933 /nfs/dbraw/zinc/08/19/33/231081933.db2.gz HIICQWGODDMGKO-WBVHZDCISA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958377 231081937 /nfs/dbraw/zinc/08/19/37/231081937.db2.gz HIICQWGODDMGKO-WBVHZDCISA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173958377 231081939 /nfs/dbraw/zinc/08/19/39/231081939.db2.gz HIICQWGODDMGKO-WBVHZDCISA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173958377 231081942 /nfs/dbraw/zinc/08/19/42/231081942.db2.gz HIICQWGODDMGKO-WBVHZDCISA-N 2 2 328.460 2.691 20 30 EFEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859778 234356012 /nfs/dbraw/zinc/35/60/12/234356012.db2.gz VSURJESLWGEGBG-NHCUHLMSSA-N 3 2 340.515 2.985 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053943 240299168 /nfs/dbraw/zinc/29/91/68/240299168.db2.gz YHACJTDXQRBSHE-AQNXPRMDSA-N 2 2 327.472 2.949 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053943 240299174 /nfs/dbraw/zinc/29/91/74/240299174.db2.gz YHACJTDXQRBSHE-AQNXPRMDSA-N 2 2 327.472 2.949 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053946 240299187 /nfs/dbraw/zinc/29/91/87/240299187.db2.gz YHACJTDXQRBSHE-HSALFYBXSA-N 2 2 327.472 2.949 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053946 240299192 /nfs/dbraw/zinc/29/91/92/240299192.db2.gz YHACJTDXQRBSHE-HSALFYBXSA-N 2 2 327.472 2.949 20 30 EFEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N1CCc2ccccc21 ZINC000262950497 240375638 /nfs/dbraw/zinc/37/56/38/240375638.db2.gz BSZWGDJOUXWJKI-QGZVFWFLSA-N 2 2 328.485 2.989 20 30 EFEDLP CCC[NH+]1CCC([NH2+]CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000328645068 241211934 /nfs/dbraw/zinc/21/19/34/241211934.db2.gz GGGNLQLJLDNUQR-KRWDZBQOSA-N 2 2 331.460 2.931 20 30 EFEDLP Cn1cc[nH+]c1[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000329078159 241298996 /nfs/dbraw/zinc/29/89/96/241298996.db2.gz CWDFAJYOCZSFHN-QGZVFWFLSA-N 2 2 346.475 2.719 20 30 EFEDLP C[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000329165398 241318028 /nfs/dbraw/zinc/31/80/28/241318028.db2.gz HDLGPVKASHZPGK-CWRNSKLLSA-N 2 2 334.464 2.575 20 30 EFEDLP C[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329165398 241318032 /nfs/dbraw/zinc/31/80/32/241318032.db2.gz HDLGPVKASHZPGK-CWRNSKLLSA-N 2 2 334.464 2.575 20 30 EFEDLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)cn2c1 ZINC000329261196 241337101 /nfs/dbraw/zinc/33/71/01/241337101.db2.gz ZDFASQGRYKNIJP-WBVHZDCISA-N 2 2 341.459 2.615 20 30 EFEDLP CN(C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1c[nH+]cn1C ZINC000329273476 241338459 /nfs/dbraw/zinc/33/84/59/241338459.db2.gz JXYJOROSOXDBTA-SFHVURJKSA-N 2 2 347.507 2.634 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OC ZINC000362967320 242270063 /nfs/dbraw/zinc/27/00/63/242270063.db2.gz PUADLYAIFXRJIE-MSOLQXFVSA-N 2 2 346.471 2.603 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OC ZINC000362967320 242270067 /nfs/dbraw/zinc/27/00/67/242270067.db2.gz PUADLYAIFXRJIE-MSOLQXFVSA-N 2 2 346.471 2.603 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430580074 247804304 /nfs/dbraw/zinc/80/43/04/247804304.db2.gz DGLYSHQJLGVFQW-HUUCEWRRSA-N 2 2 333.501 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430580074 247804306 /nfs/dbraw/zinc/80/43/06/247804306.db2.gz DGLYSHQJLGVFQW-HUUCEWRRSA-N 2 2 333.501 2.962 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000266093103 248091057 /nfs/dbraw/zinc/09/10/57/248091057.db2.gz ISKUGVYRCKJAMV-OAHLLOKOSA-N 2 2 335.517 2.725 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266601253 248378096 /nfs/dbraw/zinc/37/80/96/248378096.db2.gz XAWMSFFPYNORRM-FQEVSTJZSA-N 2 2 341.499 2.641 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266601253 248378097 /nfs/dbraw/zinc/37/80/97/248378097.db2.gz XAWMSFFPYNORRM-FQEVSTJZSA-N 2 2 341.499 2.641 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266601253 248378099 /nfs/dbraw/zinc/37/80/99/248378099.db2.gz XAWMSFFPYNORRM-FQEVSTJZSA-N 2 2 341.499 2.641 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266601253 248378101 /nfs/dbraw/zinc/37/81/01/248378101.db2.gz XAWMSFFPYNORRM-FQEVSTJZSA-N 2 2 341.499 2.641 20 30 EFEDLP N#C[C@@H]1CC[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708341 250104180 /nfs/dbraw/zinc/10/41/80/250104180.db2.gz FYQUBVVILRTBKB-RTWAWAEBSA-N 2 2 340.515 2.866 20 30 EFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000267432774 251052767 /nfs/dbraw/zinc/05/27/67/251052767.db2.gz ZAWPAILKCCMLGN-CYBMUJFWSA-N 2 2 343.456 2.778 20 30 EFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000267432774 251052772 /nfs/dbraw/zinc/05/27/72/251052772.db2.gz ZAWPAILKCCMLGN-CYBMUJFWSA-N 2 2 343.456 2.778 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cc1 ZINC000449685119 251115096 /nfs/dbraw/zinc/11/50/96/251115096.db2.gz RKDCVNQFFKPIPC-LJQANCHMSA-N 2 2 327.472 2.929 20 30 EFEDLP C=CCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000449821221 251167553 /nfs/dbraw/zinc/16/75/53/251167553.db2.gz PDYPHFGYRAVTSX-UHFFFAOYSA-N 2 2 333.520 2.798 20 30 EFEDLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000450246065 251313214 /nfs/dbraw/zinc/31/32/14/251313214.db2.gz ZTRJBEDBJJMNBM-NRFANRHFSA-N 2 2 340.515 2.939 20 30 EFEDLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000450246065 251313218 /nfs/dbraw/zinc/31/32/18/251313218.db2.gz ZTRJBEDBJJMNBM-NRFANRHFSA-N 2 2 340.515 2.939 20 30 EFEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268874976 252321924 /nfs/dbraw/zinc/32/19/24/252321924.db2.gz GSRKVBAQXBWAAG-RDJZCZTQSA-N 2 2 337.895 2.714 20 30 EFEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268874976 252321929 /nfs/dbraw/zinc/32/19/29/252321929.db2.gz GSRKVBAQXBWAAG-RDJZCZTQSA-N 2 2 337.895 2.714 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246313765 285037716 /nfs/dbraw/zinc/03/77/16/285037716.db2.gz GGAHBFIRWZYKBM-GUDVDZBRSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246313765 285037718 /nfs/dbraw/zinc/03/77/18/285037718.db2.gz GGAHBFIRWZYKBM-GUDVDZBRSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246313765 285037720 /nfs/dbraw/zinc/03/77/20/285037720.db2.gz GGAHBFIRWZYKBM-GUDVDZBRSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246313765 285037722 /nfs/dbraw/zinc/03/77/22/285037722.db2.gz GGAHBFIRWZYKBM-GUDVDZBRSA-N 2 2 348.535 2.581 20 30 EFEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(C#N)cs3)[nH+]c2)C1 ZINC000344979574 142106690 /nfs/dbraw/zinc/10/66/90/142106690.db2.gz DVJRLOFBDZAEDO-OAHLLOKOSA-N 2 2 327.457 2.767 20 30 EFEDLP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344151969 145380397 /nfs/dbraw/zinc/38/03/97/145380397.db2.gz XMOPTGMWUAHOGF-APWZRJJASA-N 2 2 329.488 2.909 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000352876652 146338473 /nfs/dbraw/zinc/33/84/73/146338473.db2.gz OHHICKXHTFKTJQ-IAGOWNOFSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000123050458 222206441 /nfs/dbraw/zinc/20/64/41/222206441.db2.gz FSKSRLHRHUFTOQ-IYBDPMFKSA-N 2 2 332.517 2.610 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000123050458 222206442 /nfs/dbraw/zinc/20/64/42/222206442.db2.gz FSKSRLHRHUFTOQ-IYBDPMFKSA-N 2 2 332.517 2.610 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423485881 270028081 /nfs/dbraw/zinc/02/80/81/270028081.db2.gz RZSIJLDLSMSLCG-IBGZPJMESA-N 3 2 326.488 2.644 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423462855 270028168 /nfs/dbraw/zinc/02/81/68/270028168.db2.gz FFFOBHJYFKZGCD-OALUTQOASA-N 3 2 326.488 2.630 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000189996656 266273314 /nfs/dbraw/zinc/27/33/14/266273314.db2.gz RHNOMIFEBQOQHB-APWZRJJASA-N 2 2 345.487 2.793 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000189996656 266273318 /nfs/dbraw/zinc/27/33/18/266273318.db2.gz RHNOMIFEBQOQHB-APWZRJJASA-N 2 2 345.487 2.793 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000189996676 266274235 /nfs/dbraw/zinc/27/42/35/266274235.db2.gz RHNOMIFEBQOQHB-VQIMIIECSA-N 2 2 345.487 2.793 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000189996676 266274237 /nfs/dbraw/zinc/27/42/37/266274237.db2.gz RHNOMIFEBQOQHB-VQIMIIECSA-N 2 2 345.487 2.793 20 30 EFEDLP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000293040217 267018832 /nfs/dbraw/zinc/01/88/32/267018832.db2.gz QOMIFEWLFPVLGB-UZLBHIALSA-N 2 2 327.472 2.663 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311372 267046178 /nfs/dbraw/zinc/04/61/78/267046178.db2.gz OXYGUPKPGDJVOL-KUHUBIRLSA-N 2 2 335.455 2.531 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311372 267046180 /nfs/dbraw/zinc/04/61/80/267046180.db2.gz OXYGUPKPGDJVOL-KUHUBIRLSA-N 2 2 335.455 2.531 20 30 EFEDLP CCn1ccnc1C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000522061115 267257667 /nfs/dbraw/zinc/25/76/67/267257667.db2.gz VTHBQFNDAZLRGU-IBGZPJMESA-N 2 2 349.482 2.919 20 30 EFEDLP CCn1ccnc1C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000522061115 267257668 /nfs/dbraw/zinc/25/76/68/267257668.db2.gz VTHBQFNDAZLRGU-IBGZPJMESA-N 2 2 349.482 2.919 20 30 EFEDLP N#Cc1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000277856282 268116496 /nfs/dbraw/zinc/11/64/96/268116496.db2.gz TWJAJICRHHNRJH-UHFFFAOYSA-N 2 2 329.835 2.620 20 30 EFEDLP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000292394922 268184941 /nfs/dbraw/zinc/18/49/41/268184941.db2.gz ZZRBREKGZHKERI-IBGZPJMESA-N 2 2 345.406 2.792 20 30 EFEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000292394922 268184942 /nfs/dbraw/zinc/18/49/42/268184942.db2.gz ZZRBREKGZHKERI-IBGZPJMESA-N 2 2 345.406 2.792 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453410 289342465 /nfs/dbraw/zinc/34/24/65/289342465.db2.gz RCAPGLQXVJVQHV-MSOLQXFVSA-N 2 2 346.519 2.525 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453410 289342466 /nfs/dbraw/zinc/34/24/66/289342466.db2.gz RCAPGLQXVJVQHV-MSOLQXFVSA-N 2 2 346.519 2.525 20 30 EFEDLP N#Cc1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000083476689 292824509 /nfs/dbraw/zinc/82/45/09/292824509.db2.gz YSEQDZYQMXBELG-UHFFFAOYSA-N 2 2 327.472 2.931 20 30 EFEDLP N#Cc1csc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000177686887 310775929 /nfs/dbraw/zinc/77/59/29/310775929.db2.gz LXZDNVXRFMRAGO-UHFFFAOYSA-N 2 2 327.453 2.742 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(C#N)cc3)c2cc1C ZINC000553790016 318293657 /nfs/dbraw/zinc/29/36/57/318293657.db2.gz JDGAWSJSPZQUMC-SFHVURJKSA-N 2 2 334.423 2.676 20 30 EFEDLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1Cl ZINC000567673920 319194692 /nfs/dbraw/zinc/19/46/92/319194692.db2.gz STHDAAYWAOVTAZ-LLVKDONJSA-N 2 2 344.850 2.648 20 30 EFEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000572364650 319662483 /nfs/dbraw/zinc/66/24/83/319662483.db2.gz HHXYQVLAXQJSOK-HNNXBMFYSA-N 2 2 348.454 2.820 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124390657 473240633 /nfs/dbraw/zinc/24/06/33/473240633.db2.gz DTGYDKHEGWPWLP-CYBMUJFWSA-N 2 2 345.834 2.757 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124390657 473240639 /nfs/dbraw/zinc/24/06/39/473240639.db2.gz DTGYDKHEGWPWLP-CYBMUJFWSA-N 2 2 345.834 2.757 20 30 EFEDLP CC(C)[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000095995499 473248995 /nfs/dbraw/zinc/24/89/95/473248995.db2.gz AZUPDIZNCWLEJK-UHFFFAOYSA-N 2 2 337.471 2.921 20 30 EFEDLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000176951825 473274845 /nfs/dbraw/zinc/27/48/45/473274845.db2.gz SNISLBZYYQJDBS-UHFFFAOYSA-N 2 2 340.496 2.657 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109964 472273458 /nfs/dbraw/zinc/27/34/58/472273458.db2.gz ODVKOKJNUNAFGJ-FQEVSTJZSA-N 2 2 343.515 2.865 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109964 472273464 /nfs/dbraw/zinc/27/34/64/472273464.db2.gz ODVKOKJNUNAFGJ-FQEVSTJZSA-N 2 2 343.515 2.865 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109964 472273469 /nfs/dbraw/zinc/27/34/69/472273469.db2.gz ODVKOKJNUNAFGJ-FQEVSTJZSA-N 2 2 343.515 2.865 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109964 472273477 /nfs/dbraw/zinc/27/34/77/472273477.db2.gz ODVKOKJNUNAFGJ-FQEVSTJZSA-N 2 2 343.515 2.865 20 30 EFEDLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000097034816 472417161 /nfs/dbraw/zinc/41/71/61/472417161.db2.gz YVZKSRQQUGCBRF-NDXORKPFSA-N 2 2 335.451 2.844 20 30 EFEDLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000097034816 472417164 /nfs/dbraw/zinc/41/71/64/472417164.db2.gz YVZKSRQQUGCBRF-NDXORKPFSA-N 2 2 335.451 2.844 20 30 EFEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000076897782 472421037 /nfs/dbraw/zinc/42/10/37/472421037.db2.gz KHTANWIZKXYGTP-QGZVFWFLSA-N 2 2 331.460 2.570 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130368853 472601792 /nfs/dbraw/zinc/60/17/92/472601792.db2.gz GTYLORWFJAOFDZ-QGZVFWFLSA-N 2 2 339.443 2.540 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130368853 472601796 /nfs/dbraw/zinc/60/17/96/472601796.db2.gz GTYLORWFJAOFDZ-QGZVFWFLSA-N 2 2 339.443 2.540 20 30 EFEDLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000119996286 472614110 /nfs/dbraw/zinc/61/41/10/472614110.db2.gz LMHCJLCXFNRGEB-UHFFFAOYSA-N 2 2 337.427 2.857 20 30 EFEDLP COc1cccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000104178780 472659456 /nfs/dbraw/zinc/65/94/56/472659456.db2.gz XVYMINBHEQNLMH-UHFFFAOYSA-N 2 2 339.374 2.947 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965688 472748515 /nfs/dbraw/zinc/74/85/15/472748515.db2.gz HBSSQOJMOIIIOM-OALUTQOASA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965688 472748519 /nfs/dbraw/zinc/74/85/19/472748519.db2.gz HBSSQOJMOIIIOM-OALUTQOASA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965688 472748521 /nfs/dbraw/zinc/74/85/21/472748521.db2.gz HBSSQOJMOIIIOM-OALUTQOASA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965688 472748526 /nfs/dbraw/zinc/74/85/26/472748526.db2.gz HBSSQOJMOIIIOM-OALUTQOASA-N 2 2 335.536 2.997 20 30 EFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093016995 473028407 /nfs/dbraw/zinc/02/84/07/473028407.db2.gz YRGMQHKOAJVZCI-LJQANCHMSA-N 2 2 330.472 2.796 20 30 EFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093016995 473028414 /nfs/dbraw/zinc/02/84/14/473028414.db2.gz YRGMQHKOAJVZCI-LJQANCHMSA-N 2 2 330.472 2.796 20 30 EFEDLP C[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000066243081 473063955 /nfs/dbraw/zinc/06/39/55/473063955.db2.gz BXZRZUBRIIZYPM-QGZVFWFLSA-N 2 2 337.471 2.624 20 30 EFEDLP N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)n2c1 ZINC000123275725 473119665 /nfs/dbraw/zinc/11/96/65/473119665.db2.gz QCYLBPLAIPCSAP-UHFFFAOYSA-N 2 2 342.406 2.741 20 30 EFEDLP C=CC[NH+](CC=C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000114723751 473498712 /nfs/dbraw/zinc/49/87/12/473498712.db2.gz GKLNRZVFLJSSNP-UHFFFAOYSA-N 2 2 345.512 2.848 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000185799916 473518102 /nfs/dbraw/zinc/51/81/02/473518102.db2.gz BSBLEHJAEDHMNK-MJGOQNOKSA-N 2 2 343.471 2.570 20 30 EFEDLP Cc1cc[nH+]c(N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000166194715 473522713 /nfs/dbraw/zinc/52/27/13/473522713.db2.gz MEKJEUQARFETEO-UHFFFAOYSA-N 2 2 336.439 2.853 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152414908 473559660 /nfs/dbraw/zinc/55/96/60/473559660.db2.gz UYYWZCNINDEBSK-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152414908 473559667 /nfs/dbraw/zinc/55/96/67/473559667.db2.gz UYYWZCNINDEBSK-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152414908 473559671 /nfs/dbraw/zinc/55/96/71/473559671.db2.gz UYYWZCNINDEBSK-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152414908 473559679 /nfs/dbraw/zinc/55/96/79/473559679.db2.gz UYYWZCNINDEBSK-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCO)c3ccco3)CC2)cc1 ZINC000186529718 473686434 /nfs/dbraw/zinc/68/64/34/473686434.db2.gz JZWDUJJRCVXMFK-IBGZPJMESA-N 2 2 339.439 2.829 20 30 EFEDLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181426903 474035010 /nfs/dbraw/zinc/03/50/10/474035010.db2.gz IXGSBMGTOSMJGN-ULQDDVLXSA-N 2 2 331.460 2.739 20 30 EFEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318006 474057128 /nfs/dbraw/zinc/05/71/28/474057128.db2.gz REIBASXJOCMADQ-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318006 474057134 /nfs/dbraw/zinc/05/71/34/474057134.db2.gz REIBASXJOCMADQ-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1cccc(C#N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188318006 474057141 /nfs/dbraw/zinc/05/71/41/474057141.db2.gz REIBASXJOCMADQ-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1cccc(C#N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188318006 474057147 /nfs/dbraw/zinc/05/71/47/474057147.db2.gz REIBASXJOCMADQ-OAQYLSRUSA-N 2 2 335.451 2.627 20 30 EFEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000270857028 474295914 /nfs/dbraw/zinc/29/59/14/474295914.db2.gz HPAZUTLQNUCDTD-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000265795346 474340839 /nfs/dbraw/zinc/34/08/39/474340839.db2.gz AKRVTBOZBTUWHU-UHFFFAOYSA-N 2 2 343.471 2.896 20 30 EFEDLP CC(=O)Nc1cccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267025915 474569187 /nfs/dbraw/zinc/56/91/87/474569187.db2.gz SXFZQUYIYAAZSK-UHFFFAOYSA-N 2 2 340.427 2.544 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1 ZINC000249577830 474595516 /nfs/dbraw/zinc/59/55/16/474595516.db2.gz AMGFOPHPMRJFJE-XUVXKRRUSA-N 2 2 325.456 2.680 20 30 EFEDLP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000291183507 474597162 /nfs/dbraw/zinc/59/71/62/474597162.db2.gz KUPYLAXQWKSBPB-HXUWFJFHSA-N 2 2 327.472 2.927 20 30 EFEDLP Cc1sc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C#N)c1C ZINC000267365793 474659476 /nfs/dbraw/zinc/65/94/76/474659476.db2.gz JAHIJGBIQKJGFT-UHFFFAOYSA-N 2 2 343.456 2.778 20 30 EFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278572257 474710925 /nfs/dbraw/zinc/71/09/25/474710925.db2.gz DUAQJFBOSWGHOK-UHFFFAOYSA-N 2 2 346.438 2.895 20 30 EFEDLP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305783183 474780189 /nfs/dbraw/zinc/78/01/89/474780189.db2.gz QBXYBQXZGANKPJ-OXJNMPFZSA-N 2 2 329.488 2.909 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900775 474903727 /nfs/dbraw/zinc/90/37/27/474903727.db2.gz ZHXHWJMJVNHFEB-OALUTQOASA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900775 474903733 /nfs/dbraw/zinc/90/37/33/474903733.db2.gz ZHXHWJMJVNHFEB-OALUTQOASA-N 2 2 342.487 2.542 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278902730 474905753 /nfs/dbraw/zinc/90/57/53/474905753.db2.gz POQXPGASRNDYBU-UHFFFAOYSA-N 2 2 344.503 2.823 20 30 EFEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101464 474927972 /nfs/dbraw/zinc/92/79/72/474927972.db2.gz AEIURZFDXYNSSP-PSBWJHGTSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[N@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101464 474927976 /nfs/dbraw/zinc/92/79/76/474927976.db2.gz AEIURZFDXYNSSP-PSBWJHGTSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101464 474927979 /nfs/dbraw/zinc/92/79/79/474927979.db2.gz AEIURZFDXYNSSP-PSBWJHGTSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1 ZINC000339101464 474927982 /nfs/dbraw/zinc/92/79/82/474927982.db2.gz AEIURZFDXYNSSP-PSBWJHGTSA-N 2 2 329.492 2.817 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285690123 475037497 /nfs/dbraw/zinc/03/74/97/475037497.db2.gz OIYCBJIVRGEPAU-QGZVFWFLSA-N 2 2 333.476 2.622 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285690123 475037511 /nfs/dbraw/zinc/03/75/11/475037511.db2.gz OIYCBJIVRGEPAU-QGZVFWFLSA-N 2 2 333.476 2.622 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285690123 475037518 /nfs/dbraw/zinc/03/75/18/475037518.db2.gz OIYCBJIVRGEPAU-QGZVFWFLSA-N 2 2 333.476 2.622 20 30 EFEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccco1 ZINC000286112071 475052891 /nfs/dbraw/zinc/05/28/91/475052891.db2.gz NSTNBLSADXAWFB-IRXDYDNUSA-N 2 2 333.476 2.819 20 30 EFEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccco1 ZINC000286112071 475052898 /nfs/dbraw/zinc/05/28/98/475052898.db2.gz NSTNBLSADXAWFB-IRXDYDNUSA-N 2 2 333.476 2.819 20 30 EFEDLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329797346 475134981 /nfs/dbraw/zinc/13/49/81/475134981.db2.gz FMCJRPWNAAAUGV-UHFFFAOYSA-N 2 2 347.507 2.903 20 30 EFEDLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[N@H+]1C ZINC000329810976 475138208 /nfs/dbraw/zinc/13/82/08/475138208.db2.gz MQOKJSBDEJTACC-WBVHZDCISA-N 2 2 345.491 2.558 20 30 EFEDLP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287567874 475198134 /nfs/dbraw/zinc/19/81/34/475198134.db2.gz QLMRSDXOIDNVQC-LPHOPBHVSA-N 2 2 327.472 2.785 20 30 EFEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])Nc2cc(F)ccc2F)C[C@H](C)O1 ZINC000262245063 475206456 /nfs/dbraw/zinc/20/64/56/475206456.db2.gz CHPCWXNRTNHNTI-TXEJJXNPSA-N 2 2 340.418 2.579 20 30 EFEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])Nc2cc(F)ccc2F)C[C@H](C)O1 ZINC000262245063 475206464 /nfs/dbraw/zinc/20/64/64/475206464.db2.gz CHPCWXNRTNHNTI-TXEJJXNPSA-N 2 2 340.418 2.579 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000330245238 475217126 /nfs/dbraw/zinc/21/71/26/475217126.db2.gz DQQFKPBPKHFEKL-HOCLYGCPSA-N 2 2 333.480 2.827 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000330245238 475217130 /nfs/dbraw/zinc/21/71/30/475217130.db2.gz DQQFKPBPKHFEKL-HOCLYGCPSA-N 2 2 333.480 2.827 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000348115326 475402240 /nfs/dbraw/zinc/40/22/40/475402240.db2.gz XZSOKQXCFOVATD-IEBWSBKVSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000348115326 475402252 /nfs/dbraw/zinc/40/22/52/475402252.db2.gz XZSOKQXCFOVATD-IEBWSBKVSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000348115326 475402261 /nfs/dbraw/zinc/40/22/61/475402261.db2.gz XZSOKQXCFOVATD-IEBWSBKVSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000348115326 475402273 /nfs/dbraw/zinc/40/22/73/475402273.db2.gz XZSOKQXCFOVATD-IEBWSBKVSA-N 2 2 334.508 2.718 20 30 EFEDLP Cc1cc[nH+]c(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000332046807 475492828 /nfs/dbraw/zinc/49/28/28/475492828.db2.gz KTWPOQNFQAMFKF-UHFFFAOYSA-N 2 2 328.460 2.613 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677479 475655049 /nfs/dbraw/zinc/65/50/49/475655049.db2.gz HGONOPZFVWLJCL-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677479 475655054 /nfs/dbraw/zinc/65/50/54/475655054.db2.gz HGONOPZFVWLJCL-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677479 475655057 /nfs/dbraw/zinc/65/50/57/475655057.db2.gz HGONOPZFVWLJCL-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677479 475655063 /nfs/dbraw/zinc/65/50/63/475655063.db2.gz HGONOPZFVWLJCL-IAGOWNOFSA-N 2 2 337.427 2.524 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000346619531 475704897 /nfs/dbraw/zinc/70/48/97/475704897.db2.gz QRDSKZAXRDBMKY-QAPCUYQASA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000346619531 475704905 /nfs/dbraw/zinc/70/49/05/475704905.db2.gz QRDSKZAXRDBMKY-QAPCUYQASA-N 2 2 333.451 2.924 20 30 EFEDLP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(Cl)s1 ZINC000338251691 475713018 /nfs/dbraw/zinc/71/30/18/475713018.db2.gz NGJZGRRCUXCLGC-UHFFFAOYSA-N 2 2 341.908 2.554 20 30 EFEDLP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(Cl)s1 ZINC000338251691 475713026 /nfs/dbraw/zinc/71/30/26/475713026.db2.gz NGJZGRRCUXCLGC-UHFFFAOYSA-N 2 2 341.908 2.554 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298458134 476100787 /nfs/dbraw/zinc/10/07/87/476100787.db2.gz OFJDIDJZROYLOI-QGZVFWFLSA-N 2 2 329.488 2.652 20 30 EFEDLP C[C@@H]1CN(CC#Cc2ccccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343744963 476108142 /nfs/dbraw/zinc/10/81/42/476108142.db2.gz VVESKOKCZIRWBT-QGZVFWFLSA-N 2 2 345.918 2.792 20 30 EFEDLP C[C@@H]1CN(CC#Cc2ccccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343744963 476108149 /nfs/dbraw/zinc/10/81/49/476108149.db2.gz VVESKOKCZIRWBT-QGZVFWFLSA-N 2 2 345.918 2.792 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343752228 476108285 /nfs/dbraw/zinc/10/82/85/476108285.db2.gz QJLVDBBIPCPXPY-IBGZPJMESA-N 2 2 344.499 2.715 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343752228 476108288 /nfs/dbraw/zinc/10/82/88/476108288.db2.gz QJLVDBBIPCPXPY-IBGZPJMESA-N 2 2 344.499 2.715 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000368535997 476355355 /nfs/dbraw/zinc/35/53/55/476355355.db2.gz CEARBTCMPFICDB-HNJRGHQBSA-N 2 2 329.488 2.863 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000368535997 476355358 /nfs/dbraw/zinc/35/53/58/476355358.db2.gz CEARBTCMPFICDB-HNJRGHQBSA-N 2 2 329.488 2.863 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430799 476480082 /nfs/dbraw/zinc/48/00/82/476480082.db2.gz UMNBARIQABFWDZ-GUDVDZBRSA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430799 476480087 /nfs/dbraw/zinc/48/00/87/476480087.db2.gz UMNBARIQABFWDZ-GUDVDZBRSA-N 2 2 332.875 2.875 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981434 476877432 /nfs/dbraw/zinc/87/74/32/476877432.db2.gz SURFNCYAELCFKN-CTNGQTDRSA-N 3 2 341.499 2.872 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981437 476877813 /nfs/dbraw/zinc/87/78/13/476877813.db2.gz SURFNCYAELCFKN-TZIWHRDSSA-N 3 2 341.499 2.872 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430625833 476883880 /nfs/dbraw/zinc/88/38/80/476883880.db2.gz LIWPRJXDRFHBIR-HOTGVXAUSA-N 2 2 335.517 2.583 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430625833 476883884 /nfs/dbraw/zinc/88/38/84/476883884.db2.gz LIWPRJXDRFHBIR-HOTGVXAUSA-N 2 2 335.517 2.583 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000423277205 476982155 /nfs/dbraw/zinc/98/21/55/476982155.db2.gz NXBMVOCICJSHOR-UYAOXDASSA-N 3 2 326.488 2.630 20 30 EFEDLP C=CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376344469 477292623 /nfs/dbraw/zinc/29/26/23/477292623.db2.gz RFDKCLQEHIVRFH-KRWDZBQOSA-N 2 2 336.524 2.591 20 30 EFEDLP C=CCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376344469 477292633 /nfs/dbraw/zinc/29/26/33/477292633.db2.gz RFDKCLQEHIVRFH-KRWDZBQOSA-N 2 2 336.524 2.591 20 30 EFEDLP Cn1cc(C[NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cc1C#N ZINC000377210679 477695354 /nfs/dbraw/zinc/69/53/54/477695354.db2.gz VYZFPNWVJUMGQE-UHFFFAOYSA-N 2 2 344.503 2.800 20 30 EFEDLP Cn1cc(C[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cc1C#N ZINC000377210679 477695360 /nfs/dbraw/zinc/69/53/60/477695360.db2.gz VYZFPNWVJUMGQE-UHFFFAOYSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420367163 477725994 /nfs/dbraw/zinc/72/59/94/477725994.db2.gz MQUUENUWVXFYHU-HBUWYVDXSA-N 2 2 333.501 2.879 20 30 EFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCN(c2cnccn2)CC1)C(C)C ZINC000531685289 477909795 /nfs/dbraw/zinc/90/97/95/477909795.db2.gz JEHOKODCSQCOCU-IBGZPJMESA-N 2 2 343.519 2.734 20 30 EFEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000532746155 477981550 /nfs/dbraw/zinc/98/15/50/477981550.db2.gz BBEMKURBYFSOBF-LJQANCHMSA-N 2 2 345.918 2.792 20 30 EFEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000532746155 477981555 /nfs/dbraw/zinc/98/15/55/477981555.db2.gz BBEMKURBYFSOBF-LJQANCHMSA-N 2 2 345.918 2.792 20 30 EFEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000533865430 478116342 /nfs/dbraw/zinc/11/63/42/478116342.db2.gz NGQGOAWRCDWNJP-INIZCTEOSA-N 2 2 326.444 2.697 20 30 EFEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000533865430 478116349 /nfs/dbraw/zinc/11/63/49/478116349.db2.gz NGQGOAWRCDWNJP-INIZCTEOSA-N 2 2 326.444 2.697 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000495666189 478260031 /nfs/dbraw/zinc/26/00/31/478260031.db2.gz AGMWBADERKHWCJ-UHFFFAOYSA-N 2 2 335.492 2.626 20 30 EFEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000581111147 478373702 /nfs/dbraw/zinc/37/37/02/478373702.db2.gz BWCDZPWJEXUUPD-ICSRJNTNSA-N 2 2 345.487 2.722 20 30 EFEDLP Cc1ncncc1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594507445 478418256 /nfs/dbraw/zinc/41/82/56/478418256.db2.gz NLKRWIWIYLVGAR-MRXNPFEDSA-N 2 2 335.455 2.972 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349511 478422461 /nfs/dbraw/zinc/42/24/61/478422461.db2.gz IQHQYNADEWCJLH-XOQVMUHJSA-N 2 2 340.471 2.716 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349511 478422463 /nfs/dbraw/zinc/42/24/63/478422463.db2.gz IQHQYNADEWCJLH-XOQVMUHJSA-N 2 2 340.471 2.716 20 30 EFEDLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc2)CC1 ZINC000539929736 478450645 /nfs/dbraw/zinc/45/06/45/478450645.db2.gz DACGXRWROZRDEI-LJQANCHMSA-N 2 2 340.496 2.698 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000591763869 478623183 /nfs/dbraw/zinc/62/31/83/478623183.db2.gz ORXNRIHTJOBHBL-PZJWPPBQSA-N 2 2 335.451 2.628 20 30 EFEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000591763869 478623190 /nfs/dbraw/zinc/62/31/90/478623190.db2.gz ORXNRIHTJOBHBL-PZJWPPBQSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056027 478643800 /nfs/dbraw/zinc/64/38/00/478643800.db2.gz PFPIPKLRCRCHRS-DYESRHJHSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056027 478643804 /nfs/dbraw/zinc/64/38/04/478643804.db2.gz PFPIPKLRCRCHRS-DYESRHJHSA-N 2 2 334.467 2.996 20 30 EFEDLP C#CC[NH+]1CCC(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CC1 ZINC000491761004 478666515 /nfs/dbraw/zinc/66/65/15/478666515.db2.gz UBHMDYKRRGOHGK-UHFFFAOYSA-N 2 2 333.395 2.735 20 30 EFEDLP C=CC[N@@H+](Cc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496664209 478680650 /nfs/dbraw/zinc/68/06/50/478680650.db2.gz UBNVFADRBQBVIJ-FQEVSTJZSA-N 2 2 341.455 2.549 20 30 EFEDLP C=CC[N@H+](Cc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496664209 478680658 /nfs/dbraw/zinc/68/06/58/478680658.db2.gz UBNVFADRBQBVIJ-FQEVSTJZSA-N 2 2 341.455 2.549 20 30 EFEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595288342 478715470 /nfs/dbraw/zinc/71/54/70/478715470.db2.gz ZAMURZBLGROTIJ-KDURUIRLSA-N 2 2 340.515 2.654 20 30 EFEDLP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595288342 478715477 /nfs/dbraw/zinc/71/54/77/478715477.db2.gz ZAMURZBLGROTIJ-KDURUIRLSA-N 2 2 340.515 2.654 20 30 EFEDLP N#CCOc1ccc(/C=C\C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)cc1 ZINC000491893556 478727817 /nfs/dbraw/zinc/72/78/17/478727817.db2.gz PPURWZBKHIXTCW-UTCJRWHESA-N 2 2 345.362 2.822 20 30 EFEDLP COc1ccccc1[C@@H](CNc1cc(C)[nH+]cc1C#N)[NH+]1CCCC1 ZINC000564877118 478842942 /nfs/dbraw/zinc/84/29/42/478842942.db2.gz URPMKOKUSIPTLP-LJQANCHMSA-N 2 2 336.439 2.941 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](CC#N)C3)c2cc1C ZINC000595617268 478890435 /nfs/dbraw/zinc/89/04/35/478890435.db2.gz XMFAUODQYTXTAX-DLBZAZTESA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](CC#N)C3)c2cc1C ZINC000595617268 478890442 /nfs/dbraw/zinc/89/04/42/478890442.db2.gz XMFAUODQYTXTAX-DLBZAZTESA-N 2 2 326.444 2.640 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614176 478926703 /nfs/dbraw/zinc/92/67/03/478926703.db2.gz BIBOGZICTGPEBC-DOTOQJQBSA-N 2 2 330.476 2.700 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614176 478926712 /nfs/dbraw/zinc/92/67/12/478926712.db2.gz BIBOGZICTGPEBC-DOTOQJQBSA-N 2 2 330.476 2.700 20 30 EFEDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725043 478991843 /nfs/dbraw/zinc/99/18/43/478991843.db2.gz UGKAVJVUFUTJQP-OALUTQOASA-N 2 2 329.488 2.787 20 30 EFEDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725043 478991850 /nfs/dbraw/zinc/99/18/50/478991850.db2.gz UGKAVJVUFUTJQP-OALUTQOASA-N 2 2 329.488 2.787 20 30 EFEDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725042 478992197 /nfs/dbraw/zinc/99/21/97/478992197.db2.gz UGKAVJVUFUTJQP-MOPGFXCFSA-N 2 2 329.488 2.787 20 30 EFEDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725042 478992208 /nfs/dbraw/zinc/99/22/08/478992208.db2.gz UGKAVJVUFUTJQP-MOPGFXCFSA-N 2 2 329.488 2.787 20 30 EFEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725045 478993150 /nfs/dbraw/zinc/99/31/50/478993150.db2.gz UGKAVJVUFUTJQP-RTBURBONSA-N 2 2 329.488 2.787 20 30 EFEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725045 478993156 /nfs/dbraw/zinc/99/31/56/478993156.db2.gz UGKAVJVUFUTJQP-RTBURBONSA-N 2 2 329.488 2.787 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)C[C@H](C)O1 ZINC000548788358 479128974 /nfs/dbraw/zinc/12/89/74/479128974.db2.gz NPZQDJBXTYTGDP-QKLQHJQFSA-N 2 2 340.471 2.829 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)C[C@H](C)O1 ZINC000548788358 479128979 /nfs/dbraw/zinc/12/89/79/479128979.db2.gz NPZQDJBXTYTGDP-QKLQHJQFSA-N 2 2 340.471 2.829 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)C[C@H](C)O1 ZINC000548788355 479129478 /nfs/dbraw/zinc/12/94/78/479129478.db2.gz NPZQDJBXTYTGDP-FUHIMQAGSA-N 2 2 340.471 2.829 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)C[C@H](C)O1 ZINC000548788355 479129481 /nfs/dbraw/zinc/12/94/81/479129481.db2.gz NPZQDJBXTYTGDP-FUHIMQAGSA-N 2 2 340.471 2.829 20 30 EFEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303391 479144278 /nfs/dbraw/zinc/14/42/78/479144278.db2.gz BQKUBVQZBOOVNR-SJLPKXTDSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303391 479144284 /nfs/dbraw/zinc/14/42/84/479144284.db2.gz BQKUBVQZBOOVNR-SJLPKXTDSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303391 479144290 /nfs/dbraw/zinc/14/42/90/479144290.db2.gz BQKUBVQZBOOVNR-SJLPKXTDSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303391 479144295 /nfs/dbraw/zinc/14/42/95/479144295.db2.gz BQKUBVQZBOOVNR-SJLPKXTDSA-N 2 2 347.528 2.597 20 30 EFEDLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322626 479295236 /nfs/dbraw/zinc/29/52/36/479295236.db2.gz OGRMXBDVQJRVPD-OXJNMPFZSA-N 3 2 326.488 2.643 20 30 EFEDLP N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718675 479315269 /nfs/dbraw/zinc/31/52/69/479315269.db2.gz SQALAMZLRFYPMO-IBGZPJMESA-N 2 2 343.471 2.514 20 30 EFEDLP N#Cc1cccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718675 479315275 /nfs/dbraw/zinc/31/52/75/479315275.db2.gz SQALAMZLRFYPMO-IBGZPJMESA-N 2 2 343.471 2.514 20 30 EFEDLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514923 479372889 /nfs/dbraw/zinc/37/28/89/479372889.db2.gz GWFUMAYBRRQCLJ-UHFFFAOYSA-N 2 2 345.450 2.943 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc(C#N)n3)CC2)c1 ZINC000602506144 479373723 /nfs/dbraw/zinc/37/37/23/479373723.db2.gz IBDZZYHCKHYCOG-UHFFFAOYSA-N 2 2 349.482 2.564 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc(NC4CC4)[nH+]cn3)CC2)c1 ZINC000593517745 479374184 /nfs/dbraw/zinc/37/41/84/479374184.db2.gz NNSHMKBGBQXCDD-UHFFFAOYSA-N 2 2 348.454 2.999 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc(NC4CC4)nc[nH+]3)CC2)c1 ZINC000593517745 479374193 /nfs/dbraw/zinc/37/41/93/479374193.db2.gz NNSHMKBGBQXCDD-UHFFFAOYSA-N 2 2 348.454 2.999 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611518273 479402232 /nfs/dbraw/zinc/40/22/32/479402232.db2.gz PAMWYGMCMYUWFH-IBGZPJMESA-N 2 2 346.438 2.992 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611518273 479402238 /nfs/dbraw/zinc/40/22/38/479402238.db2.gz PAMWYGMCMYUWFH-IBGZPJMESA-N 2 2 346.438 2.992 20 30 EFEDLP C[C@H](CCC#N)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000602586405 479411819 /nfs/dbraw/zinc/41/18/19/479411819.db2.gz BKJYZFIQOZAESW-OAHLLOKOSA-N 2 2 341.459 2.789 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552037 479411983 /nfs/dbraw/zinc/41/19/83/479411983.db2.gz ZYNSLVHLMYRLPG-VQTJNVASSA-N 2 2 344.478 2.882 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552037 479411991 /nfs/dbraw/zinc/41/19/91/479411991.db2.gz ZYNSLVHLMYRLPG-VQTJNVASSA-N 2 2 344.478 2.882 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552038 479412092 /nfs/dbraw/zinc/41/20/92/479412092.db2.gz ZYNSLVHLMYRLPG-WOJBJXKFSA-N 2 2 344.478 2.882 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552038 479412098 /nfs/dbraw/zinc/41/20/98/479412098.db2.gz ZYNSLVHLMYRLPG-WOJBJXKFSA-N 2 2 344.478 2.882 20 30 EFEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552669 479412108 /nfs/dbraw/zinc/41/21/08/479412108.db2.gz IAKCTTUALUFGBH-IBGZPJMESA-N 2 2 341.434 2.603 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552036 479412699 /nfs/dbraw/zinc/41/26/99/479412699.db2.gz ZYNSLVHLMYRLPG-UXHICEINSA-N 2 2 344.478 2.882 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552036 479412703 /nfs/dbraw/zinc/41/27/03/479412703.db2.gz ZYNSLVHLMYRLPG-UXHICEINSA-N 2 2 344.478 2.882 20 30 EFEDLP C[C@H]1C[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000593693318 479425301 /nfs/dbraw/zinc/42/53/01/479425301.db2.gz UHTHXPWSKLGUKF-JXFKEZNVSA-N 2 2 338.499 2.737 20 30 EFEDLP C[C@H]1C[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000593693318 479425307 /nfs/dbraw/zinc/42/53/07/479425307.db2.gz UHTHXPWSKLGUKF-JXFKEZNVSA-N 2 2 338.499 2.737 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc4ccccn34)CC2)c1 ZINC000593692736 479425318 /nfs/dbraw/zinc/42/53/18/479425318.db2.gz JCBCXNMATBXORA-UHFFFAOYSA-N 2 2 345.450 2.960 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691889 479425540 /nfs/dbraw/zinc/42/55/40/479425540.db2.gz TUYDMHZESSTDQM-RTWAWAEBSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691889 479425543 /nfs/dbraw/zinc/42/55/43/479425543.db2.gz TUYDMHZESSTDQM-RTWAWAEBSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691890 479425779 /nfs/dbraw/zinc/42/57/79/479425779.db2.gz TUYDMHZESSTDQM-SFTDATJTSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691890 479425782 /nfs/dbraw/zinc/42/57/82/479425782.db2.gz TUYDMHZESSTDQM-SFTDATJTSA-N 3 2 338.499 2.739 20 30 EFEDLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593723533 479435588 /nfs/dbraw/zinc/43/55/88/479435588.db2.gz XIGKZGOHCUVDHY-OAHLLOKOSA-N 2 2 337.471 2.915 20 30 EFEDLP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593725643 479435619 /nfs/dbraw/zinc/43/56/19/479435619.db2.gz ORICXFSVEAILNB-INIZCTEOSA-N 2 2 335.455 2.533 20 30 EFEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)CC3(C#N)CCOCC3)cn21 ZINC000602699944 479486015 /nfs/dbraw/zinc/48/60/15/479486015.db2.gz PRKHCISSFDLWBD-HNNXBMFYSA-N 2 2 326.444 2.874 20 30 EFEDLP Cc1nc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687902 479559579 /nfs/dbraw/zinc/55/95/79/479559579.db2.gz FCGLFCRUUVVLAJ-MRXNPFEDSA-N 2 2 347.894 2.520 20 30 EFEDLP Cc1nc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)cc1C#N ZINC000589687902 479559585 /nfs/dbraw/zinc/55/95/85/479559585.db2.gz FCGLFCRUUVVLAJ-MRXNPFEDSA-N 2 2 347.894 2.520 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000610368785 480291809 /nfs/dbraw/zinc/29/18/09/480291809.db2.gz OMZIVJNUVYBLHS-MRXNPFEDSA-N 2 2 334.383 2.642 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000610368785 480291817 /nfs/dbraw/zinc/29/18/17/480291817.db2.gz OMZIVJNUVYBLHS-MRXNPFEDSA-N 2 2 334.383 2.642 20 30 EFEDLP C=CCOc1c(Br)cc(C[N@H+](CC)CC[NH3+])cc1OC ZINC000629655302 480344812 /nfs/dbraw/zinc/34/48/12/480344812.db2.gz VBIJHBQIARUHKP-UHFFFAOYSA-N 2 2 343.265 2.803 20 30 EFEDLP C=CCOc1c(Br)cc(C[N@@H+](CC)CC[NH3+])cc1OC ZINC000629655302 480344815 /nfs/dbraw/zinc/34/48/15/480344815.db2.gz VBIJHBQIARUHKP-UHFFFAOYSA-N 2 2 343.265 2.803 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C[NH2+]C)cc1OC ZINC000663507555 482270603 /nfs/dbraw/zinc/27/06/03/482270603.db2.gz RIXBKGHEDRFJQH-NSHDSACASA-N 2 2 343.265 2.720 20 30 EFEDLP C=CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239021 482386574 /nfs/dbraw/zinc/38/65/74/482386574.db2.gz BUVQQFPSVZIIBH-UYAOXDASSA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239021 482386579 /nfs/dbraw/zinc/38/65/79/482386579.db2.gz BUVQQFPSVZIIBH-UYAOXDASSA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239021 482386586 /nfs/dbraw/zinc/38/65/86/482386586.db2.gz BUVQQFPSVZIIBH-UYAOXDASSA-N 2 2 332.488 2.800 20 30 EFEDLP Cc1noc(C)c1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181723747 534348380 /nfs/dbraw/zinc/34/83/80/534348380.db2.gz MNDVCNLTYRZBOJ-UHFFFAOYSA-N 2 2 338.455 2.960 20 30 EFEDLP C=C(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000358503921 534389230 /nfs/dbraw/zinc/38/92/30/534389230.db2.gz FGXOBCUXRSNUMI-LJQANCHMSA-N 2 2 328.504 2.882 20 30 EFEDLP C=C(CC)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000358503921 534389233 /nfs/dbraw/zinc/38/92/33/534389233.db2.gz FGXOBCUXRSNUMI-LJQANCHMSA-N 2 2 328.504 2.882 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245722073 522044753 /nfs/dbraw/zinc/04/47/53/522044753.db2.gz UWIURBDQYJNQKU-NVXWUHKLSA-N 2 2 340.427 2.725 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245722073 522044763 /nfs/dbraw/zinc/04/47/63/522044763.db2.gz UWIURBDQYJNQKU-NVXWUHKLSA-N 2 2 340.427 2.725 20 30 EFEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158535 522927758 /nfs/dbraw/zinc/92/77/58/522927758.db2.gz NGLZRWRELUMLRZ-JKSUJKDBSA-N 2 2 346.500 2.531 20 30 EFEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158535 522927770 /nfs/dbraw/zinc/92/77/70/522927770.db2.gz NGLZRWRELUMLRZ-JKSUJKDBSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158535 522927776 /nfs/dbraw/zinc/92/77/76/522927776.db2.gz NGLZRWRELUMLRZ-JKSUJKDBSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158535 522927783 /nfs/dbraw/zinc/92/77/83/522927783.db2.gz NGLZRWRELUMLRZ-JKSUJKDBSA-N 2 2 346.500 2.531 20 30 EFEDLP C=CC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414739886 534833022 /nfs/dbraw/zinc/83/30/22/534833022.db2.gz KRQYFWGZNFQFOH-HNNXBMFYSA-N 2 2 328.464 2.599 20 30 EFEDLP C=CC[N@H+](CC[NH2+]C(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414739886 534833025 /nfs/dbraw/zinc/83/30/25/534833025.db2.gz KRQYFWGZNFQFOH-HNNXBMFYSA-N 2 2 328.464 2.599 20 30 EFEDLP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159964941 526389094 /nfs/dbraw/zinc/38/90/94/526389094.db2.gz COELZODWQAHAHY-WFASDCNBSA-N 2 2 346.504 2.615 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H](O)C3)CC2)cc1 ZINC000181803703 526610020 /nfs/dbraw/zinc/61/00/20/526610020.db2.gz FFMFIICYZLFEKO-QUCCMNQESA-N 2 2 327.472 2.663 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000181183863 528668248 /nfs/dbraw/zinc/66/82/48/528668248.db2.gz AOPGMESYAPSYOB-BEFAXECRSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000181183863 528668255 /nfs/dbraw/zinc/66/82/55/528668255.db2.gz AOPGMESYAPSYOB-BEFAXECRSA-N 2 2 333.451 2.924 20 30 EFEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160944318 528808041 /nfs/dbraw/zinc/80/80/41/528808041.db2.gz QXXDTAHKBFOXBS-MRXNPFEDSA-N 2 2 341.459 2.741 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000433523573 535156075 /nfs/dbraw/zinc/15/60/75/535156075.db2.gz CMPPRAGHDBJCAO-UHFFFAOYSA-N 2 2 330.451 2.692 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000328868031 536111599 /nfs/dbraw/zinc/11/15/99/536111599.db2.gz ONZCFRJQPLWJEY-INIZCTEOSA-N 2 2 347.507 2.778 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000593691539 546378894 /nfs/dbraw/zinc/37/88/94/546378894.db2.gz BIQFNVRSCQSVIY-UHFFFAOYSA-N 2 2 347.466 2.980 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000657338242 547117942 /nfs/dbraw/zinc/11/79/42/547117942.db2.gz KKBLAZIUVKRYFZ-MRXNPFEDSA-N 2 2 345.516 2.918 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000657338242 547117945 /nfs/dbraw/zinc/11/79/45/547117945.db2.gz KKBLAZIUVKRYFZ-MRXNPFEDSA-N 2 2 345.516 2.918 20 30 EFEDLP Cc1noc(C)c1[C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000671242917 547547960 /nfs/dbraw/zinc/54/79/60/547547960.db2.gz VEMVIYCIMJXXTG-RYUDHWBXSA-N 2 2 330.432 2.901 20 30 EFEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478389 548711105 /nfs/dbraw/zinc/71/11/05/548711105.db2.gz WKUKDFLYDFUPQE-VQTJNVASSA-N 2 2 340.515 2.718 20 30 EFEDLP CCC#C[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478389 548711109 /nfs/dbraw/zinc/71/11/09/548711109.db2.gz WKUKDFLYDFUPQE-VQTJNVASSA-N 2 2 340.515 2.718 20 30 EFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000764626966 576480994 /nfs/dbraw/zinc/48/09/94/576480994.db2.gz OLQNEXYDKKEIHT-YLJYHZDGSA-N 2 2 330.472 2.706 20 30 EFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000764626966 576480998 /nfs/dbraw/zinc/48/09/98/576480998.db2.gz OLQNEXYDKKEIHT-YLJYHZDGSA-N 2 2 330.472 2.706 20 30 EFEDLP C=C(C[NH+](C)C)C(=O)N1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000764650961 576485296 /nfs/dbraw/zinc/48/52/96/576485296.db2.gz RCUHIBQRTGILEA-UHFFFAOYSA-N 2 2 340.471 2.880 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107482 577007348 /nfs/dbraw/zinc/00/73/48/577007348.db2.gz SWQPGBNAWSUBPZ-UYAOXDASSA-N 2 2 335.455 2.795 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107482 577007349 /nfs/dbraw/zinc/00/73/49/577007349.db2.gz SWQPGBNAWSUBPZ-UYAOXDASSA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107482 577007351 /nfs/dbraw/zinc/00/73/51/577007351.db2.gz SWQPGBNAWSUBPZ-UYAOXDASSA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107482 577007353 /nfs/dbraw/zinc/00/73/53/577007353.db2.gz SWQPGBNAWSUBPZ-UYAOXDASSA-N 2 2 335.455 2.795 20 30 EFEDLP Cc1ccc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000725793259 577226561 /nfs/dbraw/zinc/22/65/61/577226561.db2.gz WXHDXWUGTOPZLB-UHFFFAOYSA-N 2 2 339.439 2.664 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC000995960955 1254889752 /nfs/dbraw/zinc/88/97/52/1254889752.db2.gz RERJDBFAYLZZSH-OAHLLOKOSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996092728 1255000742 /nfs/dbraw/zinc/00/07/42/1255000742.db2.gz NLVXBJPXCPMBKE-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107441606 1255827012 /nfs/dbraw/zinc/82/70/12/1255827012.db2.gz ZOGMOLQILNRORK-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107441606 1255827025 /nfs/dbraw/zinc/82/70/25/1255827025.db2.gz ZOGMOLQILNRORK-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107441606 1255827040 /nfs/dbraw/zinc/82/70/40/1255827040.db2.gz ZOGMOLQILNRORK-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107441606 1255827048 /nfs/dbraw/zinc/82/70/48/1255827048.db2.gz ZOGMOLQILNRORK-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481364 1255934622 /nfs/dbraw/zinc/93/46/22/1255934622.db2.gz VTSHMWOJOFFAHW-YLJYHZDGSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481364 1255934629 /nfs/dbraw/zinc/93/46/29/1255934629.db2.gz VTSHMWOJOFFAHW-YLJYHZDGSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000996846118 1256256187 /nfs/dbraw/zinc/25/61/87/1256256187.db2.gz LLNLILOSILVGRW-UHFFFAOYSA-N 2 2 344.846 2.819 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622794 1256310266 /nfs/dbraw/zinc/31/02/66/1256310266.db2.gz YYVKYUZCWLYZAZ-UYAOXDASSA-N 2 2 344.503 2.680 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622794 1256310272 /nfs/dbraw/zinc/31/02/72/1256310272.db2.gz YYVKYUZCWLYZAZ-UYAOXDASSA-N 2 2 344.503 2.680 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651968 1256365699 /nfs/dbraw/zinc/36/56/99/1256365699.db2.gz RTCFDXVUUHYORV-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651968 1256365706 /nfs/dbraw/zinc/36/57/06/1256365706.db2.gz RTCFDXVUUHYORV-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997183242 1257217805 /nfs/dbraw/zinc/21/78/05/1257217805.db2.gz LKFVASAJSSPCHK-RHSMWYFYSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997183242 1257217815 /nfs/dbraw/zinc/21/78/15/1257217815.db2.gz LKFVASAJSSPCHK-RHSMWYFYSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997183240 1257217922 /nfs/dbraw/zinc/21/79/22/1257217922.db2.gz LKFVASAJSSPCHK-PBHICJAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997183240 1257217926 /nfs/dbraw/zinc/21/79/26/1257217926.db2.gz LKFVASAJSSPCHK-PBHICJAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)Cn1cc[nH+]c1 ZINC000921608351 1257526697 /nfs/dbraw/zinc/52/66/97/1257526697.db2.gz FLDZSBDRYDHKMJ-LBPRGKRZSA-N 2 2 333.233 2.943 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997630490 1258133784 /nfs/dbraw/zinc/13/37/84/1258133784.db2.gz NLQAAYIXOZZZBO-USXIJHARSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000997630490 1258133792 /nfs/dbraw/zinc/13/37/92/1258133792.db2.gz NLQAAYIXOZZZBO-USXIJHARSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997644649 1258155285 /nfs/dbraw/zinc/15/52/85/1258155285.db2.gz SYOHAHDVDFKLCJ-AWEZNQCLSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997648941 1258166786 /nfs/dbraw/zinc/16/67/86/1258166786.db2.gz LKFVASAJSSPCHK-WMLDXEAASA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997648941 1258166789 /nfs/dbraw/zinc/16/67/89/1258166789.db2.gz LKFVASAJSSPCHK-WMLDXEAASA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997672954 1258208282 /nfs/dbraw/zinc/20/82/82/1258208282.db2.gz JQRMBIPWQIFFOJ-HNNXBMFYSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997815965 1258486382 /nfs/dbraw/zinc/48/63/82/1258486382.db2.gz FGCCRODAYUXYFP-INIZCTEOSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001004202549 1266209148 /nfs/dbraw/zinc/20/91/48/1266209148.db2.gz COWOAHQXGGBVQF-UHFFFAOYSA-N 2 2 335.879 2.695 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054277 1259038774 /nfs/dbraw/zinc/03/87/74/1259038774.db2.gz WNXWNGFGNCGZMW-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054277 1259038781 /nfs/dbraw/zinc/03/87/81/1259038781.db2.gz WNXWNGFGNCGZMW-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054279 1259038937 /nfs/dbraw/zinc/03/89/37/1259038937.db2.gz WNXWNGFGNCGZMW-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054279 1259038944 /nfs/dbraw/zinc/03/89/44/1259038944.db2.gz WNXWNGFGNCGZMW-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001268437 1262038011 /nfs/dbraw/zinc/03/80/11/1262038011.db2.gz GPSBYLYBJFTKRE-UHFFFAOYSA-N 2 2 347.890 2.863 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001268437 1262038020 /nfs/dbraw/zinc/03/80/20/1262038020.db2.gz GPSBYLYBJFTKRE-UHFFFAOYSA-N 2 2 347.890 2.863 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001078655865 1262107852 /nfs/dbraw/zinc/10/78/52/1262107852.db2.gz BCMLZYJDUSKTJI-HZPDHXFCSA-N 2 2 330.476 2.520 20 30 EFEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001078655864 1262107932 /nfs/dbraw/zinc/10/79/32/1262107932.db2.gz BCMLZYJDUSKTJI-HOTGVXAUSA-N 2 2 330.476 2.520 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078661733 1262117183 /nfs/dbraw/zinc/11/71/83/1262117183.db2.gz WQQGGSSFSCPNOH-CVEARBPZSA-N 2 2 344.846 2.946 20 30 EFEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001078688572 1262209733 /nfs/dbraw/zinc/20/97/33/1262209733.db2.gz RRJYGYVABPPEPU-ROUUACIJSA-N 2 2 336.439 2.689 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553801 1264021434 /nfs/dbraw/zinc/02/14/34/1264021434.db2.gz ZUKMFBDIEUIXMR-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553801 1264021444 /nfs/dbraw/zinc/02/14/44/1264021444.db2.gz ZUKMFBDIEUIXMR-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP N#Cc1ccc(Br)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000922016800 1264129081 /nfs/dbraw/zinc/12/90/81/1264129081.db2.gz ILLFPTSDSLMVRO-ZDUSSCGKSA-N 2 2 331.217 2.622 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045933 1265019474 /nfs/dbraw/zinc/01/94/74/1265019474.db2.gz PUWSGUJFOYDFEO-XHSDSOJGSA-N 2 2 336.867 2.510 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045933 1265019482 /nfs/dbraw/zinc/01/94/82/1265019482.db2.gz PUWSGUJFOYDFEO-XHSDSOJGSA-N 2 2 336.867 2.510 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101015 1265142371 /nfs/dbraw/zinc/14/23/71/1265142371.db2.gz POPQMECVKSUFIS-IKGGRYGDSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101015 1265142373 /nfs/dbraw/zinc/14/23/73/1265142373.db2.gz POPQMECVKSUFIS-IKGGRYGDSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101015 1265142376 /nfs/dbraw/zinc/14/23/76/1265142376.db2.gz POPQMECVKSUFIS-IKGGRYGDSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101015 1265142380 /nfs/dbraw/zinc/14/23/80/1265142380.db2.gz POPQMECVKSUFIS-IKGGRYGDSA-N 2 2 339.911 2.536 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424347 1266968739 /nfs/dbraw/zinc/96/87/39/1266968739.db2.gz HPWNSTQEQQHILI-KRWDZBQOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424347 1266968749 /nfs/dbraw/zinc/96/87/49/1266968749.db2.gz HPWNSTQEQQHILI-KRWDZBQOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004501497 1267187246 /nfs/dbraw/zinc/18/72/46/1267187246.db2.gz RYDCXLXFRGXICM-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004501497 1267187252 /nfs/dbraw/zinc/18/72/52/1267187252.db2.gz RYDCXLXFRGXICM-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539930 1267280181 /nfs/dbraw/zinc/28/01/81/1267280181.db2.gz JCRQAYKIGUOGGJ-FUHWJXTLSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539930 1267280189 /nfs/dbraw/zinc/28/01/89/1267280189.db2.gz JCRQAYKIGUOGGJ-FUHWJXTLSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539929 1267281678 /nfs/dbraw/zinc/28/16/78/1267281678.db2.gz JCRQAYKIGUOGGJ-AEFFLSMTSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539929 1267281691 /nfs/dbraw/zinc/28/16/91/1267281691.db2.gz JCRQAYKIGUOGGJ-AEFFLSMTSA-N 2 2 342.487 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582355 1267331408 /nfs/dbraw/zinc/33/14/08/1267331408.db2.gz VKGPFXHNXHDEDK-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582355 1267331418 /nfs/dbraw/zinc/33/14/18/1267331418.db2.gz VKGPFXHNXHDEDK-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146809 1267354970 /nfs/dbraw/zinc/35/49/70/1267354970.db2.gz QODGVNJEBZYQNX-SJORKVTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146809 1267354984 /nfs/dbraw/zinc/35/49/84/1267354984.db2.gz QODGVNJEBZYQNX-SJORKVTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033146809 1267354998 /nfs/dbraw/zinc/35/49/98/1267354998.db2.gz QODGVNJEBZYQNX-SJORKVTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033146809 1267355012 /nfs/dbraw/zinc/35/50/12/1267355012.db2.gz QODGVNJEBZYQNX-SJORKVTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004599284 1267376221 /nfs/dbraw/zinc/37/62/21/1267376221.db2.gz ZMYOSVZWDRDXOJ-QGZVFWFLSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004599284 1267376231 /nfs/dbraw/zinc/37/62/31/1267376231.db2.gz ZMYOSVZWDRDXOJ-QGZVFWFLSA-N 2 2 344.503 2.966 20 30 EFEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688423 1267719969 /nfs/dbraw/zinc/71/99/69/1267719969.db2.gz RBEFMOXTBPCFFB-KDURUIRLSA-N 2 2 339.483 2.814 20 30 EFEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688423 1267719978 /nfs/dbraw/zinc/71/99/78/1267719978.db2.gz RBEFMOXTBPCFFB-KDURUIRLSA-N 2 2 339.483 2.814 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298067 1268708393 /nfs/dbraw/zinc/70/83/93/1268708393.db2.gz ZIXAVGPXCZNDLS-KRWDZBQOSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298067 1268708396 /nfs/dbraw/zinc/70/83/96/1268708396.db2.gz ZIXAVGPXCZNDLS-KRWDZBQOSA-N 2 2 349.906 2.690 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803623 1268738101 /nfs/dbraw/zinc/73/81/01/1268738101.db2.gz OFIXZCXMXHIQOD-OKZBNKHCSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803623 1268738114 /nfs/dbraw/zinc/73/81/14/1268738114.db2.gz OFIXZCXMXHIQOD-OKZBNKHCSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803849 1268740413 /nfs/dbraw/zinc/74/04/13/1268740413.db2.gz YJRLAGZDWFVDJY-OKZBNKHCSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803849 1268740420 /nfs/dbraw/zinc/74/04/20/1268740420.db2.gz YJRLAGZDWFVDJY-OKZBNKHCSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033468421 1269212160 /nfs/dbraw/zinc/21/21/60/1269212160.db2.gz ZHLFBNCXTALMMU-HOTGVXAUSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033468421 1269212164 /nfs/dbraw/zinc/21/21/64/1269212164.db2.gz ZHLFBNCXTALMMU-HOTGVXAUSA-N 2 2 327.900 2.536 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683889 1278509453 /nfs/dbraw/zinc/50/94/53/1278509453.db2.gz ACGIPRGSEJRKCJ-MJGOQNOKSA-N 2 2 329.488 2.788 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033828666 1270339618 /nfs/dbraw/zinc/33/96/18/1270339618.db2.gz RBHCZHVZPXYTAS-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033828666 1270339624 /nfs/dbraw/zinc/33/96/24/1270339624.db2.gz RBHCZHVZPXYTAS-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033828666 1270339628 /nfs/dbraw/zinc/33/96/28/1270339628.db2.gz RBHCZHVZPXYTAS-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033828666 1270339635 /nfs/dbraw/zinc/33/96/35/1270339635.db2.gz RBHCZHVZPXYTAS-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001411116794 1271347691 /nfs/dbraw/zinc/34/76/91/1271347691.db2.gz WMRLLNIEGRKVTH-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001411116794 1271347697 /nfs/dbraw/zinc/34/76/97/1271347697.db2.gz WMRLLNIEGRKVTH-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001411116794 1271347704 /nfs/dbraw/zinc/34/77/04/1271347704.db2.gz WMRLLNIEGRKVTH-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001411116794 1271347707 /nfs/dbraw/zinc/34/77/07/1271347707.db2.gz WMRLLNIEGRKVTH-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001411116803 1271347865 /nfs/dbraw/zinc/34/78/65/1271347865.db2.gz WMRLLNIEGRKVTH-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001411116803 1271347874 /nfs/dbraw/zinc/34/78/74/1271347874.db2.gz WMRLLNIEGRKVTH-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001411116803 1271347882 /nfs/dbraw/zinc/34/78/82/1271347882.db2.gz WMRLLNIEGRKVTH-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001411116803 1271347893 /nfs/dbraw/zinc/34/78/93/1271347893.db2.gz WMRLLNIEGRKVTH-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279108 1271547146 /nfs/dbraw/zinc/54/71/46/1271547146.db2.gz PSXBPNQZPRFIIH-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279108 1271547150 /nfs/dbraw/zinc/54/71/50/1271547150.db2.gz PSXBPNQZPRFIIH-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279108 1271547153 /nfs/dbraw/zinc/54/71/53/1271547153.db2.gz PSXBPNQZPRFIIH-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279108 1271547154 /nfs/dbraw/zinc/54/71/54/1271547154.db2.gz PSXBPNQZPRFIIH-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288167 1271568951 /nfs/dbraw/zinc/56/89/51/1271568951.db2.gz LWLMIXYVNNDAQB-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288167 1271568954 /nfs/dbraw/zinc/56/89/54/1271568954.db2.gz LWLMIXYVNNDAQB-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288167 1271568959 /nfs/dbraw/zinc/56/89/59/1271568959.db2.gz LWLMIXYVNNDAQB-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288167 1271568961 /nfs/dbraw/zinc/56/89/61/1271568961.db2.gz LWLMIXYVNNDAQB-DLBZAZTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340163 1271702173 /nfs/dbraw/zinc/70/21/73/1271702173.db2.gz LXCXZJIYSCEZML-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340163 1271702180 /nfs/dbraw/zinc/70/21/80/1271702180.db2.gz LXCXZJIYSCEZML-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034537376 1272239185 /nfs/dbraw/zinc/23/91/85/1272239185.db2.gz AXJVDEJADNHFTL-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034537376 1272239189 /nfs/dbraw/zinc/23/91/89/1272239189.db2.gz AXJVDEJADNHFTL-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537376 1272239194 /nfs/dbraw/zinc/23/91/94/1272239194.db2.gz AXJVDEJADNHFTL-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034537376 1272239198 /nfs/dbraw/zinc/23/91/98/1272239198.db2.gz AXJVDEJADNHFTL-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005609188 1272578332 /nfs/dbraw/zinc/57/83/32/1272578332.db2.gz ARGCCLXLRISXAZ-INIZCTEOSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005609188 1272578339 /nfs/dbraw/zinc/57/83/39/1272578339.db2.gz ARGCCLXLRISXAZ-INIZCTEOSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001034755301 1272864749 /nfs/dbraw/zinc/86/47/49/1272864749.db2.gz BGTHOYKDVYOLKP-QAQDUYKDSA-N 2 2 340.471 2.778 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108727276 1273414489 /nfs/dbraw/zinc/41/44/89/1273414489.db2.gz MCGQOGDOGLLBEQ-BBWFWOEESA-N 2 2 338.455 2.883 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735874 1273426610 /nfs/dbraw/zinc/42/66/10/1273426610.db2.gz NZWBFFUXUKDBKG-FHWLQOOXSA-N 2 2 344.503 2.989 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834198 1273526423 /nfs/dbraw/zinc/52/64/23/1273526423.db2.gz GERISXLMHBYXDI-KSZLIROESA-N 2 2 330.476 2.599 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]ccc1OC)CC2 ZINC001035197837 1273762026 /nfs/dbraw/zinc/76/20/26/1273762026.db2.gz WCSJUXWVXAKELT-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]ccc1OC)CC2 ZINC001035197837 1273762027 /nfs/dbraw/zinc/76/20/27/1273762027.db2.gz WCSJUXWVXAKELT-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035205198 1273783804 /nfs/dbraw/zinc/78/38/04/1273783804.db2.gz XSVPSQZJLFKXDH-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035205198 1273783808 /nfs/dbraw/zinc/78/38/08/1273783808.db2.gz XSVPSQZJLFKXDH-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222884 1273832222 /nfs/dbraw/zinc/83/22/22/1273832222.db2.gz GITBJKVGAZLSBG-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222884 1273832226 /nfs/dbraw/zinc/83/22/26/1273832226.db2.gz GITBJKVGAZLSBG-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC/C=C/CCC ZINC001109414675 1274255712 /nfs/dbraw/zinc/25/57/12/1274255712.db2.gz GDKXQPOIYCUKRT-ZVFVRTEYSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CCC ZINC001109414675 1274255719 /nfs/dbraw/zinc/25/57/19/1274255719.db2.gz GDKXQPOIYCUKRT-ZVFVRTEYSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C/CCC ZINC001109414675 1274255726 /nfs/dbraw/zinc/25/57/26/1274255726.db2.gz GDKXQPOIYCUKRT-ZVFVRTEYSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C/CCC ZINC001109414675 1274255731 /nfs/dbraw/zinc/25/57/31/1274255731.db2.gz GDKXQPOIYCUKRT-ZVFVRTEYSA-N 2 2 343.515 2.552 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001036028775 1274902263 /nfs/dbraw/zinc/90/22/63/1274902263.db2.gz FGKAXHVXRRYDIO-BLLLJJGKSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001036077065 1275036640 /nfs/dbraw/zinc/03/66/40/1275036640.db2.gz MZIPPMSHUMRBFV-IUODEOHRSA-N 2 2 338.883 2.506 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110053260 1275061330 /nfs/dbraw/zinc/06/13/30/1275061330.db2.gz CFJIEQVDUBZIBH-NEWSRXKRSA-N 2 2 344.503 2.821 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110053260 1275061339 /nfs/dbraw/zinc/06/13/39/1275061339.db2.gz CFJIEQVDUBZIBH-NEWSRXKRSA-N 2 2 344.503 2.821 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551782 1275126802 /nfs/dbraw/zinc/12/68/02/1275126802.db2.gz PYQYMGKATLDCCN-GJYPPUQNSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001036227086 1275256659 /nfs/dbraw/zinc/25/66/59/1275256659.db2.gz ZAPSCIRGNTYNDC-FUHWJXTLSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001036306617 1275427032 /nfs/dbraw/zinc/42/70/32/1275427032.db2.gz XYTKSFVBVDFFNH-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001036306617 1275427036 /nfs/dbraw/zinc/42/70/36/1275427036.db2.gz XYTKSFVBVDFFNH-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001112868730 1276155597 /nfs/dbraw/zinc/15/55/97/1276155597.db2.gz XHXDCVUNZRNKAK-UHFFFAOYSA-N 2 2 346.519 2.877 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001113167428 1277163339 /nfs/dbraw/zinc/16/33/39/1277163339.db2.gz LZPKAPDMYJQCCH-QGZVFWFLSA-N 2 2 338.455 2.985 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001171211591 1280022658 /nfs/dbraw/zinc/02/26/58/1280022658.db2.gz FKDCPQGGLQVQOI-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001171211591 1280022666 /nfs/dbraw/zinc/02/26/66/1280022666.db2.gz FKDCPQGGLQVQOI-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001171211591 1280022677 /nfs/dbraw/zinc/02/26/77/1280022677.db2.gz FKDCPQGGLQVQOI-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001171211591 1280022682 /nfs/dbraw/zinc/02/26/82/1280022682.db2.gz FKDCPQGGLQVQOI-YHYVQYDKSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001171212913 1280030473 /nfs/dbraw/zinc/03/04/73/1280030473.db2.gz ROVJWOONHSPLDP-QMMLZNLJSA-N 2 2 346.478 2.948 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560382 1280941284 /nfs/dbraw/zinc/94/12/84/1280941284.db2.gz AFULUMDSNRCYQU-CVEARBPZSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560382 1280941289 /nfs/dbraw/zinc/94/12/89/1280941289.db2.gz AFULUMDSNRCYQU-CVEARBPZSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682246 1281235185 /nfs/dbraw/zinc/23/51/85/1281235185.db2.gz KOEMHCOQZSRGLO-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682246 1281235193 /nfs/dbraw/zinc/23/51/93/1281235193.db2.gz KOEMHCOQZSRGLO-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682246 1281235201 /nfs/dbraw/zinc/23/52/01/1281235201.db2.gz KOEMHCOQZSRGLO-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682246 1281235209 /nfs/dbraw/zinc/23/52/09/1281235209.db2.gz KOEMHCOQZSRGLO-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767871 1281254941 /nfs/dbraw/zinc/25/49/41/1281254941.db2.gz SRKVIEQWIMBBQV-QGZVFWFLSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767871 1281254949 /nfs/dbraw/zinc/25/49/49/1281254949.db2.gz SRKVIEQWIMBBQV-QGZVFWFLSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001147883671 1281340023 /nfs/dbraw/zinc/34/00/23/1281340023.db2.gz XNFDQHHNRVISGL-MRXNPFEDSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001147883671 1281340029 /nfs/dbraw/zinc/34/00/29/1281340029.db2.gz XNFDQHHNRVISGL-MRXNPFEDSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043094 1287510854 /nfs/dbraw/zinc/51/08/54/1287510854.db2.gz GSLBLNKUCGZFSM-HOCLYGCPSA-N 2 2 333.476 2.696 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001086927523 1281928549 /nfs/dbraw/zinc/92/85/49/1281928549.db2.gz DULUSFHVEPAFSR-BRWVUGGUSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001086927523 1281928559 /nfs/dbraw/zinc/92/85/59/1281928559.db2.gz DULUSFHVEPAFSR-BRWVUGGUSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926274 1281946303 /nfs/dbraw/zinc/94/63/03/1281946303.db2.gz TZAAQGASHGWMIS-INIZCTEOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926274 1281946315 /nfs/dbraw/zinc/94/63/15/1281946315.db2.gz TZAAQGASHGWMIS-INIZCTEOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935213 1281956431 /nfs/dbraw/zinc/95/64/31/1281956431.db2.gz LPLJGVNZKGSKHL-QGZVFWFLSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945521 1281979213 /nfs/dbraw/zinc/97/92/13/1281979213.db2.gz CWGAQRHMCJIQMQ-INIZCTEOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001086928190 1281991711 /nfs/dbraw/zinc/99/17/11/1281991711.db2.gz XPBMJFHTOLNUBH-GVDBMIGSSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001086928190 1281991718 /nfs/dbraw/zinc/99/17/18/1281991718.db2.gz XPBMJFHTOLNUBH-GVDBMIGSSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955286 1282023808 /nfs/dbraw/zinc/02/38/08/1282023808.db2.gz JMOKOPIIRVQNHO-QGZVFWFLSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211684 1283140323 /nfs/dbraw/zinc/14/03/23/1283140323.db2.gz QGQGPQYJLVESNV-CVEARBPZSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211684 1283140326 /nfs/dbraw/zinc/14/03/26/1283140326.db2.gz QGQGPQYJLVESNV-CVEARBPZSA-N 2 2 341.927 2.973 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222026 1283167203 /nfs/dbraw/zinc/16/72/03/1283167203.db2.gz RWAVBOUUCXEAQI-QZTJIDSGSA-N 2 2 332.492 2.989 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222026 1283167213 /nfs/dbraw/zinc/16/72/13/1283167213.db2.gz RWAVBOUUCXEAQI-QZTJIDSGSA-N 2 2 332.492 2.989 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036748339 1283394563 /nfs/dbraw/zinc/39/45/63/1283394563.db2.gz BRNOWCBPJWCPNS-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036748339 1283394571 /nfs/dbraw/zinc/39/45/71/1283394571.db2.gz BRNOWCBPJWCPNS-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751100 1283404447 /nfs/dbraw/zinc/40/44/47/1283404447.db2.gz YCJLUQMKOLZKJI-DYVFJYSZSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751100 1283404452 /nfs/dbraw/zinc/40/44/52/1283404452.db2.gz YCJLUQMKOLZKJI-DYVFJYSZSA-N 2 2 344.846 2.852 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423493 1283522351 /nfs/dbraw/zinc/52/23/51/1283522351.db2.gz AAMOQDASZIONOI-SJORKVTESA-N 2 2 334.508 2.902 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423493 1283522355 /nfs/dbraw/zinc/52/23/55/1283522355.db2.gz AAMOQDASZIONOI-SJORKVTESA-N 2 2 334.508 2.902 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771599 1283547508 /nfs/dbraw/zinc/54/75/08/1283547508.db2.gz JWMJZRLYRWVQGP-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771599 1283547514 /nfs/dbraw/zinc/54/75/14/1283547514.db2.gz JWMJZRLYRWVQGP-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782399 1283630653 /nfs/dbraw/zinc/63/06/53/1283630653.db2.gz JBDQGMNRUKHWBT-HKUYNNGSSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC001036782399 1283630671 /nfs/dbraw/zinc/63/06/71/1283630671.db2.gz JBDQGMNRUKHWBT-HKUYNNGSSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548841 1283910033 /nfs/dbraw/zinc/91/00/33/1283910033.db2.gz KHWKQFJZEZYFRY-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548841 1283910043 /nfs/dbraw/zinc/91/00/43/1283910043.db2.gz KHWKQFJZEZYFRY-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176143357 1287700779 /nfs/dbraw/zinc/70/07/79/1287700779.db2.gz BXHUOSRUMIDJEI-INIZCTEOSA-N 2 2 341.459 2.722 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919170 1284466861 /nfs/dbraw/zinc/46/68/61/1284466861.db2.gz FCJFSCJPCBPXOO-WBVHZDCISA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919807 1284467202 /nfs/dbraw/zinc/46/72/02/1284467202.db2.gz NGXYTHLMKWYHGZ-GOEBONIOSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982171 1284568770 /nfs/dbraw/zinc/56/87/70/1284568770.db2.gz MIJXKKDNSMVAIE-CVEARBPZSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001133012853 1284655928 /nfs/dbraw/zinc/65/59/28/1284655928.db2.gz VGGNCPHODIXWOD-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001094439314 1285102067 /nfs/dbraw/zinc/10/20/67/1285102067.db2.gz DADGAOPQWIVAQF-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001094439314 1285102090 /nfs/dbraw/zinc/10/20/90/1285102090.db2.gz DADGAOPQWIVAQF-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001094439314 1285102107 /nfs/dbraw/zinc/10/21/07/1285102107.db2.gz DADGAOPQWIVAQF-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001094439314 1285102114 /nfs/dbraw/zinc/10/21/14/1285102114.db2.gz DADGAOPQWIVAQF-QQTQMKHKSA-N 2 2 342.487 2.840 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133355220 1285250164 /nfs/dbraw/zinc/25/01/64/1285250164.db2.gz WMCPJZOQFPNMKD-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001133405940 1285359960 /nfs/dbraw/zinc/35/99/60/1285359960.db2.gz XZKKLFJOOSBZCT-UHFFFAOYSA-N 2 2 346.862 2.800 20 30 EFEDLP C#CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000812757410 1285403719 /nfs/dbraw/zinc/40/37/19/1285403719.db2.gz FQBXNRGNVUKBIZ-LJQANCHMSA-N 2 2 328.456 2.758 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171576552 1285656490 /nfs/dbraw/zinc/65/64/90/1285656490.db2.gz BKQPMKHDDRJXCG-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179009598 1289021516 /nfs/dbraw/zinc/02/15/16/1289021516.db2.gz MHQMWVQQXDGDOE-SCTDSRPQSA-N 2 2 344.503 2.771 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603567 1285671917 /nfs/dbraw/zinc/67/19/17/1285671917.db2.gz BJRPHHPHFAKUMJ-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896881 1285884463 /nfs/dbraw/zinc/88/44/63/1285884463.db2.gz WNWJNSDKDVMCBM-IRXDYDNUSA-N 2 2 334.508 2.972 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171976007 1285959758 /nfs/dbraw/zinc/95/97/58/1285959758.db2.gz HJRMNWMVNPOOOR-SZMVWBNQSA-N 2 2 347.503 2.939 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171976007 1285959763 /nfs/dbraw/zinc/95/97/63/1285959763.db2.gz HJRMNWMVNPOOOR-SZMVWBNQSA-N 2 2 347.503 2.939 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171976004 1285960079 /nfs/dbraw/zinc/96/00/79/1285960079.db2.gz HJRMNWMVNPOOOR-JQHSSLGASA-N 2 2 347.503 2.939 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171976004 1285960081 /nfs/dbraw/zinc/96/00/81/1285960081.db2.gz HJRMNWMVNPOOOR-JQHSSLGASA-N 2 2 347.503 2.939 20 30 EFEDLP C[C@@H](CCCC#N)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001172476360 1286142286 /nfs/dbraw/zinc/14/22/86/1286142286.db2.gz KFGGGLSIWCGABD-KRWDZBQOSA-N 2 2 331.460 2.570 20 30 EFEDLP C=CCOC1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001173322109 1286526638 /nfs/dbraw/zinc/52/66/38/1286526638.db2.gz ZKMQIHVGXHASPZ-IGBVOLGGSA-N 2 2 341.499 2.959 20 30 EFEDLP C=CCOC1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173322110 1286527319 /nfs/dbraw/zinc/52/73/19/1286527319.db2.gz ZKMQIHVGXHASPZ-KHQYNDFOSA-N 2 2 341.499 2.959 20 30 EFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336128 1286530334 /nfs/dbraw/zinc/53/03/34/1286530334.db2.gz OVNCXLCUIQKCNU-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336128 1286530341 /nfs/dbraw/zinc/53/03/41/1286530341.db2.gz OVNCXLCUIQKCNU-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336128 1286530344 /nfs/dbraw/zinc/53/03/44/1286530344.db2.gz OVNCXLCUIQKCNU-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336128 1286530348 /nfs/dbraw/zinc/53/03/48/1286530348.db2.gz OVNCXLCUIQKCNU-SOAGJPPSSA-N 2 2 349.519 2.520 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134375961 1286611067 /nfs/dbraw/zinc/61/10/67/1286611067.db2.gz GNMLVRIXYUTKJJ-CHWSQXEVSA-N 2 2 334.851 2.882 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403530 1286660371 /nfs/dbraw/zinc/66/03/71/1286660371.db2.gz PAFLURNZOJZYEU-JKSUJKDBSA-N 2 2 332.492 2.601 20 30 EFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595074 1286709371 /nfs/dbraw/zinc/70/93/71/1286709371.db2.gz KVYCSENHRCPXKA-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595074 1286709378 /nfs/dbraw/zinc/70/93/78/1286709378.db2.gz KVYCSENHRCPXKA-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595074 1286709381 /nfs/dbraw/zinc/70/93/81/1286709381.db2.gz KVYCSENHRCPXKA-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595074 1286709386 /nfs/dbraw/zinc/70/93/86/1286709386.db2.gz KVYCSENHRCPXKA-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402491 1287979743 /nfs/dbraw/zinc/97/97/43/1287979743.db2.gz YEHODXGKNROWKN-IRXDYDNUSA-N 2 2 334.508 2.972 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810802 1288132163 /nfs/dbraw/zinc/13/21/63/1288132163.db2.gz PAAIZTAYNJMHAP-OAHLLOKOSA-N 2 2 326.872 2.680 20 30 EFEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177065217 1288249284 /nfs/dbraw/zinc/24/92/84/1288249284.db2.gz XLKPKZVLONUGED-GOSISDBHSA-N 2 2 332.492 2.527 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339283 1288397954 /nfs/dbraw/zinc/39/79/54/1288397954.db2.gz BGAVDGGHVZILBF-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339283 1288397961 /nfs/dbraw/zinc/39/79/61/1288397961.db2.gz BGAVDGGHVZILBF-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001177372113 1288406974 /nfs/dbraw/zinc/40/69/74/1288406974.db2.gz RHAMSHGGIMQBCZ-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001177349076 1288414277 /nfs/dbraw/zinc/41/42/77/1288414277.db2.gz XEALOAUBPSIFCP-UHFFFAOYSA-N 2 2 344.503 2.558 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177466684 1288431611 /nfs/dbraw/zinc/43/16/11/1288431611.db2.gz BISFHBHQRAMLLR-UHFFFAOYSA-N 2 2 332.492 2.872 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177430887 1288436515 /nfs/dbraw/zinc/43/65/15/1288436515.db2.gz BCLRIWJRWAPTCV-SFHVURJKSA-N 2 2 344.503 2.856 20 30 EFEDLP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492160 1288447757 /nfs/dbraw/zinc/44/77/57/1288447757.db2.gz AZLRWONQXSXBSQ-UHFFFAOYSA-N 2 2 338.883 2.634 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177493451 1288449073 /nfs/dbraw/zinc/44/90/73/1288449073.db2.gz XMRMFBPAFMGTHN-UHFFFAOYSA-N 2 2 332.492 2.848 20 30 EFEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492477 1288449237 /nfs/dbraw/zinc/44/92/37/1288449237.db2.gz JKIWEPUTGUJWHC-UHFFFAOYSA-N 2 2 332.492 2.848 20 30 EFEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840609 1288472320 /nfs/dbraw/zinc/47/23/20/1288472320.db2.gz MKYROZRNXFDGEU-HOTGVXAUSA-N 2 2 326.444 2.935 20 30 EFEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841251 1288472992 /nfs/dbraw/zinc/47/29/92/1288472992.db2.gz XYVWPHNBNCQJQH-JKSUJKDBSA-N 2 2 326.444 2.935 20 30 EFEDLP C=CCOCC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178827108 1288932052 /nfs/dbraw/zinc/93/20/52/1288932052.db2.gz CWWZLUSJJJHZPX-UHFFFAOYSA-N 2 2 344.459 2.645 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880756 1288956878 /nfs/dbraw/zinc/95/68/78/1288956878.db2.gz POHBHYPZXQGTDU-INIZCTEOSA-N 2 2 332.492 2.665 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880756 1288956885 /nfs/dbraw/zinc/95/68/85/1288956885.db2.gz POHBHYPZXQGTDU-INIZCTEOSA-N 2 2 332.492 2.665 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178977685 1288989639 /nfs/dbraw/zinc/98/96/39/1288989639.db2.gz BQILVOANEDBJPC-VYDXJSESSA-N 2 2 331.460 2.566 20 30 EFEDLP CC(C)OCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658369 1312690916 /nfs/dbraw/zinc/69/09/16/1312690916.db2.gz QMYPZSBCPYFNOB-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP CC(C)OCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658369 1312690918 /nfs/dbraw/zinc/69/09/18/1312690918.db2.gz QMYPZSBCPYFNOB-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP CC(C)OCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658369 1312690920 /nfs/dbraw/zinc/69/09/20/1312690920.db2.gz QMYPZSBCPYFNOB-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP CC(C)OCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658369 1312690922 /nfs/dbraw/zinc/69/09/22/1312690922.db2.gz QMYPZSBCPYFNOB-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165838347 1312691003 /nfs/dbraw/zinc/69/10/03/1312691003.db2.gz ZKSUZVFZMPUDLV-IAGOWNOFSA-N 2 2 344.503 2.676 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179692854 1289222371 /nfs/dbraw/zinc/22/23/71/1289222371.db2.gz UTJBGMYXZJZTKU-RYRKJORJSA-N 2 2 332.492 2.914 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179692854 1289222373 /nfs/dbraw/zinc/22/23/73/1289222373.db2.gz UTJBGMYXZJZTKU-RYRKJORJSA-N 2 2 332.492 2.914 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001181896656 1289993469 /nfs/dbraw/zinc/99/34/69/1289993469.db2.gz QJTUZNYOZDVBSE-OXQOHEQNSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669378 1290236623 /nfs/dbraw/zinc/23/66/23/1290236623.db2.gz NZCSKZMZWXWTOD-WOCWXWTJSA-N 2 2 344.503 2.564 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855295 1290260209 /nfs/dbraw/zinc/26/02/09/1290260209.db2.gz HFPFEABNDKPWCJ-FRQCXROJSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855295 1290260217 /nfs/dbraw/zinc/26/02/17/1290260217.db2.gz HFPFEABNDKPWCJ-FRQCXROJSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575363 1290368046 /nfs/dbraw/zinc/36/80/46/1290368046.db2.gz QZWNVTUIQJYQBN-IEBWSBKVSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184652167 1290488353 /nfs/dbraw/zinc/48/83/53/1290488353.db2.gz LHDUFZKFOSCULF-WMZOPIPTSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184653893 1290489939 /nfs/dbraw/zinc/48/99/39/1290489939.db2.gz SRXZBGQCSYYWGQ-HUUCEWRRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184797500 1290524992 /nfs/dbraw/zinc/52/49/92/1290524992.db2.gz DDDWVBNTRWKHMQ-HOTGVXAUSA-N 2 2 326.444 2.598 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185490517 1290704028 /nfs/dbraw/zinc/70/40/28/1290704028.db2.gz AYSIAQCWRVFHGY-TZMCWYRMSA-N 2 2 338.883 2.514 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185490760 1290704124 /nfs/dbraw/zinc/70/41/24/1290704124.db2.gz BXPHUHRJTWKWKC-CVEARBPZSA-N 2 2 332.492 2.728 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185790146 1290763121 /nfs/dbraw/zinc/76/31/21/1290763121.db2.gz YBUKANJZFHRKCJ-ROUUACIJSA-N 2 2 334.508 2.928 20 30 EFEDLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c1 ZINC001232966591 1312820705 /nfs/dbraw/zinc/82/07/05/1312820705.db2.gz SHDGNZQQBARUEJ-TZIWHRDSSA-N 2 2 349.482 2.554 20 30 EFEDLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c1 ZINC001232966591 1312820710 /nfs/dbraw/zinc/82/07/10/1312820710.db2.gz SHDGNZQQBARUEJ-TZIWHRDSSA-N 2 2 349.482 2.554 20 30 EFEDLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c1 ZINC001232966591 1312820712 /nfs/dbraw/zinc/82/07/12/1312820712.db2.gz SHDGNZQQBARUEJ-TZIWHRDSSA-N 2 2 349.482 2.554 20 30 EFEDLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c1 ZINC001232966591 1312820715 /nfs/dbraw/zinc/82/07/15/1312820715.db2.gz SHDGNZQQBARUEJ-TZIWHRDSSA-N 2 2 349.482 2.554 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009053 1291105409 /nfs/dbraw/zinc/10/54/09/1291105409.db2.gz GDBNDLRLKIWHFK-HZPDHXFCSA-N 2 2 337.508 2.918 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001233080283 1312850920 /nfs/dbraw/zinc/85/09/20/1312850920.db2.gz WUNNENIRSUQGNL-SFTDATJTSA-N 2 2 332.451 2.826 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511299 1291697756 /nfs/dbraw/zinc/69/77/56/1291697756.db2.gz IJUHSTZZLSPIJI-PMACEKPBSA-N 2 2 327.472 2.843 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511299 1291697763 /nfs/dbraw/zinc/69/77/63/1291697763.db2.gz IJUHSTZZLSPIJI-PMACEKPBSA-N 2 2 327.472 2.843 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586854 1291809727 /nfs/dbraw/zinc/80/97/27/1291809727.db2.gz XDTPCJLRSUUOBF-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)CC1 ZINC000957602658 1291853926 /nfs/dbraw/zinc/85/39/26/1291853926.db2.gz DICHVAJFBOCUCP-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957619017 1291897511 /nfs/dbraw/zinc/89/75/11/1291897511.db2.gz NNQJRANHOASKTC-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957619017 1291897520 /nfs/dbraw/zinc/89/75/20/1291897520.db2.gz NNQJRANHOASKTC-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016625217 1312888634 /nfs/dbraw/zinc/88/86/34/1312888634.db2.gz MPIKGIHTNMWXAL-QGZVFWFLSA-N 2 2 338.455 2.803 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957626586 1291912596 /nfs/dbraw/zinc/91/25/96/1291912596.db2.gz WZECWYBTXDDJSQ-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000957636969 1291938028 /nfs/dbraw/zinc/93/80/28/1291938028.db2.gz GIYVFTTYZUJTID-UHFFFAOYSA-N 2 2 344.503 2.931 20 30 EFEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203230482 1312892669 /nfs/dbraw/zinc/89/26/69/1312892669.db2.gz MVPAIRUWKGDOAI-RTBURBONSA-N 2 2 348.450 2.526 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190173752 1292040074 /nfs/dbraw/zinc/04/00/74/1292040074.db2.gz AFPHORLHJBAYRR-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190173752 1292040084 /nfs/dbraw/zinc/04/00/84/1292040084.db2.gz AFPHORLHJBAYRR-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190178145 1292045561 /nfs/dbraw/zinc/04/55/61/1292045561.db2.gz UBZAIFWGZBBYCZ-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190178145 1292045571 /nfs/dbraw/zinc/04/55/71/1292045571.db2.gz UBZAIFWGZBBYCZ-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754227 1292301019 /nfs/dbraw/zinc/30/10/19/1292301019.db2.gz GSWVVVGNJLVDTJ-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754227 1292301028 /nfs/dbraw/zinc/30/10/28/1292301028.db2.gz GSWVVVGNJLVDTJ-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754227 1292301033 /nfs/dbraw/zinc/30/10/33/1292301033.db2.gz GSWVVVGNJLVDTJ-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754227 1292301037 /nfs/dbraw/zinc/30/10/37/1292301037.db2.gz GSWVVVGNJLVDTJ-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818947 1292328781 /nfs/dbraw/zinc/32/87/81/1292328781.db2.gz UOCGOGUVOOJIEK-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818947 1292328792 /nfs/dbraw/zinc/32/87/92/1292328792.db2.gz UOCGOGUVOOJIEK-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001233386473 1312919956 /nfs/dbraw/zinc/91/99/56/1312919956.db2.gz VMGQLJSPQLHDCE-PMACEKPBSA-N 2 2 333.435 2.828 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989229 1292415428 /nfs/dbraw/zinc/41/54/28/1292415428.db2.gz MVRIHKWFBMJWOL-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989229 1292415434 /nfs/dbraw/zinc/41/54/34/1292415434.db2.gz MVRIHKWFBMJWOL-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008740 1292422118 /nfs/dbraw/zinc/42/21/18/1292422118.db2.gz AIGABYPZMBKNSD-IEBWSBKVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008740 1292422125 /nfs/dbraw/zinc/42/21/25/1292422125.db2.gz AIGABYPZMBKNSD-IEBWSBKVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012327 1292424906 /nfs/dbraw/zinc/42/49/06/1292424906.db2.gz XMIGNGMDHZALLP-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012327 1292424909 /nfs/dbraw/zinc/42/49/09/1292424909.db2.gz XMIGNGMDHZALLP-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203540207 1312950707 /nfs/dbraw/zinc/95/07/07/1312950707.db2.gz UIIBDGUZQTZWLL-HOTGVXAUSA-N 2 2 330.476 2.716 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001203544640 1312951459 /nfs/dbraw/zinc/95/14/59/1312951459.db2.gz HTKOHISDSYRWQV-UHFFFAOYSA-N 2 2 332.492 2.680 20 30 EFEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203563703 1312957329 /nfs/dbraw/zinc/95/73/29/1312957329.db2.gz RGJYVDRXSPVDRR-RBUKOAKNSA-N 2 2 348.450 2.526 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095902498 1292930503 /nfs/dbraw/zinc/93/05/03/1292930503.db2.gz DBJCWLRVBXYNKO-NCOADZHNSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095902498 1292930510 /nfs/dbraw/zinc/93/05/10/1292930510.db2.gz DBJCWLRVBXYNKO-NCOADZHNSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095902498 1292930518 /nfs/dbraw/zinc/93/05/18/1292930518.db2.gz DBJCWLRVBXYNKO-NCOADZHNSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095902498 1292930522 /nfs/dbraw/zinc/93/05/22/1292930522.db2.gz DBJCWLRVBXYNKO-NCOADZHNSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523745 1312964159 /nfs/dbraw/zinc/96/41/59/1312964159.db2.gz GTUYWYNQIYBVQH-ARFHVFGLSA-N 2 2 348.878 2.578 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523745 1312964164 /nfs/dbraw/zinc/96/41/64/1312964164.db2.gz GTUYWYNQIYBVQH-ARFHVFGLSA-N 2 2 348.878 2.578 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001016824558 1312998957 /nfs/dbraw/zinc/99/89/57/1312998957.db2.gz WOBPKHPGMCWRDO-DOTOQJQBSA-N 2 2 342.487 2.767 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815837 1313023536 /nfs/dbraw/zinc/02/35/36/1313023536.db2.gz RHOSBAVVMXBJAT-DLBZAZTESA-N 2 2 330.476 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572006 1313034256 /nfs/dbraw/zinc/03/42/56/1313034256.db2.gz JBAAMLHZYYIMCS-IRXDYDNUSA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572006 1313034259 /nfs/dbraw/zinc/03/42/59/1313034259.db2.gz JBAAMLHZYYIMCS-IRXDYDNUSA-N 2 2 344.846 2.766 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268348 1294177689 /nfs/dbraw/zinc/17/76/89/1294177689.db2.gz GQDSSUDBKXMXTI-KRWDZBQOSA-N 2 2 332.492 2.816 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268348 1294177693 /nfs/dbraw/zinc/17/76/93/1294177693.db2.gz GQDSSUDBKXMXTI-KRWDZBQOSA-N 2 2 332.492 2.816 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331762 1294199783 /nfs/dbraw/zinc/19/97/83/1294199783.db2.gz DSXSDBDCNOBCFF-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331762 1294199787 /nfs/dbraw/zinc/19/97/87/1294199787.db2.gz DSXSDBDCNOBCFF-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196339758 1294203780 /nfs/dbraw/zinc/20/37/80/1294203780.db2.gz CWGZJVHNZJSPFR-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196339758 1294203788 /nfs/dbraw/zinc/20/37/88/1294203788.db2.gz CWGZJVHNZJSPFR-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341989 1294204408 /nfs/dbraw/zinc/20/44/08/1294204408.db2.gz UBLCDCAJXSBJCI-RDJZCZTQSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001196341989 1294204416 /nfs/dbraw/zinc/20/44/16/1294204416.db2.gz UBLCDCAJXSBJCI-RDJZCZTQSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341989 1294204422 /nfs/dbraw/zinc/20/44/22/1294204422.db2.gz UBLCDCAJXSBJCI-RDJZCZTQSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001196341989 1294204428 /nfs/dbraw/zinc/20/44/28/1294204428.db2.gz UBLCDCAJXSBJCI-RDJZCZTQSA-N 2 2 344.503 2.712 20 30 EFEDLP Cc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000303775032 1294577416 /nfs/dbraw/zinc/57/74/16/1294577416.db2.gz GNBIKZYOWSZWTP-IYBDPMFKSA-N 2 2 332.492 2.918 20 30 EFEDLP Cc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000303775032 1294577430 /nfs/dbraw/zinc/57/74/30/1294577430.db2.gz GNBIKZYOWSZWTP-IYBDPMFKSA-N 2 2 332.492 2.918 20 30 EFEDLP Cc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000303775028 1294577750 /nfs/dbraw/zinc/57/77/50/1294577750.db2.gz GNBIKZYOWSZWTP-HOTGVXAUSA-N 2 2 332.492 2.918 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000303783028 1294582009 /nfs/dbraw/zinc/58/20/09/1294582009.db2.gz NTSHHXFWMSECFB-GOSISDBHSA-N 2 2 342.443 2.733 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccc(F)cc1 ZINC000303897233 1294599296 /nfs/dbraw/zinc/59/92/96/1294599296.db2.gz QIFXDSDMUPVKSU-SFHVURJKSA-N 2 2 328.435 2.575 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625850 1313104014 /nfs/dbraw/zinc/10/40/14/1313104014.db2.gz IJBKKGTWAVQBOE-RTBURBONSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625850 1313104016 /nfs/dbraw/zinc/10/40/16/1313104016.db2.gz IJBKKGTWAVQBOE-RTBURBONSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435970 1313128285 /nfs/dbraw/zinc/12/82/85/1313128285.db2.gz MUXDVRZOAOHPFM-AEFFLSMTSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435970 1313128286 /nfs/dbraw/zinc/12/82/86/1313128286.db2.gz MUXDVRZOAOHPFM-AEFFLSMTSA-N 2 2 344.503 2.649 20 30 EFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425676 1296278582 /nfs/dbraw/zinc/27/85/82/1296278582.db2.gz RFAFLSYHECKJRJ-HXUWFJFHSA-N 2 2 344.478 2.547 20 30 EFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425676 1296278589 /nfs/dbraw/zinc/27/85/89/1296278589.db2.gz RFAFLSYHECKJRJ-HXUWFJFHSA-N 2 2 344.478 2.547 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201174218 1296605610 /nfs/dbraw/zinc/60/56/10/1296605610.db2.gz IININCVMQOGJRS-MRXNPFEDSA-N 2 2 338.883 2.803 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000960305117 1296721918 /nfs/dbraw/zinc/72/19/18/1296721918.db2.gz SHBRVWUILKBINA-POZUXBRTSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000960305117 1296721925 /nfs/dbraw/zinc/72/19/25/1296721925.db2.gz SHBRVWUILKBINA-POZUXBRTSA-N 2 2 347.890 2.595 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321175 1296725309 /nfs/dbraw/zinc/72/53/09/1296725309.db2.gz GQLHIZRSFXSIEW-KRWDZBQOSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512431 1313302568 /nfs/dbraw/zinc/30/25/68/1313302568.db2.gz LSXIVPBTHHPUKS-UHFFFAOYSA-N 2 2 332.492 2.721 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205516005 1313302918 /nfs/dbraw/zinc/30/29/18/1313302918.db2.gz JMFRKYSGIDTNDZ-MRXNPFEDSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205552753 1313311062 /nfs/dbraw/zinc/31/10/62/1313311062.db2.gz KOLVGEDLCPPXPM-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205555619 1313311608 /nfs/dbraw/zinc/31/16/08/1313311608.db2.gz BOCADCZZKCYPDY-KRWDZBQOSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205555619 1313311613 /nfs/dbraw/zinc/31/16/13/1313311613.db2.gz BOCADCZZKCYPDY-KRWDZBQOSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049818787 1313338459 /nfs/dbraw/zinc/33/84/59/1313338459.db2.gz ALDLPJQRDHXTJC-RBUKOAKNSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049818787 1313338462 /nfs/dbraw/zinc/33/84/62/1313338462.db2.gz ALDLPJQRDHXTJC-RBUKOAKNSA-N 2 2 336.439 2.737 20 30 EFEDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235530684 1313345456 /nfs/dbraw/zinc/34/54/56/1313345456.db2.gz WHDKDFGARSLMCV-HXUWFJFHSA-N 2 2 327.472 2.828 20 30 EFEDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235530684 1313345460 /nfs/dbraw/zinc/34/54/60/1313345460.db2.gz WHDKDFGARSLMCV-HXUWFJFHSA-N 2 2 327.472 2.828 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205741771 1313348728 /nfs/dbraw/zinc/34/87/28/1313348728.db2.gz QCWGBOJQDZMJAS-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847672 1313382974 /nfs/dbraw/zinc/38/29/74/1313382974.db2.gz ZCEFOVJFWKNUDP-SJORKVTESA-N 2 2 348.878 2.579 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847672 1313382975 /nfs/dbraw/zinc/38/29/75/1313382975.db2.gz ZCEFOVJFWKNUDP-SJORKVTESA-N 2 2 348.878 2.579 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849038 1313384332 /nfs/dbraw/zinc/38/43/32/1313384332.db2.gz MTLOCQKOOJKILQ-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849038 1313384335 /nfs/dbraw/zinc/38/43/35/1313384335.db2.gz MTLOCQKOOJKILQ-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567783 1298032830 /nfs/dbraw/zinc/03/28/30/1298032830.db2.gz XIHSQCZCQWDQBM-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567783 1298032839 /nfs/dbraw/zinc/03/28/39/1298032839.db2.gz XIHSQCZCQWDQBM-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192350 1298282340 /nfs/dbraw/zinc/28/23/40/1298282340.db2.gz XTVLAXYLCXSFSM-JKSUJKDBSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961192350 1298282353 /nfs/dbraw/zinc/28/23/53/1298282353.db2.gz XTVLAXYLCXSFSM-JKSUJKDBSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277051 1298474572 /nfs/dbraw/zinc/47/45/72/1298474572.db2.gz XDMJAAXIDUBHLN-ZWKOTPCHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961277051 1298474575 /nfs/dbraw/zinc/47/45/75/1298474575.db2.gz XDMJAAXIDUBHLN-ZWKOTPCHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961362118 1298616245 /nfs/dbraw/zinc/61/62/45/1298616245.db2.gz USMFNMCCSXZQFQ-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961362118 1298616252 /nfs/dbraw/zinc/61/62/52/1298616252.db2.gz USMFNMCCSXZQFQ-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961366993 1298624143 /nfs/dbraw/zinc/62/41/43/1298624143.db2.gz KFKOQCBNSRBMCB-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961366993 1298624155 /nfs/dbraw/zinc/62/41/55/1298624155.db2.gz KFKOQCBNSRBMCB-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961366993 1298624163 /nfs/dbraw/zinc/62/41/63/1298624163.db2.gz KFKOQCBNSRBMCB-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961366993 1298624171 /nfs/dbraw/zinc/62/41/71/1298624171.db2.gz KFKOQCBNSRBMCB-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961368574 1298630231 /nfs/dbraw/zinc/63/02/31/1298630231.db2.gz TZMIGCSTJMYOKJ-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961368574 1298630235 /nfs/dbraw/zinc/63/02/35/1298630235.db2.gz TZMIGCSTJMYOKJ-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961368574 1298630238 /nfs/dbraw/zinc/63/02/38/1298630238.db2.gz TZMIGCSTJMYOKJ-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961368574 1298630245 /nfs/dbraw/zinc/63/02/45/1298630245.db2.gz TZMIGCSTJMYOKJ-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898483 1313544363 /nfs/dbraw/zinc/54/43/63/1313544363.db2.gz TURLPVXNJVGDRE-UHFFFAOYSA-N 2 2 332.492 2.835 20 30 EFEDLP C=CCN(CC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204187 1313636484 /nfs/dbraw/zinc/63/64/84/1313636484.db2.gz FCSPWSCWOMVOME-CALCHBBNSA-N 2 2 337.508 2.683 20 30 EFEDLP C=CCN(CC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204187 1313636488 /nfs/dbraw/zinc/63/64/88/1313636488.db2.gz FCSPWSCWOMVOME-CALCHBBNSA-N 2 2 337.508 2.683 20 30 EFEDLP C=CCN(CC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204187 1313636492 /nfs/dbraw/zinc/63/64/92/1313636492.db2.gz FCSPWSCWOMVOME-CALCHBBNSA-N 2 2 337.508 2.683 20 30 EFEDLP C=CCN(CC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204187 1313636495 /nfs/dbraw/zinc/63/64/95/1313636495.db2.gz FCSPWSCWOMVOME-CALCHBBNSA-N 2 2 337.508 2.683 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCC=C ZINC001110678553 1300456559 /nfs/dbraw/zinc/45/65/59/1300456559.db2.gz AJHDIAINGWUUAX-ZRNYENFQSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC=C ZINC001110678553 1300456566 /nfs/dbraw/zinc/45/65/66/1300456566.db2.gz AJHDIAINGWUUAX-ZRNYENFQSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCC=C ZINC001110678553 1300456575 /nfs/dbraw/zinc/45/65/75/1300456575.db2.gz AJHDIAINGWUUAX-ZRNYENFQSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCC=C ZINC001110678553 1300456578 /nfs/dbraw/zinc/45/65/78/1300456578.db2.gz AJHDIAINGWUUAX-ZRNYENFQSA-N 2 2 343.515 2.552 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315725 1300583186 /nfs/dbraw/zinc/58/31/86/1300583186.db2.gz XFOPXQAHGOWMRT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315725 1300583191 /nfs/dbraw/zinc/58/31/91/1300583191.db2.gz XFOPXQAHGOWMRT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315725 1300583199 /nfs/dbraw/zinc/58/31/99/1300583199.db2.gz XFOPXQAHGOWMRT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315725 1300583205 /nfs/dbraw/zinc/58/32/05/1300583205.db2.gz XFOPXQAHGOWMRT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000963322278 1300596584 /nfs/dbraw/zinc/59/65/84/1300596584.db2.gz GWNZNUZPUAFSSJ-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000963322278 1300596590 /nfs/dbraw/zinc/59/65/90/1300596590.db2.gz GWNZNUZPUAFSSJ-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333259 1300620867 /nfs/dbraw/zinc/62/08/67/1300620867.db2.gz LKCGPUHGFYFCQY-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333259 1300620869 /nfs/dbraw/zinc/62/08/69/1300620869.db2.gz LKCGPUHGFYFCQY-DLBZAZTESA-N 2 2 338.455 2.837 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336414 1300629474 /nfs/dbraw/zinc/62/94/74/1300629474.db2.gz FAWGYQFQOMRIEQ-RTBURBONSA-N 2 2 339.483 2.957 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336414 1300629485 /nfs/dbraw/zinc/62/94/85/1300629485.db2.gz FAWGYQFQOMRIEQ-RTBURBONSA-N 2 2 339.483 2.957 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365711 1300698746 /nfs/dbraw/zinc/69/87/46/1300698746.db2.gz HBFREMUAIQAMCT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365711 1300698756 /nfs/dbraw/zinc/69/87/56/1300698756.db2.gz HBFREMUAIQAMCT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365709 1300699341 /nfs/dbraw/zinc/69/93/41/1300699341.db2.gz HBFREMUAIQAMCT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365709 1300699350 /nfs/dbraw/zinc/69/93/50/1300699350.db2.gz HBFREMUAIQAMCT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963387637 1300748983 /nfs/dbraw/zinc/74/89/83/1300748983.db2.gz WJAPNZRIVMVEDN-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963387637 1300748990 /nfs/dbraw/zinc/74/89/90/1300748990.db2.gz WJAPNZRIVMVEDN-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001114555639 1300859118 /nfs/dbraw/zinc/85/91/18/1300859118.db2.gz FKIAROLVFSZYRC-MNZLEMJZSA-N 2 2 338.455 2.741 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001114555639 1300859136 /nfs/dbraw/zinc/85/91/36/1300859136.db2.gz FKIAROLVFSZYRC-MNZLEMJZSA-N 2 2 338.455 2.741 20 30 EFEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238102857 1313760986 /nfs/dbraw/zinc/76/09/86/1313760986.db2.gz DKVHBAQWQSJLCS-RTBURBONSA-N 2 2 327.428 2.660 20 30 EFEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238102857 1313760990 /nfs/dbraw/zinc/76/09/90/1313760990.db2.gz DKVHBAQWQSJLCS-RTBURBONSA-N 2 2 327.428 2.660 20 30 EFEDLP C=CCOCc1ncn2c1C[N@H+](Cc1cccc3c[nH+]cn31)CCC2 ZINC001238103337 1313761329 /nfs/dbraw/zinc/76/13/29/1313761329.db2.gz CXMPTMNKZBBQPD-UHFFFAOYSA-N 2 2 337.427 2.639 20 30 EFEDLP C=CCOCc1ncn2c1C[N@@H+](Cc1cccc3c[nH+]cn31)CCC2 ZINC001238103337 1313761332 /nfs/dbraw/zinc/76/13/32/1313761332.db2.gz CXMPTMNKZBBQPD-UHFFFAOYSA-N 2 2 337.427 2.639 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000963903007 1301453683 /nfs/dbraw/zinc/45/36/83/1301453683.db2.gz USLPRYPIMSDLCP-GPANFISMSA-N 2 2 330.476 2.765 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761688 1313767828 /nfs/dbraw/zinc/76/78/28/1313767828.db2.gz MUGJPFKKOCSLDL-KZNAEPCWSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761688 1313767832 /nfs/dbraw/zinc/76/78/32/1313767832.db2.gz MUGJPFKKOCSLDL-KZNAEPCWSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018309941 1313805103 /nfs/dbraw/zinc/80/51/03/1313805103.db2.gz APOYJDITALRVRQ-OTWHNJEPSA-N 2 2 327.472 2.541 20 30 EFEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018309941 1313805106 /nfs/dbraw/zinc/80/51/06/1313805106.db2.gz APOYJDITALRVRQ-OTWHNJEPSA-N 2 2 327.472 2.541 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310334 1313805180 /nfs/dbraw/zinc/80/51/80/1313805180.db2.gz KUTUEBODEJSOTL-CEXWTWQISA-N 2 2 327.472 2.541 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310334 1313805183 /nfs/dbraw/zinc/80/51/83/1313805183.db2.gz KUTUEBODEJSOTL-CEXWTWQISA-N 2 2 327.472 2.541 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048701 1313834301 /nfs/dbraw/zinc/83/43/01/1313834301.db2.gz JWWKNRMGSDRKTE-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208062112 1313838007 /nfs/dbraw/zinc/83/80/07/1313838007.db2.gz ZNJQLNWEJVTCDD-IAGOWNOFSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208062112 1313838010 /nfs/dbraw/zinc/83/80/10/1313838010.db2.gz ZNJQLNWEJVTCDD-IAGOWNOFSA-N 2 2 332.492 2.536 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1CC ZINC001037846898 1303558469 /nfs/dbraw/zinc/55/84/69/1303558469.db2.gz WLVOGKQYGDIXEM-AEFFLSMTSA-N 2 2 344.503 2.555 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450756 1313931758 /nfs/dbraw/zinc/93/17/58/1313931758.db2.gz KLZVOQVRDKNFNT-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208450229 1313932002 /nfs/dbraw/zinc/93/20/02/1313932002.db2.gz BTEAJFOUNWIZAM-ROUUACIJSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486142 1304008538 /nfs/dbraw/zinc/00/85/38/1304008538.db2.gz CKMLQLNIIFGMOL-HOCLYGCPSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486142 1304008547 /nfs/dbraw/zinc/00/85/47/1304008547.db2.gz CKMLQLNIIFGMOL-HOCLYGCPSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097318971 1313968051 /nfs/dbraw/zinc/96/80/51/1313968051.db2.gz XRRPGLDRXMNHIY-ZACQAIPSSA-N 2 2 330.476 2.614 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097318971 1313968054 /nfs/dbraw/zinc/96/80/54/1313968054.db2.gz XRRPGLDRXMNHIY-ZACQAIPSSA-N 2 2 330.476 2.614 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+](CCCc3cccc(C#N)c3)CC2)c1 ZINC001208854783 1314030584 /nfs/dbraw/zinc/03/05/84/1314030584.db2.gz UNRCGQNFVGBNPU-UHFFFAOYSA-N 2 2 336.439 2.717 20 30 EFEDLP N#Cc1ccc(CCC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208859360 1314031493 /nfs/dbraw/zinc/03/14/93/1314031493.db2.gz PUXOCLUVUQGLNN-UHFFFAOYSA-N 2 2 347.422 2.782 20 30 EFEDLP N#Cc1ccc(CCC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208859360 1314031495 /nfs/dbraw/zinc/03/14/95/1314031495.db2.gz PUXOCLUVUQGLNN-UHFFFAOYSA-N 2 2 347.422 2.782 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417540 1306287705 /nfs/dbraw/zinc/28/77/05/1306287705.db2.gz FZZGKBGULMTZRP-KDOFPFPSSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417540 1306287710 /nfs/dbraw/zinc/28/77/10/1306287710.db2.gz FZZGKBGULMTZRP-KDOFPFPSSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001044601812 1306649072 /nfs/dbraw/zinc/64/90/72/1306649072.db2.gz FBLKSSVNADLYGE-RHSMWYFYSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968855950 1306726495 /nfs/dbraw/zinc/72/64/95/1306726495.db2.gz CFXLJGVRLSIDRP-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855950 1306726498 /nfs/dbraw/zinc/72/64/98/1306726498.db2.gz CFXLJGVRLSIDRP-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855950 1306726501 /nfs/dbraw/zinc/72/65/01/1306726501.db2.gz CFXLJGVRLSIDRP-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855950 1306726503 /nfs/dbraw/zinc/72/65/03/1306726503.db2.gz CFXLJGVRLSIDRP-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351708 1314145626 /nfs/dbraw/zinc/14/56/26/1314145626.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351708 1314145628 /nfs/dbraw/zinc/14/56/28/1314145628.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351708 1314145631 /nfs/dbraw/zinc/14/56/31/1314145631.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351708 1314145634 /nfs/dbraw/zinc/14/56/34/1314145634.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 2 332.492 2.771 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001044773525 1306791987 /nfs/dbraw/zinc/79/19/87/1306791987.db2.gz BEKADHVADPNRRR-SJORKVTESA-N 2 2 340.471 2.730 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925883 1306804653 /nfs/dbraw/zinc/80/46/53/1306804653.db2.gz OVRULXUMUJDZRM-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925883 1306804655 /nfs/dbraw/zinc/80/46/55/1306804655.db2.gz 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ZINC001014780099 1311724913 /nfs/dbraw/zinc/72/49/13/1311724913.db2.gz PJFOPIHFHQOOAA-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014780099 1311724916 /nfs/dbraw/zinc/72/49/16/1311724916.db2.gz PJFOPIHFHQOOAA-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160545259 1311733715 /nfs/dbraw/zinc/73/37/15/1311733715.db2.gz OSBADQLQJLKLAB-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160545259 1311733718 /nfs/dbraw/zinc/73/37/18/1311733718.db2.gz OSBADQLQJLKLAB-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019056 1311753220 /nfs/dbraw/zinc/75/32/20/1311753220.db2.gz DSGLQMUKCOBTBO-IAGOWNOFSA-N 2 2 332.492 2.910 20 30 EFEDLP C=CC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798570 1311783648 /nfs/dbraw/zinc/78/36/48/1311783648.db2.gz LWCLNKMEUUVGPL-UHFFFAOYSA-N 2 2 336.439 2.810 20 30 EFEDLP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798570 1311783652 /nfs/dbraw/zinc/78/36/52/1311783652.db2.gz LWCLNKMEUUVGPL-UHFFFAOYSA-N 2 2 336.439 2.810 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001048535696 1311874852 /nfs/dbraw/zinc/87/48/52/1311874852.db2.gz UQOALGKUIGTRPA-CWQOZTLDSA-N 2 2 342.487 2.839 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001048535696 1311874854 /nfs/dbraw/zinc/87/48/54/1311874854.db2.gz UQOALGKUIGTRPA-CWQOZTLDSA-N 2 2 342.487 2.839 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001048535696 1311874857 /nfs/dbraw/zinc/87/48/57/1311874857.db2.gz UQOALGKUIGTRPA-CWQOZTLDSA-N 2 2 342.487 2.839 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001048535696 1311874858 /nfs/dbraw/zinc/87/48/58/1311874858.db2.gz UQOALGKUIGTRPA-CWQOZTLDSA-N 2 2 342.487 2.839 20 30 EFEDLP N#Cc1c(Cl)c2ccc(F)cc2nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161873048 1311992062 /nfs/dbraw/zinc/99/20/62/1311992062.db2.gz UELQVIMMOPDIAW-UHFFFAOYSA-N 2 2 347.825 2.734 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162395926 1312097998 /nfs/dbraw/zinc/09/79/98/1312097998.db2.gz GMCSZRJVZAMJRO-LCLBVSCISA-N 2 2 336.505 2.953 20 30 EFEDLP Cc1nc(O[C@H]2CC[N@@H+](C)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766361 1312135519 /nfs/dbraw/zinc/13/55/19/1312135519.db2.gz NYOAMWRYDNQIJP-INIZCTEOSA-N 2 2 333.395 2.659 20 30 EFEDLP Cc1nc(O[C@H]2CC[N@H+](C)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766361 1312135521 /nfs/dbraw/zinc/13/55/21/1312135521.db2.gz NYOAMWRYDNQIJP-INIZCTEOSA-N 2 2 333.395 2.659 20 30 EFEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001162826496 1312185421 /nfs/dbraw/zinc/18/54/21/1312185421.db2.gz DZXVURPJKFRDDL-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001162826496 1312185424 /nfs/dbraw/zinc/18/54/24/1312185424.db2.gz DZXVURPJKFRDDL-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001162952137 1312210299 /nfs/dbraw/zinc/21/02/99/1312210299.db2.gz GWBOLGRGCOWHRU-SFHVURJKSA-N 2 2 340.471 2.681 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001230614157 1312283684 /nfs/dbraw/zinc/28/36/84/1312283684.db2.gz WVAZVIWGRHLQBL-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001230614157 1312283687 /nfs/dbraw/zinc/28/36/87/1312283687.db2.gz WVAZVIWGRHLQBL-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001230614158 1312285054 /nfs/dbraw/zinc/28/50/54/1312285054.db2.gz WVAZVIWGRHLQBL-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001230614158 1312285057 /nfs/dbraw/zinc/28/50/57/1312285057.db2.gz WVAZVIWGRHLQBL-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP CC(Nc1nc[nH]c2nc(=S)sc1-2)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163473399 1312320961 /nfs/dbraw/zinc/32/09/61/1312320961.db2.gz QEQBEYZCCVNIPT-UHFFFAOYSA-N 2 2 344.469 2.864 20 30 EFEDLP N#Cc1c[nH]c2cc[nH+]c(N3CC4(C3)C[NH+](Cc3ccccc3)C4)c12 ZINC001165123185 1312572741 /nfs/dbraw/zinc/57/27/41/1312572741.db2.gz KZKTTYBHCXFFAJ-UHFFFAOYSA-N 2 2 329.407 2.757 20 30 EFEDLP Cc1[nH+]c2c(n1-c1nc(-c3cccs3)ccc1C#N)CC[NH2+]CC2 ZINC001165354535 1312615397 /nfs/dbraw/zinc/61/53/97/1312615397.db2.gz DAOWCNHWCMUPHK-UHFFFAOYSA-N 2 2 335.436 2.864 20 30 EFEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001232114584 1312627862 /nfs/dbraw/zinc/62/78/62/1312627862.db2.gz NEUIIYZKOHNFSR-UHFFFAOYSA-N 2 2 332.835 2.842 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593911 1312650873 /nfs/dbraw/zinc/65/08/73/1312650873.db2.gz QIBGHCXMQKBRLC-ARFHVFGLSA-N 2 2 330.476 2.744 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593911 1312650876 /nfs/dbraw/zinc/65/08/76/1312650876.db2.gz QIBGHCXMQKBRLC-ARFHVFGLSA-N 2 2 330.476 2.744 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001245991656 1314561583 /nfs/dbraw/zinc/56/15/83/1314561583.db2.gz WCVXAHFGKFDNPJ-CEXWTWQISA-N 2 2 328.541 2.971 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001245997808 1314562245 /nfs/dbraw/zinc/56/22/45/1314562245.db2.gz WCVXAHFGKFDNPJ-GUDVDZBRSA-N 2 2 328.541 2.971 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246009375 1314564970 /nfs/dbraw/zinc/56/49/70/1314564970.db2.gz TWSDYWHOXDFBQG-SJORKVTESA-N 2 2 330.513 2.748 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246017197 1314566711 /nfs/dbraw/zinc/56/67/11/1314566711.db2.gz WVBHMADJPBTQNR-RTBURBONSA-N 2 2 327.557 2.809 20 30 EFEDLP C=CCCCCCC[C@H](O)C[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246017857 1314566834 /nfs/dbraw/zinc/56/68/34/1314566834.db2.gz DAWOVVGOSFMZGI-OALUTQOASA-N 2 2 348.487 2.950 20 30 EFEDLP CCCCCCCCCC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021847 1314567529 /nfs/dbraw/zinc/56/75/29/1314567529.db2.gz IBGNUWOAQKLKEY-AABGKKOBSA-N 2 2 339.568 2.904 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022757 1314591021 /nfs/dbraw/zinc/59/10/21/1314591021.db2.gz FWTPLUPGDUFTRW-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022757 1314591025 /nfs/dbraw/zinc/59/10/25/1314591025.db2.gz FWTPLUPGDUFTRW-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022759 1314591468 /nfs/dbraw/zinc/59/14/68/1314591468.db2.gz FWTPLUPGDUFTRW-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022759 1314591473 /nfs/dbraw/zinc/59/14/73/1314591473.db2.gz FWTPLUPGDUFTRW-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037140 1314616320 /nfs/dbraw/zinc/61/63/20/1314616320.db2.gz VJQKHAVWLWVQRW-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037140 1314616324 /nfs/dbraw/zinc/61/63/24/1314616324.db2.gz VJQKHAVWLWVQRW-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046198 1314629493 /nfs/dbraw/zinc/62/94/93/1314629493.db2.gz HXAQDDUDPKOFFA-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046198 1314629499 /nfs/dbraw/zinc/62/94/99/1314629499.db2.gz HXAQDDUDPKOFFA-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246528267 1314642320 /nfs/dbraw/zinc/64/23/20/1314642320.db2.gz GQVKKAMMHGIQHY-IEBWSBKVSA-N 2 2 326.488 2.847 20 30 EFEDLP CC(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246862769 1314698832 /nfs/dbraw/zinc/69/88/32/1314698832.db2.gz DEQZRJJNORDEKF-FUHWJXTLSA-N 2 2 330.451 2.596 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093647 1314704795 /nfs/dbraw/zinc/70/47/95/1314704795.db2.gz PDERYBMCFAPQNJ-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093647 1314704797 /nfs/dbraw/zinc/70/47/97/1314704797.db2.gz PDERYBMCFAPQNJ-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099767 1314715508 /nfs/dbraw/zinc/71/55/08/1314715508.db2.gz YTTRKWNDLSKOBR-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099767 1314715511 /nfs/dbraw/zinc/71/55/11/1314715511.db2.gz YTTRKWNDLSKOBR-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112229 1314733572 /nfs/dbraw/zinc/73/35/72/1314733572.db2.gz BOEUQZVHMRXUGK-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112229 1314733575 /nfs/dbraw/zinc/73/35/75/1314733575.db2.gz BOEUQZVHMRXUGK-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916370 1314757906 /nfs/dbraw/zinc/75/79/06/1314757906.db2.gz DNFXTRAMRQBLKY-KZNAEPCWSA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001214950255 1314761624 /nfs/dbraw/zinc/76/16/24/1314761624.db2.gz OHGNKEIQRACTTI-SJLPKXTDSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200484 1314797730 /nfs/dbraw/zinc/79/77/30/1314797730.db2.gz YCVDPCFQWOSNLN-IAGOWNOFSA-N 2 2 332.492 2.536 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001215585756 1314853898 /nfs/dbraw/zinc/85/38/98/1314853898.db2.gz MTUYHGIPODKGAW-BRSBDYLESA-N 2 2 346.519 2.931 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038367405 1314888415 /nfs/dbraw/zinc/88/84/15/1314888415.db2.gz LVEOGAFRBYUCNX-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038367405 1314888421 /nfs/dbraw/zinc/88/84/21/1314888421.db2.gz LVEOGAFRBYUCNX-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038367405 1314888425 /nfs/dbraw/zinc/88/84/25/1314888425.db2.gz LVEOGAFRBYUCNX-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038367405 1314888430 /nfs/dbraw/zinc/88/84/30/1314888430.db2.gz LVEOGAFRBYUCNX-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP CCc1cc(C#N)ccc1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001248752906 1314958765 /nfs/dbraw/zinc/95/87/65/1314958765.db2.gz HELOFWDPEMYTOX-UHFFFAOYSA-N 2 2 336.439 2.846 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001054042615 1315211094 /nfs/dbraw/zinc/21/10/94/1315211094.db2.gz DFHDVGOJULNRSM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001054042615 1315211098 /nfs/dbraw/zinc/21/10/98/1315211098.db2.gz DFHDVGOJULNRSM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001054042615 1315211102 /nfs/dbraw/zinc/21/11/02/1315211102.db2.gz DFHDVGOJULNRSM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001054042615 1315211105 /nfs/dbraw/zinc/21/11/05/1315211105.db2.gz DFHDVGOJULNRSM-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C[NH+]1CCN(c2cccc3[nH+]c(CCc4cccc(C#N)c4)[nH]c32)CC1 ZINC001250581666 1315227704 /nfs/dbraw/zinc/22/77/04/1315227704.db2.gz KHXPRTOVKDULDR-UHFFFAOYSA-N 2 2 345.450 2.972 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147403 1315369226 /nfs/dbraw/zinc/36/92/26/1315369226.db2.gz QKGCNFAQFOCVDX-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147403 1315369228 /nfs/dbraw/zinc/36/92/28/1315369228.db2.gz QKGCNFAQFOCVDX-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054147403 1315369231 /nfs/dbraw/zinc/36/92/31/1315369231.db2.gz QKGCNFAQFOCVDX-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054147403 1315369233 /nfs/dbraw/zinc/36/92/33/1315369233.db2.gz QKGCNFAQFOCVDX-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164506 1315396729 /nfs/dbraw/zinc/39/67/29/1315396729.db2.gz KYTQAUCUNBTXMP-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164506 1315396732 /nfs/dbraw/zinc/39/67/32/1315396732.db2.gz KYTQAUCUNBTXMP-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164847 1315396744 /nfs/dbraw/zinc/39/67/44/1315396744.db2.gz VPQLISJIGWNFFS-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164847 1315396748 /nfs/dbraw/zinc/39/67/48/1315396748.db2.gz VPQLISJIGWNFFS-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054170850 1315405304 /nfs/dbraw/zinc/40/53/04/1315405304.db2.gz IBLYTWTWNRPNIX-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054170850 1315405308 /nfs/dbraw/zinc/40/53/08/1315405308.db2.gz IBLYTWTWNRPNIX-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195817 1315438807 /nfs/dbraw/zinc/43/88/07/1315438807.db2.gz PHDGTNOPGDKEGT-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195817 1315438809 /nfs/dbraw/zinc/43/88/09/1315438809.db2.gz PHDGTNOPGDKEGT-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195628 1315439354 /nfs/dbraw/zinc/43/93/54/1315439354.db2.gz OKPUZFXBIUPPSO-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195628 1315439357 /nfs/dbraw/zinc/43/93/57/1315439357.db2.gz OKPUZFXBIUPPSO-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001252464886 1315452291 /nfs/dbraw/zinc/45/22/91/1315452291.db2.gz BEKLBGMHUNELFZ-HXUWFJFHSA-N 2 2 332.488 2.536 20 30 EFEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001252464886 1315452293 /nfs/dbraw/zinc/45/22/93/1315452293.db2.gz BEKLBGMHUNELFZ-HXUWFJFHSA-N 2 2 332.488 2.536 20 30 EFEDLP C=CCC[C@@H](O)C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1OC ZINC001252610943 1315476267 /nfs/dbraw/zinc/47/62/67/1315476267.db2.gz SONJLPQIIBWKEP-GOSISDBHSA-N 2 2 347.503 2.965 20 30 EFEDLP CCCCCCCCCC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252984796 1315546196 /nfs/dbraw/zinc/54/61/96/1315546196.db2.gz ACVNIUNMORSMIL-QGZVFWFLSA-N 2 2 326.529 2.650 20 30 EFEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001039141994 1315532270 /nfs/dbraw/zinc/53/22/70/1315532270.db2.gz FFPZZFKKRNHASX-SFHVURJKSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001039141994 1315532273 /nfs/dbraw/zinc/53/22/73/1315532273.db2.gz FFPZZFKKRNHASX-SFHVURJKSA-N 2 2 344.503 2.673 20 30 EFEDLP N#Cc1ccc(C2([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252948011 1315540079 /nfs/dbraw/zinc/54/00/79/1315540079.db2.gz HVOFGEHOTOBTCH-OAQYLSRUSA-N 2 2 347.462 2.774 20 30 EFEDLP N#Cc1ccc(C2([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252948011 1315540084 /nfs/dbraw/zinc/54/00/84/1315540084.db2.gz HVOFGEHOTOBTCH-OAQYLSRUSA-N 2 2 347.462 2.774 20 30 EFEDLP N#Cc1ccc(C2([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252948010 1315540163 /nfs/dbraw/zinc/54/01/63/1315540163.db2.gz HVOFGEHOTOBTCH-NRFANRHFSA-N 2 2 347.462 2.774 20 30 EFEDLP N#Cc1ccc(C2([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252948010 1315540169 /nfs/dbraw/zinc/54/01/69/1315540169.db2.gz HVOFGEHOTOBTCH-NRFANRHFSA-N 2 2 347.462 2.774 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001252982543 1315546069 /nfs/dbraw/zinc/54/60/69/1315546069.db2.gz GXWNDHVJQZLIAM-HXUWFJFHSA-N 2 2 339.568 2.810 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252989572 1315546824 /nfs/dbraw/zinc/54/68/24/1315546824.db2.gz QQFXZWONSORFDE-SFHVURJKSA-N 2 2 328.541 2.924 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159898 1315556295 /nfs/dbraw/zinc/55/62/95/1315556295.db2.gz AZLWUCBCVBEMPL-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159898 1315556300 /nfs/dbraw/zinc/55/63/00/1315556300.db2.gz AZLWUCBCVBEMPL-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159898 1315556303 /nfs/dbraw/zinc/55/63/03/1315556303.db2.gz AZLWUCBCVBEMPL-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159898 1315556307 /nfs/dbraw/zinc/55/63/07/1315556307.db2.gz AZLWUCBCVBEMPL-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039160459 1315556839 /nfs/dbraw/zinc/55/68/39/1315556839.db2.gz RDFBYCHEZNHREF-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039160459 1315556844 /nfs/dbraw/zinc/55/68/44/1315556844.db2.gz RDFBYCHEZNHREF-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039160459 1315556847 /nfs/dbraw/zinc/55/68/47/1315556847.db2.gz RDFBYCHEZNHREF-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039160459 1315556851 /nfs/dbraw/zinc/55/68/51/1315556851.db2.gz RDFBYCHEZNHREF-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224957 1315645869 /nfs/dbraw/zinc/64/58/69/1315645869.db2.gz JMOJGJYZEPQNOR-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224957 1315645873 /nfs/dbraw/zinc/64/58/73/1315645873.db2.gz JMOJGJYZEPQNOR-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039226563 1315648119 /nfs/dbraw/zinc/64/81/19/1315648119.db2.gz WHNJKOSDXCKQPJ-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039226563 1315648123 /nfs/dbraw/zinc/64/81/23/1315648123.db2.gz WHNJKOSDXCKQPJ-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228817 1315651322 /nfs/dbraw/zinc/65/13/22/1315651322.db2.gz KPXMPIBRHUNKFS-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228817 1315651325 /nfs/dbraw/zinc/65/13/25/1315651325.db2.gz KPXMPIBRHUNKFS-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253589 1315685459 /nfs/dbraw/zinc/68/54/59/1315685459.db2.gz KWKFZMRQAAOXKQ-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253589 1315685461 /nfs/dbraw/zinc/68/54/61/1315685461.db2.gz KWKFZMRQAAOXKQ-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039296159 1315706103 /nfs/dbraw/zinc/70/61/03/1315706103.db2.gz LTGKKVCXVGMGGR-MQVJKMGUSA-N 2 2 336.867 2.527 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001039300619 1315708533 /nfs/dbraw/zinc/70/85/33/1315708533.db2.gz WUNXZCGAGXBADH-DUZACMNTSA-N 2 2 330.476 2.666 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001039300619 1315708534 /nfs/dbraw/zinc/70/85/34/1315708534.db2.gz WUNXZCGAGXBADH-DUZACMNTSA-N 2 2 330.476 2.666 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001039300620 1315708552 /nfs/dbraw/zinc/70/85/52/1315708552.db2.gz WUNXZCGAGXBADH-UNPWZGGWSA-N 2 2 330.476 2.666 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001039300620 1315708553 /nfs/dbraw/zinc/70/85/53/1315708553.db2.gz WUNXZCGAGXBADH-UNPWZGGWSA-N 2 2 330.476 2.666 20 30 EFEDLP C=C(C)C[NH+]1CCC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001001406631 1315729608 /nfs/dbraw/zinc/72/96/08/1315729608.db2.gz DPPYLOQPKGIBBE-UHFFFAOYSA-N 2 2 326.444 2.661 20 30 EFEDLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254649899 1315735260 /nfs/dbraw/zinc/73/52/60/1315735260.db2.gz SBTQNSJUHFOFNZ-LPHOPBHVSA-N 2 2 341.455 2.719 20 30 EFEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851447 1315750356 /nfs/dbraw/zinc/75/03/56/1315750356.db2.gz AWYKBTSIROZZAO-AZUAARDMSA-N 2 2 347.503 2.581 20 30 EFEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851447 1315750357 /nfs/dbraw/zinc/75/03/57/1315750357.db2.gz AWYKBTSIROZZAO-AZUAARDMSA-N 2 2 347.503 2.581 20 30 EFEDLP N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868559 1315753068 /nfs/dbraw/zinc/75/30/68/1315753068.db2.gz PWSPFHPGTQRDBJ-AZUAARDMSA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868559 1315753069 /nfs/dbraw/zinc/75/30/69/1315753069.db2.gz PWSPFHPGTQRDBJ-AZUAARDMSA-N 2 2 325.456 2.886 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039413656 1315775454 /nfs/dbraw/zinc/77/54/54/1315775454.db2.gz WWHVFSDBOWITTN-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039413656 1315775456 /nfs/dbraw/zinc/77/54/56/1315775456.db2.gz WWHVFSDBOWITTN-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP CC[C@H](CC#N)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168662 1315785121 /nfs/dbraw/zinc/78/51/21/1315785121.db2.gz VFEZUQZTDVUNKQ-RTBURBONSA-N 2 2 342.487 2.829 20 30 EFEDLP CC[C@H](CC#N)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168662 1315785124 /nfs/dbraw/zinc/78/51/24/1315785124.db2.gz VFEZUQZTDVUNKQ-RTBURBONSA-N 2 2 342.487 2.829 20 30 EFEDLP CC[C@H](CC#N)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168659 1315785517 /nfs/dbraw/zinc/78/55/17/1315785517.db2.gz VFEZUQZTDVUNKQ-MOPGFXCFSA-N 2 2 342.487 2.829 20 30 EFEDLP CC[C@H](CC#N)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255168659 1315785520 /nfs/dbraw/zinc/78/55/20/1315785520.db2.gz VFEZUQZTDVUNKQ-MOPGFXCFSA-N 2 2 342.487 2.829 20 30 EFEDLP C[NH+]1CCC([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201265 1315916451 /nfs/dbraw/zinc/91/64/51/1315916451.db2.gz BAFXSWVVHKNLKJ-WGSAOQKQSA-N 3 2 326.488 2.724 20 30 EFEDLP C[NH+]1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201265 1315916453 /nfs/dbraw/zinc/91/64/53/1315916453.db2.gz BAFXSWVVHKNLKJ-WGSAOQKQSA-N 3 2 326.488 2.724 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528574 1315952250 /nfs/dbraw/zinc/95/22/50/1315952250.db2.gz HNVZRTGYKZZSQH-SXLOBPIMSA-N 2 2 341.499 2.806 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528574 1315952253 /nfs/dbraw/zinc/95/22/53/1315952253.db2.gz HNVZRTGYKZZSQH-SXLOBPIMSA-N 2 2 341.499 2.806 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490585 1315955940 /nfs/dbraw/zinc/95/59/40/1315955940.db2.gz VNGYMELQZRAVIM-KRWDZBQOSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490585 1315955942 /nfs/dbraw/zinc/95/59/42/1315955942.db2.gz VNGYMELQZRAVIM-KRWDZBQOSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040263061 1316172363 /nfs/dbraw/zinc/17/23/63/1316172363.db2.gz XCBMTVXOIWAEFV-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040263061 1316172366 /nfs/dbraw/zinc/17/23/66/1316172366.db2.gz XCBMTVXOIWAEFV-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001258907227 1316191043 /nfs/dbraw/zinc/19/10/43/1316191043.db2.gz OTIFIVMEYUHDDC-QFBILLFUSA-N 2 2 345.487 2.742 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389168 1316237339 /nfs/dbraw/zinc/23/73/39/1316237339.db2.gz SMPACEYOXMRSDH-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389168 1316237342 /nfs/dbraw/zinc/23/73/42/1316237342.db2.gz SMPACEYOXMRSDH-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001041518820 1316573643 /nfs/dbraw/zinc/57/36/43/1316573643.db2.gz NNTGHVGYDQHDRY-FQEVSTJZSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001041518820 1316573645 /nfs/dbraw/zinc/57/36/45/1316573645.db2.gz NNTGHVGYDQHDRY-FQEVSTJZSA-N 2 2 336.439 2.596 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665528 1316640745 /nfs/dbraw/zinc/64/07/45/1316640745.db2.gz UDGPFNJRYNLUHZ-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665528 1316640747 /nfs/dbraw/zinc/64/07/47/1316640747.db2.gz UDGPFNJRYNLUHZ-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116037 1316889741 /nfs/dbraw/zinc/88/97/41/1316889741.db2.gz FZCSHFZVULQEEZ-GUYCJALGSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116037 1316889743 /nfs/dbraw/zinc/88/97/43/1316889743.db2.gz FZCSHFZVULQEEZ-GUYCJALGSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001403949578 1365091343 /nfs/dbraw/zinc/09/13/43/1365091343.db2.gz LDYUBJBNMQBBRC-INIZCTEOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001403949578 1365091347 /nfs/dbraw/zinc/09/13/47/1365091347.db2.gz LDYUBJBNMQBBRC-INIZCTEOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CC[NH+]1CCCCC1 ZINC001340264343 1332164106 /nfs/dbraw/zinc/16/41/06/1332164106.db2.gz OPIIJWHAABFENV-KRWDZBQOSA-N 2 2 346.523 2.543 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CC[NH+]1CCCCC1 ZINC001340264343 1332164109 /nfs/dbraw/zinc/16/41/09/1332164109.db2.gz OPIIJWHAABFENV-KRWDZBQOSA-N 2 2 346.523 2.543 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001341605421 1332270597 /nfs/dbraw/zinc/27/05/97/1332270597.db2.gz OBNRQSAKFQUTGS-QFBILLFUSA-N 2 2 345.487 2.584 20 30 EFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001351614959 1333256764 /nfs/dbraw/zinc/25/67/64/1333256764.db2.gz CAQWYECEOPGBDZ-QGZVFWFLSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001351614959 1333256768 /nfs/dbraw/zinc/25/67/68/1333256768.db2.gz CAQWYECEOPGBDZ-QGZVFWFLSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001351614959 1333256769 /nfs/dbraw/zinc/25/67/69/1333256769.db2.gz CAQWYECEOPGBDZ-QGZVFWFLSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001351614959 1333256773 /nfs/dbraw/zinc/25/67/73/1333256773.db2.gz CAQWYECEOPGBDZ-QGZVFWFLSA-N 2 2 346.523 2.541 20 30 EFEDLP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686385 1334576262 /nfs/dbraw/zinc/57/62/62/1334576262.db2.gz FYPILYVOWQCANG-OPQOLIRYSA-N 2 2 346.519 2.978 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929566 1334994344 /nfs/dbraw/zinc/99/43/44/1334994344.db2.gz GZYDBTQVSXIZDD-HKUYNNGSSA-N 2 2 343.471 2.664 20 30 EFEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929566 1334994347 /nfs/dbraw/zinc/99/43/47/1334994347.db2.gz GZYDBTQVSXIZDD-HKUYNNGSSA-N 2 2 343.471 2.664 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001368130787 1339208040 /nfs/dbraw/zinc/20/80/40/1339208040.db2.gz ZRGAXKZTRBJYFW-UHFFFAOYSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001368130787 1339208042 /nfs/dbraw/zinc/20/80/42/1339208042.db2.gz ZRGAXKZTRBJYFW-UHFFFAOYSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@@H]1C ZINC001373907847 1341198647 /nfs/dbraw/zinc/19/86/47/1341198647.db2.gz YGDRHMNHDIKGHR-GUYCJALGSA-N 2 2 338.883 2.750 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001374495160 1341975518 /nfs/dbraw/zinc/97/55/18/1341975518.db2.gz ZNSQXTYYNFSCKC-INIZCTEOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001374495160 1341975520 /nfs/dbraw/zinc/97/55/20/1341975520.db2.gz ZNSQXTYYNFSCKC-INIZCTEOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374495160 1341975522 /nfs/dbraw/zinc/97/55/22/1341975522.db2.gz ZNSQXTYYNFSCKC-INIZCTEOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001374495160 1341975523 /nfs/dbraw/zinc/97/55/23/1341975523.db2.gz ZNSQXTYYNFSCKC-INIZCTEOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001377623331 1344233550 /nfs/dbraw/zinc/23/35/50/1344233550.db2.gz QYEIVQGFLCVYJP-MRXNPFEDSA-N 2 2 335.879 2.670 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001393857761 1357216552 /nfs/dbraw/zinc/21/65/52/1357216552.db2.gz HLCCNDMXMDYUGL-AWEZNQCLSA-N 2 2 332.835 2.900 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001391609747 1355349796 /nfs/dbraw/zinc/34/97/96/1355349796.db2.gz CJTXJZKGKKBFNB-INIZCTEOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001391609747 1355349800 /nfs/dbraw/zinc/34/98/00/1355349800.db2.gz CJTXJZKGKKBFNB-INIZCTEOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001392198716 1355855217 /nfs/dbraw/zinc/85/52/17/1355855217.db2.gz UDNJHEGXBWZORG-CJNGLKHVSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001393393078 1356813270 /nfs/dbraw/zinc/81/32/70/1356813270.db2.gz XUZJHVAPWBYOKU-ZIAGYGMSSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001437301000 1387530221 /nfs/dbraw/zinc/53/02/21/1387530221.db2.gz HXLSHTTWGORFBF-OAHLLOKOSA-N 2 2 344.846 2.677 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001400771759 1362156210 /nfs/dbraw/zinc/15/62/10/1362156210.db2.gz RIYNZIXWWIGGDU-MRXNPFEDSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001400771756 1362156005 /nfs/dbraw/zinc/15/60/05/1362156005.db2.gz RIYNZIXWWIGGDU-INIZCTEOSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001400771756 1362156008 /nfs/dbraw/zinc/15/60/08/1362156008.db2.gz RIYNZIXWWIGGDU-INIZCTEOSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001400771759 1362156207 /nfs/dbraw/zinc/15/62/07/1362156207.db2.gz RIYNZIXWWIGGDU-MRXNPFEDSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001401459241 1362839937 /nfs/dbraw/zinc/83/99/37/1362839937.db2.gz CJWRCFCPIKNNRC-HOTGVXAUSA-N 2 2 346.862 2.883 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)c1sccc1C[NH+](C)C ZINC001492964084 1368895131 /nfs/dbraw/zinc/89/51/31/1368895131.db2.gz GSRBPLCATNLKOU-UHFFFAOYSA-N 2 2 329.897 2.614 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sccc1C[NH+](C)C ZINC001492964084 1368895136 /nfs/dbraw/zinc/89/51/36/1368895136.db2.gz GSRBPLCATNLKOU-UHFFFAOYSA-N 2 2 329.897 2.614 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001437866310 1388155039 /nfs/dbraw/zinc/15/50/39/1388155039.db2.gz LKSCBNIFSFUMAV-KRWDZBQOSA-N 2 2 335.879 2.670 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001437866310 1388155044 /nfs/dbraw/zinc/15/50/44/1388155044.db2.gz LKSCBNIFSFUMAV-KRWDZBQOSA-N 2 2 335.879 2.670 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001421635173 1378920429 /nfs/dbraw/zinc/92/04/29/1378920429.db2.gz PBFUYPLNZDEZLS-JKSUJKDBSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001421635173 1378920441 /nfs/dbraw/zinc/92/04/41/1378920441.db2.gz PBFUYPLNZDEZLS-JKSUJKDBSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001421635173 1378920449 /nfs/dbraw/zinc/92/04/49/1378920449.db2.gz PBFUYPLNZDEZLS-JKSUJKDBSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001438777777 1388806549 /nfs/dbraw/zinc/80/65/49/1388806549.db2.gz XTOJDOYJNZPGMK-HZPDHXFCSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001440131314 1389403508 /nfs/dbraw/zinc/40/35/08/1389403508.db2.gz YEJJWORVDGIZQC-WKILWMFISA-N 2 2 338.883 2.538 20 30 EFEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001493878862 1398947035 /nfs/dbraw/zinc/94/70/35/1398947035.db2.gz QLKOSWAEPZDCCC-PMACEKPBSA-N 2 2 341.499 2.674 20 30 EFEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001493878862 1398947041 /nfs/dbraw/zinc/94/70/41/1398947041.db2.gz QLKOSWAEPZDCCC-PMACEKPBSA-N 2 2 341.499 2.674 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001505469427 1404701697 /nfs/dbraw/zinc/70/16/97/1404701697.db2.gz PLDQZSBFZBWVEY-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001505469427 1404701703 /nfs/dbraw/zinc/70/17/03/1404701703.db2.gz PLDQZSBFZBWVEY-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001505469427 1404701708 /nfs/dbraw/zinc/70/17/08/1404701708.db2.gz PLDQZSBFZBWVEY-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001505469427 1404701714 /nfs/dbraw/zinc/70/17/14/1404701714.db2.gz PLDQZSBFZBWVEY-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163992 713647817 /nfs/dbraw/zinc/64/78/17/713647817.db2.gz GSXDBPCMLJUWAP-SJORKVTESA-N 2 2 342.487 2.576 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163992 713647818 /nfs/dbraw/zinc/64/78/18/713647818.db2.gz GSXDBPCMLJUWAP-SJORKVTESA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557329 717936450 /nfs/dbraw/zinc/93/64/50/717936450.db2.gz RLNGGYAHHYAPOE-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557329 717936455 /nfs/dbraw/zinc/93/64/55/717936455.db2.gz RLNGGYAHHYAPOE-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222187 714032172 /nfs/dbraw/zinc/03/21/72/714032172.db2.gz CGPPZQNFFNSXBO-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222187 714032175 /nfs/dbraw/zinc/03/21/75/714032175.db2.gz CGPPZQNFFNSXBO-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576001 714121490 /nfs/dbraw/zinc/12/14/90/714121490.db2.gz QBCHLSCNYDYNJD-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576001 714121512 /nfs/dbraw/zinc/12/15/12/714121512.db2.gz QBCHLSCNYDYNJD-DLBZAZTESA-N 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C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723993 714371650 /nfs/dbraw/zinc/37/16/50/714371650.db2.gz HRNZEEAKHUOJDX-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947436341 714419190 /nfs/dbraw/zinc/41/91/90/714419190.db2.gz HPSXHZSARFCQNT-NVXWUHKLSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947436341 714419193 /nfs/dbraw/zinc/41/91/93/714419193.db2.gz HPSXHZSARFCQNT-NVXWUHKLSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971627290 714754670 /nfs/dbraw/zinc/75/46/70/714754670.db2.gz QADFWTCZCFYBMK-CQSZACIVSA-N 2 2 341.908 2.709 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971627290 714754673 /nfs/dbraw/zinc/75/46/73/714754673.db2.gz QADFWTCZCFYBMK-CQSZACIVSA-N 2 2 341.908 2.709 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506443 715682503 /nfs/dbraw/zinc/68/25/03/715682503.db2.gz QFJAZBMXKLHSKQ-DZGCQCFKSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506443 715682507 /nfs/dbraw/zinc/68/25/07/715682507.db2.gz QFJAZBMXKLHSKQ-DZGCQCFKSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429076 716213911 /nfs/dbraw/zinc/21/39/11/716213911.db2.gz RMDUSGWGZBGHQS-MRXNPFEDSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429076 716213915 /nfs/dbraw/zinc/21/39/15/716213915.db2.gz RMDUSGWGZBGHQS-MRXNPFEDSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452284 716486470 /nfs/dbraw/zinc/48/64/70/716486470.db2.gz WYNHUWZYVDGDFW-IAGOWNOFSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452284 716486475 /nfs/dbraw/zinc/48/64/75/716486475.db2.gz WYNHUWZYVDGDFW-IAGOWNOFSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452284 716486480 /nfs/dbraw/zinc/48/64/80/716486480.db2.gz WYNHUWZYVDGDFW-IAGOWNOFSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452284 716486486 /nfs/dbraw/zinc/48/64/86/716486486.db2.gz WYNHUWZYVDGDFW-IAGOWNOFSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601357 716923649 /nfs/dbraw/zinc/92/36/49/716923649.db2.gz YVCYTJQOVBSGDQ-HNNXBMFYSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601357 716923652 /nfs/dbraw/zinc/92/36/52/716923652.db2.gz YVCYTJQOVBSGDQ-HNNXBMFYSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979972504 717625921 /nfs/dbraw/zinc/62/59/21/717625921.db2.gz AZCGTGOXPJAGDZ-XIRDDKMYSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979972504 717625924 /nfs/dbraw/zinc/62/59/24/717625924.db2.gz AZCGTGOXPJAGDZ-XIRDDKMYSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979990875 717640354 /nfs/dbraw/zinc/64/03/54/717640354.db2.gz RTMXMFHNYAQBCF-BZSNNMDCSA-N 2 2 344.503 2.719 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC000979990875 717640359 /nfs/dbraw/zinc/64/03/59/717640359.db2.gz RTMXMFHNYAQBCF-BZSNNMDCSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883313 717787160 /nfs/dbraw/zinc/78/71/60/717787160.db2.gz JMMBIRDTUYBAJY-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883313 717787161 /nfs/dbraw/zinc/78/71/61/717787161.db2.gz JMMBIRDTUYBAJY-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980142004 717787976 /nfs/dbraw/zinc/78/79/76/717787976.db2.gz LRUQKKNSZZOACW-YESZJQIVSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980142004 717787981 /nfs/dbraw/zinc/78/79/81/717787981.db2.gz LRUQKKNSZZOACW-YESZJQIVSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502697 717831788 /nfs/dbraw/zinc/83/17/88/717831788.db2.gz QEHHQNKASWFDNI-MRXNPFEDSA-N 2 2 339.911 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502697 717831791 /nfs/dbraw/zinc/83/17/91/717831791.db2.gz QEHHQNKASWFDNI-MRXNPFEDSA-N 2 2 339.911 2.586 20 30 EFEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C1 ZINC000980157897 717841027 /nfs/dbraw/zinc/84/10/27/717841027.db2.gz BRKBJHLYZCQEBI-GBESFXJTSA-N 2 2 339.483 2.860 20 30 EFEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C1 ZINC000980157897 717841031 /nfs/dbraw/zinc/84/10/31/717841031.db2.gz BRKBJHLYZCQEBI-GBESFXJTSA-N 2 2 339.483 2.860 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024736627 718118997 /nfs/dbraw/zinc/11/89/97/718118997.db2.gz DBANWSDSBSUUBZ-QGZVFWFLSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024736627 718118999 /nfs/dbraw/zinc/11/89/99/718118999.db2.gz DBANWSDSBSUUBZ-QGZVFWFLSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238294 718455981 /nfs/dbraw/zinc/45/59/81/718455981.db2.gz QXYBJKHEVJELLF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025238294 718455983 /nfs/dbraw/zinc/45/59/83/718455983.db2.gz QXYBJKHEVJELLF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238294 718455984 /nfs/dbraw/zinc/45/59/84/718455984.db2.gz QXYBJKHEVJELLF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025238294 718455985 /nfs/dbraw/zinc/45/59/85/718455985.db2.gz QXYBJKHEVJELLF-MSOLQXFVSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253763 718479747 /nfs/dbraw/zinc/47/97/47/718479747.db2.gz BFJFKOAKGAUDIJ-MSOLQXFVSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253763 718479750 /nfs/dbraw/zinc/47/97/50/718479750.db2.gz BFJFKOAKGAUDIJ-MSOLQXFVSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254395 718480969 /nfs/dbraw/zinc/48/09/69/718480969.db2.gz ISCROOLPYOYMLB-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254395 718480971 /nfs/dbraw/zinc/48/09/71/718480971.db2.gz ISCROOLPYOYMLB-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273466 718509261 /nfs/dbraw/zinc/50/92/61/718509261.db2.gz FPYOCLFISWCOCW-JKSUJKDBSA-N 2 2 336.867 2.550 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273466 718509264 /nfs/dbraw/zinc/50/92/64/718509264.db2.gz FPYOCLFISWCOCW-JKSUJKDBSA-N 2 2 336.867 2.550 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025292649 718533158 /nfs/dbraw/zinc/53/31/58/718533158.db2.gz LAOLNYLYWREYKA-ZWKOTPCHSA-N 2 2 330.476 2.682 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025292649 718533161 /nfs/dbraw/zinc/53/31/61/718533161.db2.gz LAOLNYLYWREYKA-ZWKOTPCHSA-N 2 2 330.476 2.682 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300250 718546122 /nfs/dbraw/zinc/54/61/22/718546122.db2.gz ALYUXTTZRYEXIE-ROUUACIJSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300250 718546126 /nfs/dbraw/zinc/54/61/26/718546126.db2.gz ALYUXTTZRYEXIE-ROUUACIJSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492740 719020518 /nfs/dbraw/zinc/02/05/18/719020518.db2.gz DSVVLJRADDKXEM-WMZOPIPTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492740 719020523 /nfs/dbraw/zinc/02/05/23/719020523.db2.gz DSVVLJRADDKXEM-WMZOPIPTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137263 719113198 /nfs/dbraw/zinc/11/31/98/719113198.db2.gz IDUDBNOESDSLMO-GOSISDBHSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137263 719113203 /nfs/dbraw/zinc/11/32/03/719113203.db2.gz IDUDBNOESDSLMO-GOSISDBHSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981874720 719154893 /nfs/dbraw/zinc/15/48/93/719154893.db2.gz VIAKHMZADFCHEJ-UHFFFAOYSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981874720 719154894 /nfs/dbraw/zinc/15/48/94/719154894.db2.gz VIAKHMZADFCHEJ-UHFFFAOYSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005050 719429114 /nfs/dbraw/zinc/42/91/14/719429114.db2.gz FTNLBNVBPWSBHG-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005050 719429116 /nfs/dbraw/zinc/42/91/16/719429116.db2.gz FTNLBNVBPWSBHG-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000986279237 724626350 /nfs/dbraw/zinc/62/63/50/724626350.db2.gz KAOPWNDLMOFAEA-ZFWWWQNUSA-N 2 2 332.835 2.588 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]12 ZINC001026267866 720080459 /nfs/dbraw/zinc/08/04/59/720080459.db2.gz RLEPLSVARNTIEX-FGTMMUONSA-N 2 2 338.455 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]12 ZINC001026267867 720080520 /nfs/dbraw/zinc/08/05/20/720080520.db2.gz RLEPLSVARNTIEX-KZNAEPCWSA-N 2 2 338.455 2.659 20 30 EFEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974583750 721188598 /nfs/dbraw/zinc/18/85/98/721188598.db2.gz OLQXMTFLPDKGDI-INIZCTEOSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974583750 721188600 /nfs/dbraw/zinc/18/86/00/721188600.db2.gz OLQXMTFLPDKGDI-INIZCTEOSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974753228 721407221 /nfs/dbraw/zinc/40/72/21/721407221.db2.gz QNTVBNOSVLARJU-MAUKXSAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974753228 721407225 /nfs/dbraw/zinc/40/72/25/721407225.db2.gz QNTVBNOSVLARJU-MAUKXSAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974753228 721407226 /nfs/dbraw/zinc/40/72/26/721407226.db2.gz QNTVBNOSVLARJU-MAUKXSAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974753228 721407230 /nfs/dbraw/zinc/40/72/30/721407230.db2.gz QNTVBNOSVLARJU-MAUKXSAKSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000985723449 724830064 /nfs/dbraw/zinc/83/00/64/724830064.db2.gz BXXUDAQARAOZSW-UHFFFAOYSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000985723449 724830068 /nfs/dbraw/zinc/83/00/68/724830068.db2.gz BXXUDAQARAOZSW-UHFFFAOYSA-N 2 2 338.455 2.985 20 30 EFEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992029771 725473518 /nfs/dbraw/zinc/47/35/18/725473518.db2.gz JACKCITUAFEQBM-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992029771 725473521 /nfs/dbraw/zinc/47/35/21/725473521.db2.gz JACKCITUAFEQBM-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992165381 725578508 /nfs/dbraw/zinc/57/85/08/725578508.db2.gz DXJFFKMVOYPONN-URLQWDBASA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992165381 725578513 /nfs/dbraw/zinc/57/85/13/725578513.db2.gz DXJFFKMVOYPONN-URLQWDBASA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992168120 725580895 /nfs/dbraw/zinc/58/08/95/725580895.db2.gz MVUMFRMKRXNTJV-OXFYSEKESA-N 2 2 342.487 2.909 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992168120 725580896 /nfs/dbraw/zinc/58/08/96/725580896.db2.gz MVUMFRMKRXNTJV-OXFYSEKESA-N 2 2 342.487 2.909 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992239040 725638375 /nfs/dbraw/zinc/63/83/75/725638375.db2.gz HSNZUZLBLRRQLQ-HBXLWWENSA-N 2 2 342.487 2.603 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992239040 725638378 /nfs/dbraw/zinc/63/83/78/725638378.db2.gz HSNZUZLBLRRQLQ-HBXLWWENSA-N 2 2 342.487 2.603 20 30 EFEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC000992688759 726115557 /nfs/dbraw/zinc/11/55/57/726115557.db2.gz KNKSBBBMNWVWRO-FGTMMUONSA-N 2 2 338.455 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000992742681 726158148 /nfs/dbraw/zinc/15/81/48/726158148.db2.gz FJJFOGIHWBRCSU-GVDBMIGSSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993402071 727208698 /nfs/dbraw/zinc/20/86/98/727208698.db2.gz YNIRRVYZWFMGIS-GOEBONIOSA-N 2 2 335.517 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993402071 727208700 /nfs/dbraw/zinc/20/87/00/727208700.db2.gz YNIRRVYZWFMGIS-GOEBONIOSA-N 2 2 335.517 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991445939 727821395 /nfs/dbraw/zinc/82/13/95/727821395.db2.gz KBWUMRJKZLXUSN-ILZDJORESA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991445939 727821398 /nfs/dbraw/zinc/82/13/98/727821398.db2.gz KBWUMRJKZLXUSN-ILZDJORESA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991446006 727821723 /nfs/dbraw/zinc/82/17/23/727821723.db2.gz KBWUMRJKZLXUSN-YVWKXTFCSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991446006 727821725 /nfs/dbraw/zinc/82/17/25/727821725.db2.gz KBWUMRJKZLXUSN-YVWKXTFCSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991475962 727888785 /nfs/dbraw/zinc/88/87/85/727888785.db2.gz UPDSTVGJZLEOFC-YVWKXTFCSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991475962 727888791 /nfs/dbraw/zinc/88/87/91/727888791.db2.gz UPDSTVGJZLEOFC-YVWKXTFCSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991630559 728182565 /nfs/dbraw/zinc/18/25/65/728182565.db2.gz ZQBPHQAIKSJEPP-FUHWJXTLSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991630559 728182567 /nfs/dbraw/zinc/18/25/67/728182567.db2.gz ZQBPHQAIKSJEPP-FUHWJXTLSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991630558 728182602 /nfs/dbraw/zinc/18/26/02/728182602.db2.gz ZQBPHQAIKSJEPP-AEFFLSMTSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991630558 728182604 /nfs/dbraw/zinc/18/26/04/728182604.db2.gz ZQBPHQAIKSJEPP-AEFFLSMTSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942182990 728347458 /nfs/dbraw/zinc/34/74/58/728347458.db2.gz DMMKOAHJIBJYLF-SMDDNHRTSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942182990 728347460 /nfs/dbraw/zinc/34/74/60/728347460.db2.gz DMMKOAHJIBJYLF-SMDDNHRTSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334004 728350235 /nfs/dbraw/zinc/35/02/35/728350235.db2.gz HYVFYORHZCYNFC-IAGOWNOFSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334004 728350236 /nfs/dbraw/zinc/35/02/36/728350236.db2.gz HYVFYORHZCYNFC-IAGOWNOFSA-N 2 2 344.503 2.697 20 30 EFEDLP C[NH+]=C(NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)NC1CC1 ZINC000183887890 728382793 /nfs/dbraw/zinc/38/27/93/728382793.db2.gz ICVVBADBXKNJRS-CQSZACIVSA-N 2 2 328.382 2.636 20 30 EFEDLP CC(C)CNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891100 728383373 /nfs/dbraw/zinc/38/33/73/728383373.db2.gz WHWZABDUYRORBN-CQSZACIVSA-N 2 2 330.398 2.868 20 30 EFEDLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001576385192 1089170515 /nfs/dbraw/zinc/17/05/15/1089170515.db2.gz YJDDPFMQUXTNSE-GJZGRUSLSA-N 2 2 346.500 2.543 20 30 EFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001579581012 1090637015 /nfs/dbraw/zinc/63/70/15/1090637015.db2.gz CIHYLEJBKZPFDX-QXAKKESOSA-N 2 2 342.487 2.798 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460071 1093269295 /nfs/dbraw/zinc/26/92/95/1093269295.db2.gz JDVBJVONLVNOER-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460071 1093269302 /nfs/dbraw/zinc/26/93/02/1093269302.db2.gz JDVBJVONLVNOER-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460072 1093270070 /nfs/dbraw/zinc/27/00/70/1093270070.db2.gz JDVBJVONLVNOER-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460072 1093270075 /nfs/dbraw/zinc/27/00/75/1093270075.db2.gz JDVBJVONLVNOER-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021483 1094698930 /nfs/dbraw/zinc/69/89/30/1094698930.db2.gz PJRDHYMYBWKRDA-BJLQDIEVSA-N 2 2 344.503 2.989 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021483 1094698933 /nfs/dbraw/zinc/69/89/33/1094698933.db2.gz PJRDHYMYBWKRDA-BJLQDIEVSA-N 2 2 344.503 2.989 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738388 1094796677 /nfs/dbraw/zinc/79/66/77/1094796677.db2.gz STYHMGAXRWGRIV-FGTMMUONSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087293157 1095023623 /nfs/dbraw/zinc/02/36/23/1095023623.db2.gz ZGEFLMKLIKDHRE-JLSDUUJJSA-N 2 2 338.455 2.968 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087293157 1095023637 /nfs/dbraw/zinc/02/36/37/1095023637.db2.gz ZGEFLMKLIKDHRE-JLSDUUJJSA-N 2 2 338.455 2.968 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309718 1095234719 /nfs/dbraw/zinc/23/47/19/1095234719.db2.gz KTELEVLPSVQNDR-JLSDUUJJSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309718 1095234725 /nfs/dbraw/zinc/23/47/25/1095234725.db2.gz KTELEVLPSVQNDR-JLSDUUJJSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087313229 1095259705 /nfs/dbraw/zinc/25/97/05/1095259705.db2.gz QXJIUCDJELGGFT-QRQLOZEOSA-N 2 2 344.503 2.534 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087313229 1095259720 /nfs/dbraw/zinc/25/97/20/1095259720.db2.gz QXJIUCDJELGGFT-QRQLOZEOSA-N 2 2 344.503 2.534 20 30 EFEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000981920232 1095609206 /nfs/dbraw/zinc/60/92/06/1095609206.db2.gz FBSPODAIDCURFZ-UHFFFAOYSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000981920232 1095609214 /nfs/dbraw/zinc/60/92/14/1095609214.db2.gz FBSPODAIDCURFZ-UHFFFAOYSA-N 2 2 336.439 2.596 20 30 EFEDLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001480983353 1095660401 /nfs/dbraw/zinc/66/04/01/1095660401.db2.gz YIIVUFORMCUHMZ-UHFFFAOYSA-N 2 2 347.422 2.686 20 30 EFEDLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001480983353 1095660407 /nfs/dbraw/zinc/66/04/07/1095660407.db2.gz YIIVUFORMCUHMZ-UHFFFAOYSA-N 2 2 347.422 2.686 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001270228438 1098830063 /nfs/dbraw/zinc/83/00/63/1098830063.db2.gz LEYIHSICWCQBDO-QZTJIDSGSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104908889 1098981775 /nfs/dbraw/zinc/98/17/75/1098981775.db2.gz OWOOPVQQKYTCJL-TZMCWYRMSA-N 2 2 338.883 2.514 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966574 1099200316 /nfs/dbraw/zinc/20/03/16/1099200316.db2.gz BXIGUKMBHUUNGN-KZNAEPCWSA-N 2 2 346.519 2.782 20 30 EFEDLP CCOC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002073 1099957644 /nfs/dbraw/zinc/95/76/44/1099957644.db2.gz DBISFPKPXCOGAH-JWTNVVGKSA-N 2 2 345.487 2.561 20 30 EFEDLP CCOC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002073 1099957652 /nfs/dbraw/zinc/95/76/52/1099957652.db2.gz DBISFPKPXCOGAH-JWTNVVGKSA-N 2 2 345.487 2.561 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001482389014 1099979201 /nfs/dbraw/zinc/97/92/01/1099979201.db2.gz HOCTWARQNRJDRR-CQSZACIVSA-N 2 2 334.851 2.821 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001168041976 1101132174 /nfs/dbraw/zinc/13/21/74/1101132174.db2.gz XEIOHRFNHTVLJT-MKSNKDDYSA-N 2 2 347.503 2.938 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101962 1101548467 /nfs/dbraw/zinc/54/84/67/1101548467.db2.gz JIFKSJAYJPUJSO-IKGGRYGDSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101962 1101548479 /nfs/dbraw/zinc/54/84/79/1101548479.db2.gz JIFKSJAYJPUJSO-IKGGRYGDSA-N 2 2 342.487 2.576 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271397 1102211012 /nfs/dbraw/zinc/21/10/12/1102211012.db2.gz OVEWAXKJOQTGQS-GVDBMIGSSA-N 2 2 344.503 2.754 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274254 1102430991 /nfs/dbraw/zinc/43/09/91/1102430991.db2.gz KHDJHPMANYZYDF-IXDOHACOSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274254 1102430995 /nfs/dbraw/zinc/43/09/95/1102430995.db2.gz KHDJHPMANYZYDF-IXDOHACOSA-N 2 2 332.492 2.771 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380770 1103316722 /nfs/dbraw/zinc/31/67/22/1103316722.db2.gz OURPTOUSCJFSFV-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380768 1103318764 /nfs/dbraw/zinc/31/87/64/1103318764.db2.gz OURPTOUSCJFSFV-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001088431722 1103590850 /nfs/dbraw/zinc/59/08/50/1103590850.db2.gz DZLSJWPCMFZOBW-RTBURBONSA-N 2 2 344.503 2.621 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168380784 1104138160 /nfs/dbraw/zinc/13/81/60/1104138160.db2.gz UHFVXQNBEJHDGJ-TZIWHRDSSA-N 2 2 348.531 2.935 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168380784 1104138165 /nfs/dbraw/zinc/13/81/65/1104138165.db2.gz UHFVXQNBEJHDGJ-TZIWHRDSSA-N 2 2 348.531 2.935 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688237 1105786793 /nfs/dbraw/zinc/78/67/93/1105786793.db2.gz AIADTIDDLRTMAT-CJNGLKHVSA-N 2 2 332.835 2.588 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688237 1105786794 /nfs/dbraw/zinc/78/67/94/1105786794.db2.gz AIADTIDDLRTMAT-CJNGLKHVSA-N 2 2 332.835 2.588 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544466 1105903429 /nfs/dbraw/zinc/90/34/29/1105903429.db2.gz KQWOGSXXYJQCRG-JFIYKMOQSA-N 2 2 342.487 2.840 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544466 1105903434 /nfs/dbraw/zinc/90/34/34/1105903434.db2.gz KQWOGSXXYJQCRG-JFIYKMOQSA-N 2 2 342.487 2.840 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)CCC1 ZINC001105551976 1105924679 /nfs/dbraw/zinc/92/46/79/1105924679.db2.gz SKHXDXOKHUXTJV-KRWDZBQOSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105575328 1105962214 /nfs/dbraw/zinc/96/22/14/1105962214.db2.gz YMTGVPFEHBZCSL-SFHVURJKSA-N 2 2 344.503 2.680 20 30 EFEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584591 1105970690 /nfs/dbraw/zinc/97/06/90/1105970690.db2.gz IOLUJRVWGCSNHJ-QGZVFWFLSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105585442 1105971548 /nfs/dbraw/zinc/97/15/48/1105971548.db2.gz PPSLNZXHTNPNIU-GOSISDBHSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989634559 1106498025 /nfs/dbraw/zinc/49/80/25/1106498025.db2.gz FNCAHHLXRBKLTE-HOCLYGCPSA-N 2 2 344.846 2.817 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064991 1106841440 /nfs/dbraw/zinc/84/14/40/1106841440.db2.gz MHKXKULPYXIUNC-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+]CC2([NH3+])CC2)cc1OC ZINC000904449758 1107948971 /nfs/dbraw/zinc/94/89/71/1107948971.db2.gz MJIDSCLDJAREON-UHFFFAOYSA-N 2 2 341.249 2.603 20 30 EFEDLP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC001272429377 1108279463 /nfs/dbraw/zinc/27/94/63/1108279463.db2.gz CODJEANAHJVVNI-HXUWFJFHSA-N 2 2 336.439 2.625 20 30 EFEDLP C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC001272429377 1108279473 /nfs/dbraw/zinc/27/94/73/1108279473.db2.gz CODJEANAHJVVNI-HXUWFJFHSA-N 2 2 336.439 2.625 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990716242 1108886669 /nfs/dbraw/zinc/88/66/69/1108886669.db2.gz XHOVWYCFOWJWRA-PXNSSMCTSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990716242 1108886678 /nfs/dbraw/zinc/88/66/78/1108886678.db2.gz XHOVWYCFOWJWRA-PXNSSMCTSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498550 1111586951 /nfs/dbraw/zinc/58/69/51/1111586951.db2.gz CEHULHVQLNBXFK-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874736 1111944403 /nfs/dbraw/zinc/94/44/03/1111944403.db2.gz RJYQYMYCBRAZGC-OWCLPIDISA-N 2 2 332.492 2.726 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419405 1112099620 /nfs/dbraw/zinc/09/96/20/1112099620.db2.gz FTZYTDVHMKAAEQ-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419405 1112099625 /nfs/dbraw/zinc/09/96/25/1112099625.db2.gz FTZYTDVHMKAAEQ-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421895 1112102777 /nfs/dbraw/zinc/10/27/77/1112102777.db2.gz ZHJGHUOVCYQYIM-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421895 1112102778 /nfs/dbraw/zinc/10/27/78/1112102778.db2.gz ZHJGHUOVCYQYIM-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421898 1112102923 /nfs/dbraw/zinc/10/29/23/1112102923.db2.gz ZHJGHUOVCYQYIM-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421898 1112102924 /nfs/dbraw/zinc/10/29/24/1112102924.db2.gz ZHJGHUOVCYQYIM-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659038 1112589076 /nfs/dbraw/zinc/58/90/76/1112589076.db2.gz RFXJQQKZBOVASP-CVEARBPZSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659038 1112589077 /nfs/dbraw/zinc/58/90/77/1112589077.db2.gz RFXJQQKZBOVASP-CVEARBPZSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659038 1112589079 /nfs/dbraw/zinc/58/90/79/1112589079.db2.gz RFXJQQKZBOVASP-CVEARBPZSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659038 1112589080 /nfs/dbraw/zinc/58/90/80/1112589080.db2.gz RFXJQQKZBOVASP-CVEARBPZSA-N 2 2 341.927 2.830 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660261 1112593405 /nfs/dbraw/zinc/59/34/05/1112593405.db2.gz GAQUXUJMQBCBFK-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089660261 1112593406 /nfs/dbraw/zinc/59/34/06/1112593406.db2.gz GAQUXUJMQBCBFK-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660688 1112595659 /nfs/dbraw/zinc/59/56/59/1112595659.db2.gz NWBWVFVQICUTGA-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660688 1112595660 /nfs/dbraw/zinc/59/56/60/1112595660.db2.gz NWBWVFVQICUTGA-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658763 1112599762 /nfs/dbraw/zinc/59/97/62/1112599762.db2.gz NEJZYABIWSYYOX-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658763 1112599765 /nfs/dbraw/zinc/59/97/65/1112599765.db2.gz NEJZYABIWSYYOX-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089661489 1112600899 /nfs/dbraw/zinc/60/08/99/1112600899.db2.gz XIZYICUQAGXTLN-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089661489 1112600901 /nfs/dbraw/zinc/60/09/01/1112600901.db2.gz XIZYICUQAGXTLN-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001484980003 1117921169 /nfs/dbraw/zinc/92/11/69/1117921169.db2.gz FNEPGNBHTNJBRI-GOEBONIOSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001484980003 1117921172 /nfs/dbraw/zinc/92/11/72/1117921172.db2.gz FNEPGNBHTNJBRI-GOEBONIOSA-N 2 2 338.883 2.693 20 30 EFEDLP C=CCCCCCC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272703088 1118685846 /nfs/dbraw/zinc/68/58/46/1118685846.db2.gz YZPFSHVSLAQKPY-FQEVSTJZSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCCCC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272703088 1118685849 /nfs/dbraw/zinc/68/58/49/1118685849.db2.gz YZPFSHVSLAQKPY-FQEVSTJZSA-N 2 2 344.503 2.944 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942487896 1118905856 /nfs/dbraw/zinc/90/58/56/1118905856.db2.gz XJBYFWMDDDASBE-JKSUJKDBSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942487896 1118905858 /nfs/dbraw/zinc/90/58/58/1118905858.db2.gz XJBYFWMDDDASBE-JKSUJKDBSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943519697 1119534093 /nfs/dbraw/zinc/53/40/93/1119534093.db2.gz YIOMXWBJKRXXAM-FUHWJXTLSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943519697 1119534097 /nfs/dbraw/zinc/53/40/97/1119534097.db2.gz YIOMXWBJKRXXAM-FUHWJXTLSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875570 1119766315 /nfs/dbraw/zinc/76/63/15/1119766315.db2.gz DTGHDUHETSWDRC-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875570 1119766317 /nfs/dbraw/zinc/76/63/17/1119766317.db2.gz DTGHDUHETSWDRC-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C[N@H+](CCCSCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260341 529896507 /nfs/dbraw/zinc/89/65/07/529896507.db2.gz XRGVHUSYYOJXIC-UHFFFAOYSA-N 2 2 332.517 2.667 20 30 EFEDLP C[N@@H+](CCCSCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260341 529896508 /nfs/dbraw/zinc/89/65/08/529896508.db2.gz XRGVHUSYYOJXIC-UHFFFAOYSA-N 2 2 332.517 2.667 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179639122 233267552 /nfs/dbraw/zinc/26/75/52/233267552.db2.gz BUQGQCLEOZCHLV-UHFFFAOYSA-N 2 2 345.450 2.914 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179639122 233267561 /nfs/dbraw/zinc/26/75/61/233267561.db2.gz BUQGQCLEOZCHLV-UHFFFAOYSA-N 2 2 345.450 2.914 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOCC3CC3)CC2)cc1 ZINC000181419482 234180446 /nfs/dbraw/zinc/18/04/46/234180446.db2.gz OIHCYUCFXGLQGK-UHFFFAOYSA-N 2 2 327.472 2.929 20 30 EFEDLP Cc1nnc([C@H](C)O[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)o1 ZINC000174131672 239219400 /nfs/dbraw/zinc/21/94/00/239219400.db2.gz YPDKQTFZOLAVML-ZDUSSCGKSA-N 2 2 343.431 2.762 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053940 240299065 /nfs/dbraw/zinc/29/90/65/240299065.db2.gz YHACJTDXQRBSHE-AABGKKOBSA-N 2 2 327.472 2.949 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000249053940 240299069 /nfs/dbraw/zinc/29/90/69/240299069.db2.gz YHACJTDXQRBSHE-AABGKKOBSA-N 2 2 327.472 2.949 20 30 EFEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451981 240255347 /nfs/dbraw/zinc/25/53/47/240255347.db2.gz QAAQHSVKWGKDSL-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451981 240255354 /nfs/dbraw/zinc/25/53/54/240255354.db2.gz QAAQHSVKWGKDSL-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451981 240255361 /nfs/dbraw/zinc/25/53/61/240255361.db2.gz QAAQHSVKWGKDSL-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451981 240255362 /nfs/dbraw/zinc/25/53/62/240255362.db2.gz QAAQHSVKWGKDSL-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247987818 240286521 /nfs/dbraw/zinc/28/65/21/240286521.db2.gz IZZDKHGDADZATJ-SXLOBPIMSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247987818 240286526 /nfs/dbraw/zinc/28/65/26/240286526.db2.gz IZZDKHGDADZATJ-SXLOBPIMSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247987818 240286532 /nfs/dbraw/zinc/28/65/32/240286532.db2.gz IZZDKHGDADZATJ-SXLOBPIMSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247987818 240286536 /nfs/dbraw/zinc/28/65/36/240286536.db2.gz IZZDKHGDADZATJ-SXLOBPIMSA-N 2 2 341.499 2.664 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000261990902 240334690 /nfs/dbraw/zinc/33/46/90/240334690.db2.gz LXFSGIHQWXAUKS-UHFFFAOYSA-N 2 2 347.850 2.851 20 30 EFEDLP COc1cccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000261984754 240337159 /nfs/dbraw/zinc/33/71/59/240337159.db2.gz JLERMLKXNJUKNR-UHFFFAOYSA-N 2 2 330.457 2.542 20 30 EFEDLP COc1cccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)c1 ZINC000261984754 240337169 /nfs/dbraw/zinc/33/71/69/240337169.db2.gz JLERMLKXNJUKNR-UHFFFAOYSA-N 2 2 330.457 2.542 20 30 EFEDLP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262003477 240340798 /nfs/dbraw/zinc/34/07/98/240340798.db2.gz UYYNLCBNKPWTKB-IUODEOHRSA-N 2 2 346.504 2.615 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1cccc(Cl)c1 ZINC000262812984 240370426 /nfs/dbraw/zinc/37/04/26/240370426.db2.gz UXAPNJPOYGEUDW-GFCCVEGCSA-N 2 2 348.882 2.566 20 30 EFEDLP O=C(NC[C@H]1CCCn2cc[nH+]c21)NC1CC[NH+](C2CCCC2)CC1 ZINC000328604542 241207239 /nfs/dbraw/zinc/20/72/39/241207239.db2.gz IRRRQNKSAIAVCX-OAHLLOKOSA-N 2 2 345.491 2.671 20 30 EFEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC([NH+]2CCCCC2)CC1 ZINC000328605318 241207903 /nfs/dbraw/zinc/20/79/03/241207903.db2.gz JKKOZJMCVHSWCV-INIZCTEOSA-N 2 2 345.491 2.625 20 30 EFEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)CCC2 ZINC000328659646 241214030 /nfs/dbraw/zinc/21/40/30/241214030.db2.gz TXRKTHPUMMFKRC-AQFXKWCLSA-N 2 2 347.507 2.693 20 30 EFEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000329189285 241321891 /nfs/dbraw/zinc/32/18/91/241321891.db2.gz PPFDUBJNMLZSLN-TZMCWYRMSA-N 2 2 345.472 2.999 20 30 EFEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000329189285 241321896 /nfs/dbraw/zinc/32/18/96/241321896.db2.gz PPFDUBJNMLZSLN-TZMCWYRMSA-N 2 2 345.472 2.999 20 30 EFEDLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)cn2c1 ZINC000329261193 241335458 /nfs/dbraw/zinc/33/54/58/241335458.db2.gz ZDFASQGRYKNIJP-RDJZCZTQSA-N 2 2 341.459 2.615 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744549 242046241 /nfs/dbraw/zinc/04/62/41/242046241.db2.gz MYNZKDJRXDPGGA-RXVVDRJESA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744549 242046246 /nfs/dbraw/zinc/04/62/46/242046246.db2.gz MYNZKDJRXDPGGA-RXVVDRJESA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355744549 242046248 /nfs/dbraw/zinc/04/62/48/242046248.db2.gz MYNZKDJRXDPGGA-RXVVDRJESA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355744549 242046253 /nfs/dbraw/zinc/04/62/53/242046253.db2.gz MYNZKDJRXDPGGA-RXVVDRJESA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356578361 242075317 /nfs/dbraw/zinc/07/53/17/242075317.db2.gz OPBGTAMIRFMAOI-OALUTQOASA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356578361 242075323 /nfs/dbraw/zinc/07/53/23/242075323.db2.gz OPBGTAMIRFMAOI-OALUTQOASA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356578361 242075331 /nfs/dbraw/zinc/07/53/31/242075331.db2.gz OPBGTAMIRFMAOI-OALUTQOASA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356578361 242075337 /nfs/dbraw/zinc/07/53/37/242075337.db2.gz OPBGTAMIRFMAOI-OALUTQOASA-N 2 2 333.520 2.773 20 30 EFEDLP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)O1 ZINC000414267129 244068308 /nfs/dbraw/zinc/06/83/08/244068308.db2.gz SMIQHDSYZCOXOZ-GPMSIDNRSA-N 2 2 327.472 2.926 20 30 EFEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922633 284353336 /nfs/dbraw/zinc/35/33/36/284353336.db2.gz VCVDPALXKXHUGA-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922633 284353339 /nfs/dbraw/zinc/35/33/39/284353339.db2.gz VCVDPALXKXHUGA-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922633 284353342 /nfs/dbraw/zinc/35/33/42/284353342.db2.gz VCVDPALXKXHUGA-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922633 284353344 /nfs/dbraw/zinc/35/33/44/284353344.db2.gz VCVDPALXKXHUGA-ZWKOTPCHSA-N 2 2 342.487 2.595 20 30 EFEDLP C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422216488 246304934 /nfs/dbraw/zinc/30/49/34/246304934.db2.gz ZDRCPDXIHSYCHL-QGZVFWFLSA-N 2 2 336.524 2.543 20 30 EFEDLP C=CC[C@@H](CC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422216488 246304938 /nfs/dbraw/zinc/30/49/38/246304938.db2.gz ZDRCPDXIHSYCHL-QGZVFWFLSA-N 2 2 336.524 2.543 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000442711223 250106366 /nfs/dbraw/zinc/10/63/66/250106366.db2.gz DSTPFTVISGBQBS-RBUKOAKNSA-N 2 2 326.488 2.789 20 30 EFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000449525027 251052476 /nfs/dbraw/zinc/05/24/76/251052476.db2.gz QIMKGAMBUNFPPV-FXAWDEMLSA-N 2 2 340.471 2.891 20 30 EFEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000174352605 533444105 /nfs/dbraw/zinc/44/41/05/533444105.db2.gz RPJSLADHSVRUFU-CQSZACIVSA-N 2 2 342.418 2.893 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356572967 533499383 /nfs/dbraw/zinc/49/93/83/533499383.db2.gz HBSSQOJMOIIIOM-MOPGFXCFSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356572967 533499386 /nfs/dbraw/zinc/49/93/86/533499386.db2.gz HBSSQOJMOIIIOM-MOPGFXCFSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356572967 533499389 /nfs/dbraw/zinc/49/93/89/533499389.db2.gz HBSSQOJMOIIIOM-MOPGFXCFSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356572967 533499394 /nfs/dbraw/zinc/49/93/94/533499394.db2.gz HBSSQOJMOIIIOM-MOPGFXCFSA-N 2 2 335.536 2.997 20 30 EFEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1C#N ZINC000174276963 533659130 /nfs/dbraw/zinc/65/91/30/533659130.db2.gz FHQJWNYPJKPGHP-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP N#Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000344550123 142038836 /nfs/dbraw/zinc/03/88/36/142038836.db2.gz FDJIYHGZWLXWRJ-IEBWSBKVSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000344550123 142038838 /nfs/dbraw/zinc/03/88/38/142038838.db2.gz FDJIYHGZWLXWRJ-IEBWSBKVSA-N 2 2 341.480 2.592 20 30 EFEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(C#N)cs3)[nH+]c2)C1 ZINC000344979572 142106704 /nfs/dbraw/zinc/10/67/04/142106704.db2.gz DVJRLOFBDZAEDO-HNNXBMFYSA-N 2 2 327.457 2.767 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCC(F)(F)F)CC2)cc1 ZINC000344064575 145359091 /nfs/dbraw/zinc/35/90/91/145359091.db2.gz PLUQMQWYJPKFIZ-UHFFFAOYSA-N 2 2 341.377 2.691 20 30 EFEDLP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344151971 145380612 /nfs/dbraw/zinc/38/06/12/145380612.db2.gz XMOPTGMWUAHOGF-QFBILLFUSA-N 2 2 329.488 2.909 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174375 145385235 /nfs/dbraw/zinc/38/52/35/145385235.db2.gz QRQNDBBBXHTOLE-JXFKEZNVSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174375 145385237 /nfs/dbraw/zinc/38/52/37/145385237.db2.gz QRQNDBBBXHTOLE-JXFKEZNVSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352810685 146322278 /nfs/dbraw/zinc/32/22/78/146322278.db2.gz OEKCLVMOQWQGOU-CYBMUJFWSA-N 2 2 341.377 2.777 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000356791075 147336195 /nfs/dbraw/zinc/33/61/95/147336195.db2.gz YILDJAIOCWPJQY-LPHOPBHVSA-N 2 2 327.472 2.927 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073785 151279261 /nfs/dbraw/zinc/27/92/61/151279261.db2.gz DLPOHOPFWYTFJW-SFHVURJKSA-N 2 2 341.455 2.580 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073785 151279262 /nfs/dbraw/zinc/27/92/62/151279262.db2.gz DLPOHOPFWYTFJW-SFHVURJKSA-N 2 2 341.455 2.580 20 30 EFEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000113323675 544569001 /nfs/dbraw/zinc/56/90/01/544569001.db2.gz PLSPBTOSZVCWEJ-UHFFFAOYSA-N 2 2 335.451 2.848 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423462854 270028132 /nfs/dbraw/zinc/02/81/32/270028132.db2.gz FFFOBHJYFKZGCD-MOPGFXCFSA-N 3 2 326.488 2.630 20 30 EFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874347 266155558 /nfs/dbraw/zinc/15/55/58/266155558.db2.gz SUUJLMQMPBBNTL-BBRMVZONSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874347 266155560 /nfs/dbraw/zinc/15/55/60/266155560.db2.gz SUUJLMQMPBBNTL-BBRMVZONSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874347 266155569 /nfs/dbraw/zinc/15/55/69/266155569.db2.gz SUUJLMQMPBBNTL-BBRMVZONSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000330874347 266155571 /nfs/dbraw/zinc/15/55/71/266155571.db2.gz SUUJLMQMPBBNTL-BBRMVZONSA-N 2 2 348.878 2.955 20 30 EFEDLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272531129 266296350 /nfs/dbraw/zinc/29/63/50/266296350.db2.gz JEWZJDDVYHXIID-IBGZPJMESA-N 2 2 340.471 2.518 20 30 EFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285614053 267156116 /nfs/dbraw/zinc/15/61/16/267156116.db2.gz KKEMJAPNRHJGKB-QGZVFWFLSA-N 2 2 326.488 2.991 20 30 EFEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766537 267256505 /nfs/dbraw/zinc/25/65/05/267256505.db2.gz MRPBUUQMIZRXDT-MRXNPFEDSA-N 2 2 332.879 2.818 20 30 EFEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766537 267256508 /nfs/dbraw/zinc/25/65/08/267256508.db2.gz MRPBUUQMIZRXDT-MRXNPFEDSA-N 2 2 332.879 2.818 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccsc3)CC2)cc1 ZINC000271889133 268064679 /nfs/dbraw/zinc/06/46/79/268064679.db2.gz RMTPFLROXFGMKT-IBGZPJMESA-N 2 2 341.480 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)C3CCCC3)CC2)cc1 ZINC000290045299 268064742 /nfs/dbraw/zinc/06/47/42/268064742.db2.gz DSHTXFILQFZXKN-FQEVSTJZSA-N 2 2 327.472 2.663 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000271881021 268065077 /nfs/dbraw/zinc/06/50/77/268065077.db2.gz PJCSFDOOABPUJF-IBGZPJMESA-N 2 2 335.455 2.913 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000271845729 268065979 /nfs/dbraw/zinc/06/59/79/268065979.db2.gz HTBMTOMJBPTMEE-OAQYLSRUSA-N 2 2 335.451 2.846 20 30 EFEDLP C=CCN1CC[C@@H]([NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)C1=O ZINC000281434920 273485449 /nfs/dbraw/zinc/48/54/49/273485449.db2.gz STFJZSBQIHQRCL-LJQANCHMSA-N 2 2 338.455 2.769 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000420984603 276149342 /nfs/dbraw/zinc/14/93/42/276149342.db2.gz TVCOJCVOCQVVDI-UHFFFAOYSA-N 2 2 343.490 2.669 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000420984603 276149343 /nfs/dbraw/zinc/14/93/43/276149343.db2.gz TVCOJCVOCQVVDI-UHFFFAOYSA-N 2 2 343.490 2.669 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000420984603 276149344 /nfs/dbraw/zinc/14/93/44/276149344.db2.gz TVCOJCVOCQVVDI-UHFFFAOYSA-N 2 2 343.490 2.669 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000420984603 276149346 /nfs/dbraw/zinc/14/93/46/276149346.db2.gz TVCOJCVOCQVVDI-UHFFFAOYSA-N 2 2 343.490 2.669 20 30 EFEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348300443 279121097 /nfs/dbraw/zinc/12/10/97/279121097.db2.gz AQBYHOHTZKAEAR-GBESFXJTSA-N 2 2 342.487 2.575 20 30 EFEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc2)CC1 ZINC000539929735 317734984 /nfs/dbraw/zinc/73/49/84/317734984.db2.gz DACGXRWROZRDEI-IBGZPJMESA-N 2 2 340.496 2.698 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560043687 318525232 /nfs/dbraw/zinc/52/52/32/318525232.db2.gz KJKLMIMVGBMHEL-OAHLLOKOSA-N 2 2 349.438 2.857 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766405 320047509 /nfs/dbraw/zinc/04/75/09/320047509.db2.gz QQHVXMSWHGRZQB-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766405 320047511 /nfs/dbraw/zinc/04/75/11/320047511.db2.gz QQHVXMSWHGRZQB-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766405 320047513 /nfs/dbraw/zinc/04/75/13/320047513.db2.gz QQHVXMSWHGRZQB-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766405 320047515 /nfs/dbraw/zinc/04/75/15/320047515.db2.gz QQHVXMSWHGRZQB-UXHICEINSA-N 2 2 332.451 2.907 20 30 EFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127132 320079910 /nfs/dbraw/zinc/07/99/10/320079910.db2.gz ARERZFXIPSGAKA-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127132 320079912 /nfs/dbraw/zinc/07/99/12/320079912.db2.gz ARERZFXIPSGAKA-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127132 320079914 /nfs/dbraw/zinc/07/99/14/320079914.db2.gz ARERZFXIPSGAKA-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127132 320079916 /nfs/dbraw/zinc/07/99/16/320079916.db2.gz ARERZFXIPSGAKA-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000083035970 473316943 /nfs/dbraw/zinc/31/69/43/473316943.db2.gz ZYIWGIDBAGFYHP-ROUUACIJSA-N 2 2 338.455 2.717 20 30 EFEDLP N#Cc1csc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000083476704 473344125 /nfs/dbraw/zinc/34/41/25/473344125.db2.gz OPBYVLATJYEKHO-UHFFFAOYSA-N 2 2 333.501 2.992 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069948974 472472710 /nfs/dbraw/zinc/47/27/10/472472710.db2.gz PMUZYQWUEJTQFV-ZIAGYGMSSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069948974 472472717 /nfs/dbraw/zinc/47/27/17/472472717.db2.gz PMUZYQWUEJTQFV-ZIAGYGMSSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000069948974 472472721 /nfs/dbraw/zinc/47/27/21/472472721.db2.gz PMUZYQWUEJTQFV-ZIAGYGMSSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000069948974 472472728 /nfs/dbraw/zinc/47/27/28/472472728.db2.gz PMUZYQWUEJTQFV-ZIAGYGMSSA-N 2 2 348.878 2.812 20 30 EFEDLP C=C(C)COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1OC ZINC000155507233 472559972 /nfs/dbraw/zinc/55/99/72/472559972.db2.gz CXDFHCSBNYNDMJ-UHFFFAOYSA-N 2 2 348.487 2.539 20 30 EFEDLP C=C(C)COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1OC ZINC000155507233 472559977 /nfs/dbraw/zinc/55/99/77/472559977.db2.gz CXDFHCSBNYNDMJ-UHFFFAOYSA-N 2 2 348.487 2.539 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000104167851 472659051 /nfs/dbraw/zinc/65/90/51/472659051.db2.gz XIZWZZUPEUKNFD-QGZVFWFLSA-N 2 2 330.407 2.864 20 30 EFEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000073449772 472814085 /nfs/dbraw/zinc/81/40/85/472814085.db2.gz ZDJZNMDWWUEMMJ-HDICACEKSA-N 2 2 344.503 2.625 20 30 EFEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000073449772 472814090 /nfs/dbraw/zinc/81/40/90/472814090.db2.gz ZDJZNMDWWUEMMJ-HDICACEKSA-N 2 2 344.503 2.625 20 30 EFEDLP Cc1nnc([C@H](C)O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000122227297 472990815 /nfs/dbraw/zinc/99/08/15/472990815.db2.gz FQDMTNYXYGXHHK-ZDUSSCGKSA-N 2 2 343.431 2.762 20 30 EFEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017735 473027275 /nfs/dbraw/zinc/02/72/75/473027275.db2.gz IJHCJBXVENWMQO-FQEVSTJZSA-N 2 2 342.483 2.633 20 30 EFEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017735 473027281 /nfs/dbraw/zinc/02/72/81/473027281.db2.gz IJHCJBXVENWMQO-FQEVSTJZSA-N 2 2 342.483 2.633 20 30 EFEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000135252796 473043236 /nfs/dbraw/zinc/04/32/36/473043236.db2.gz JTZSKKHDMAWZTC-KRWDZBQOSA-N 2 2 327.472 2.642 20 30 EFEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000135252796 473043238 /nfs/dbraw/zinc/04/32/38/473043238.db2.gz JTZSKKHDMAWZTC-KRWDZBQOSA-N 2 2 327.472 2.642 20 30 EFEDLP C=CC[NH+](CC=C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000051767047 473066351 /nfs/dbraw/zinc/06/63/51/473066351.db2.gz UFMWHOIBZZUWBS-UHFFFAOYSA-N 2 2 341.499 2.703 20 30 EFEDLP C=CC[NH+](CC=C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000051767047 473066357 /nfs/dbraw/zinc/06/63/57/473066357.db2.gz UFMWHOIBZZUWBS-UHFFFAOYSA-N 2 2 341.499 2.703 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080959613 473111204 /nfs/dbraw/zinc/11/12/04/473111204.db2.gz PLKOZHUSPZXKJX-OCCSQVGLSA-N 2 2 341.415 2.698 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080959613 473111212 /nfs/dbraw/zinc/11/12/12/473111212.db2.gz PLKOZHUSPZXKJX-OCCSQVGLSA-N 2 2 341.415 2.698 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960522 473113631 /nfs/dbraw/zinc/11/36/31/473113631.db2.gz FTPQOTGLGYFGNR-HNNXBMFYSA-N 2 2 326.400 2.548 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960522 473113636 /nfs/dbraw/zinc/11/36/36/473113636.db2.gz FTPQOTGLGYFGNR-HNNXBMFYSA-N 2 2 326.400 2.548 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934550 473423798 /nfs/dbraw/zinc/42/37/98/473423798.db2.gz GGAHBFIRWZYKBM-QYZOEREBSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934550 473423804 /nfs/dbraw/zinc/42/38/04/473423804.db2.gz GGAHBFIRWZYKBM-QYZOEREBSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934550 473423809 /nfs/dbraw/zinc/42/38/09/473423809.db2.gz GGAHBFIRWZYKBM-QYZOEREBSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113934550 473423814 /nfs/dbraw/zinc/42/38/14/473423814.db2.gz GGAHBFIRWZYKBM-QYZOEREBSA-N 2 2 348.535 2.581 20 30 EFEDLP N#Cc1cccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000163613710 473458254 /nfs/dbraw/zinc/45/82/54/473458254.db2.gz SVLVKVVRTPMGLF-UHFFFAOYSA-N 2 2 327.351 2.694 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114479567 473472870 /nfs/dbraw/zinc/47/28/70/473472870.db2.gz JUHKTJARQKAHPX-ZWKOTPCHSA-N 2 2 342.487 2.514 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114479567 473472874 /nfs/dbraw/zinc/47/28/74/473472874.db2.gz JUHKTJARQKAHPX-ZWKOTPCHSA-N 2 2 342.487 2.514 20 30 EFEDLP C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728314 473498799 /nfs/dbraw/zinc/49/87/99/473498799.db2.gz DBUOUNXCRQAKSH-UKRRQHHQSA-N 2 2 346.500 2.801 20 30 EFEDLP C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728314 473498801 /nfs/dbraw/zinc/49/88/01/473498801.db2.gz DBUOUNXCRQAKSH-UKRRQHHQSA-N 2 2 346.500 2.801 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000185801214 473517274 /nfs/dbraw/zinc/51/72/74/473517274.db2.gz NNOMOFKRTTWLHM-MJGOQNOKSA-N 2 2 343.471 2.570 20 30 EFEDLP C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000152488624 473568676 /nfs/dbraw/zinc/56/86/76/473568676.db2.gz VRIMQDWONDGKEK-HNNXBMFYSA-N 2 2 346.500 2.514 20 30 EFEDLP C[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000152488624 473568679 /nfs/dbraw/zinc/56/86/79/473568679.db2.gz VRIMQDWONDGKEK-HNNXBMFYSA-N 2 2 346.500 2.514 20 30 EFEDLP C[NH+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152488624 473568686 /nfs/dbraw/zinc/56/86/86/473568686.db2.gz VRIMQDWONDGKEK-HNNXBMFYSA-N 2 2 346.500 2.514 20 30 EFEDLP C[NH+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152488624 473568692 /nfs/dbraw/zinc/56/86/92/473568692.db2.gz VRIMQDWONDGKEK-HNNXBMFYSA-N 2 2 346.500 2.514 20 30 EFEDLP C[NH+]=C(NCCSC(F)(F)F)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179225599 473658568 /nfs/dbraw/zinc/65/85/68/473658568.db2.gz HFBVNTOQPQRDJY-VXGBXAGGSA-N 2 2 349.426 2.594 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCCCC#N ZINC000179637828 473699859 /nfs/dbraw/zinc/69/98/59/473699859.db2.gz FILHOZRPMQKKIS-KRWDZBQOSA-N 2 2 331.460 2.761 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCCCC#N ZINC000179637828 473699869 /nfs/dbraw/zinc/69/98/69/473699869.db2.gz FILHOZRPMQKKIS-KRWDZBQOSA-N 2 2 331.460 2.761 20 30 EFEDLP N#Cc1ccccc1N1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179752795 473718491 /nfs/dbraw/zinc/71/84/91/473718491.db2.gz YSESPJQZYKMIMB-UHFFFAOYSA-N 2 2 331.423 2.918 20 30 EFEDLP N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179752795 473718495 /nfs/dbraw/zinc/71/84/95/473718495.db2.gz YSESPJQZYKMIMB-UHFFFAOYSA-N 2 2 331.423 2.918 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000187017464 473801140 /nfs/dbraw/zinc/80/11/40/473801140.db2.gz PDNCUZLYPZZWHN-DNVCBOLYSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000187017464 473801147 /nfs/dbraw/zinc/80/11/47/473801147.db2.gz PDNCUZLYPZZWHN-DNVCBOLYSA-N 2 2 333.451 2.924 20 30 EFEDLP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000180147638 473810607 /nfs/dbraw/zinc/81/06/07/473810607.db2.gz ASDLGAQFMANECN-OAHLLOKOSA-N 2 2 334.427 2.581 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180176449 473817936 /nfs/dbraw/zinc/81/79/36/473817936.db2.gz CSTKETMZHCQYJI-UHFFFAOYSA-N 2 2 335.455 2.699 20 30 EFEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C#N)s3)[nH+]c2)C1 ZINC000269483466 473822298 /nfs/dbraw/zinc/82/22/98/473822298.db2.gz GMGYZAXHJKRZOU-CQSZACIVSA-N 2 2 327.457 2.767 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246354013 473836371 /nfs/dbraw/zinc/83/63/71/473836371.db2.gz JUHKTJARQKAHPX-ROUUACIJSA-N 2 2 342.487 2.514 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246354013 473836379 /nfs/dbraw/zinc/83/63/79/473836379.db2.gz JUHKTJARQKAHPX-ROUUACIJSA-N 2 2 342.487 2.514 20 30 EFEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)C1=O ZINC000281936328 473889685 /nfs/dbraw/zinc/88/96/85/473889685.db2.gz IMYBCXOYHSLMKJ-QFBILLFUSA-N 2 2 338.455 2.596 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000264076338 473947743 /nfs/dbraw/zinc/94/77/43/473947743.db2.gz FTMMEXUQCJVOLU-AWEZNQCLSA-N 2 2 348.472 2.795 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000274782405 473956074 /nfs/dbraw/zinc/95/60/74/473956074.db2.gz LDHSRGJRBTYDIA-IBGZPJMESA-N 2 2 328.504 2.882 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000274782405 473956081 /nfs/dbraw/zinc/95/60/81/473956081.db2.gz LDHSRGJRBTYDIA-IBGZPJMESA-N 2 2 328.504 2.882 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246813091 473970739 /nfs/dbraw/zinc/97/07/39/473970739.db2.gz IWPLKGROXRDDNF-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246813091 473970745 /nfs/dbraw/zinc/97/07/45/473970745.db2.gz IWPLKGROXRDDNF-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246813091 473970755 /nfs/dbraw/zinc/97/07/55/473970755.db2.gz IWPLKGROXRDDNF-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246813091 473970762 /nfs/dbraw/zinc/97/07/62/473970762.db2.gz IWPLKGROXRDDNF-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP CN(CC[N@H+](C)CC#Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000180934175 473988529 /nfs/dbraw/zinc/98/85/29/473988529.db2.gz GJTQJJVHNZAKPK-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP CN(CC[N@@H+](C)CC#Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000180934175 473988536 /nfs/dbraw/zinc/98/85/36/473988536.db2.gz GJTQJJVHNZAKPK-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP CN(CC#Cc1cccc(Cl)c1)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180934175 473988545 /nfs/dbraw/zinc/98/85/45/473988545.db2.gz GJTQJJVHNZAKPK-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP CN(CC#Cc1cccc(Cl)c1)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180934175 473988556 /nfs/dbraw/zinc/98/85/56/473988556.db2.gz GJTQJJVHNZAKPK-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@H](O)c2ccccc2)cc1 ZINC000288640592 474008558 /nfs/dbraw/zinc/00/85/58/474008558.db2.gz QFXMYHSVDCEAFA-SFHVURJKSA-N 2 2 327.428 2.509 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247106500 474065108 /nfs/dbraw/zinc/06/51/08/474065108.db2.gz ORSNEZHISPINTL-ZWKOTPCHSA-N 2 2 346.519 2.668 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247106500 474065113 /nfs/dbraw/zinc/06/51/13/474065113.db2.gz ORSNEZHISPINTL-ZWKOTPCHSA-N 2 2 346.519 2.668 20 30 EFEDLP C=C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270418709 474111949 /nfs/dbraw/zinc/11/19/49/474111949.db2.gz KJHICOMRLGFMBB-SFHVURJKSA-N 2 2 343.515 2.831 20 30 EFEDLP C=C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270418709 474111954 /nfs/dbraw/zinc/11/19/54/474111954.db2.gz KJHICOMRLGFMBB-SFHVURJKSA-N 2 2 343.515 2.831 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C#N)c1C ZINC000265556937 474252511 /nfs/dbraw/zinc/25/25/11/474252511.db2.gz ZWOCOBVXJSDQBU-LBPRGKRZSA-N 2 2 341.415 2.698 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248124329 474261860 /nfs/dbraw/zinc/26/18/60/474261860.db2.gz NSXWBZJWZZDNAQ-KXBFYZLASA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248124329 474261867 /nfs/dbraw/zinc/26/18/67/474261867.db2.gz NSXWBZJWZZDNAQ-KXBFYZLASA-N 2 2 333.451 2.924 20 30 EFEDLP N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)cc1 ZINC000182833120 474268654 /nfs/dbraw/zinc/26/86/54/474268654.db2.gz JMZPZOWETOQHLW-IBGZPJMESA-N 2 2 349.438 2.587 20 30 EFEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000270928877 474324581 /nfs/dbraw/zinc/32/45/81/474324581.db2.gz PXHWNBAZHPTELR-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279494 474479784 /nfs/dbraw/zinc/47/97/84/474479784.db2.gz FLAWKCPFKOYFJV-MOPGFXCFSA-N 2 2 341.503 2.608 20 30 EFEDLP C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279494 474479787 /nfs/dbraw/zinc/47/97/87/474479787.db2.gz FLAWKCPFKOYFJV-MOPGFXCFSA-N 2 2 341.503 2.608 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266894292 474519610 /nfs/dbraw/zinc/51/96/10/474519610.db2.gz DQWMUNMOGNOJPE-ZDUSSCGKSA-N 2 2 343.818 2.753 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266894292 474519613 /nfs/dbraw/zinc/51/96/13/474519613.db2.gz DQWMUNMOGNOJPE-ZDUSSCGKSA-N 2 2 343.818 2.753 20 30 EFEDLP CC1(C)C[NH+]=C(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)S1 ZINC000266921494 474532089 /nfs/dbraw/zinc/53/20/89/474532089.db2.gz MDIGFNDUQBDTGX-UHFFFAOYSA-N 2 2 344.484 2.588 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000249454205 474574791 /nfs/dbraw/zinc/57/47/91/474574791.db2.gz PDNCUZLYPZZWHN-KXBFYZLASA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000249454205 474574794 /nfs/dbraw/zinc/57/47/94/474574794.db2.gz PDNCUZLYPZZWHN-KXBFYZLASA-N 2 2 333.451 2.924 20 30 EFEDLP Cc1nnc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000271553369 474581668 /nfs/dbraw/zinc/58/16/68/474581668.db2.gz SLJYVNWMMFVURU-UHFFFAOYSA-N 2 2 345.472 2.670 20 30 EFEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267113295 474593341 /nfs/dbraw/zinc/59/33/41/474593341.db2.gz RTNGDJJCAPLPSL-GOSISDBHSA-N 2 2 332.517 2.563 20 30 EFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933803 474722890 /nfs/dbraw/zinc/72/28/90/474722890.db2.gz JIKBPCNJBHENMZ-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933803 474722893 /nfs/dbraw/zinc/72/28/93/474722893.db2.gz JIKBPCNJBHENMZ-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933803 474722898 /nfs/dbraw/zinc/72/28/98/474722898.db2.gz JIKBPCNJBHENMZ-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933803 474722904 /nfs/dbraw/zinc/72/29/04/474722904.db2.gz JIKBPCNJBHENMZ-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000268188613 474852881 /nfs/dbraw/zinc/85/28/81/474852881.db2.gz XEIDBEPUOXLBOQ-MRXNPFEDSA-N 2 2 330.451 2.694 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000268188613 474852885 /nfs/dbraw/zinc/85/28/85/474852885.db2.gz XEIDBEPUOXLBOQ-MRXNPFEDSA-N 2 2 330.451 2.694 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000255713068 474892896 /nfs/dbraw/zinc/89/28/96/474892896.db2.gz JUUFIIOIKVGOKA-YVMONPNESA-N 2 2 336.439 2.652 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H](O)c2ccccc2)cc1 ZINC000285221930 474933775 /nfs/dbraw/zinc/93/37/75/474933775.db2.gz QFXMYHSVDCEAFA-GOSISDBHSA-N 2 2 327.428 2.509 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273617388 474993569 /nfs/dbraw/zinc/99/35/69/474993569.db2.gz XUZANJNGTAHKGJ-CQSZACIVSA-N 2 2 332.444 2.870 20 30 EFEDLP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000285635944 475035499 /nfs/dbraw/zinc/03/54/99/475035499.db2.gz YYTUGRACVHRIRP-KRWDZBQOSA-N 2 2 345.487 2.678 20 30 EFEDLP C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000286101319 475052843 /nfs/dbraw/zinc/05/28/43/475052843.db2.gz LAOKGVNGVPWQHJ-UHFFFAOYSA-N 2 2 345.512 2.518 20 30 EFEDLP C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000286101319 475052850 /nfs/dbraw/zinc/05/28/50/475052850.db2.gz LAOKGVNGVPWQHJ-UHFFFAOYSA-N 2 2 345.512 2.518 20 30 EFEDLP Cc1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000329321317 475084102 /nfs/dbraw/zinc/08/41/02/475084102.db2.gz UKAFPFGWHRTXMG-UHFFFAOYSA-N 2 2 347.466 2.858 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944078 475093081 /nfs/dbraw/zinc/09/30/81/475093081.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 2 325.500 2.727 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944078 475093092 /nfs/dbraw/zinc/09/30/92/475093092.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 2 325.500 2.727 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000294944078 475093100 /nfs/dbraw/zinc/09/31/00/475093100.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 2 325.500 2.727 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294944078 475093104 /nfs/dbraw/zinc/09/31/04/475093104.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 2 325.500 2.727 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944083 475093425 /nfs/dbraw/zinc/09/34/25/475093425.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 2 325.500 2.727 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944083 475093430 /nfs/dbraw/zinc/09/34/30/475093430.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 2 325.500 2.727 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000294944083 475093436 /nfs/dbraw/zinc/09/34/36/475093436.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 2 325.500 2.727 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294944083 475093440 /nfs/dbraw/zinc/09/34/40/475093440.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 2 325.500 2.727 20 30 EFEDLP C[NH+]1CCC(CNC(=O)C2CCC(=O)CC2)([NH+]2CCCCC2)CC1 ZINC000329894929 475156851 /nfs/dbraw/zinc/15/68/51/475156851.db2.gz KGMZOZQSEJJGSJ-UHFFFAOYSA-N 2 2 335.492 2.653 20 30 EFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000329994254 475180565 /nfs/dbraw/zinc/18/05/65/475180565.db2.gz MCAGLTRALBALTD-UHFFFAOYSA-N 2 2 349.504 2.577 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)CC1 ZINC000296598937 475388535 /nfs/dbraw/zinc/38/85/35/475388535.db2.gz JPRVEQREVMULNW-MRXNPFEDSA-N 2 2 345.491 2.553 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115328 475401575 /nfs/dbraw/zinc/40/15/75/475401575.db2.gz XZSOKQXCFOVATD-MJGOQNOKSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115328 475401580 /nfs/dbraw/zinc/40/15/80/475401580.db2.gz XZSOKQXCFOVATD-MJGOQNOKSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115328 475401588 /nfs/dbraw/zinc/40/15/88/475401588.db2.gz XZSOKQXCFOVATD-MJGOQNOKSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115328 475401593 /nfs/dbraw/zinc/40/15/93/475401593.db2.gz XZSOKQXCFOVATD-MJGOQNOKSA-N 2 2 334.508 2.718 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4cccc(O)c4C3)CC2)cc1 ZINC000361441646 475454283 /nfs/dbraw/zinc/45/42/83/475454283.db2.gz WEDRTKHEKHECQW-FQEVSTJZSA-N 2 2 347.462 2.985 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348254925 475529878 /nfs/dbraw/zinc/52/98/78/475529878.db2.gz GSUPKICLNZCSNV-UHFFFAOYSA-N 2 2 336.399 2.635 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348254925 475529887 /nfs/dbraw/zinc/52/98/87/475529887.db2.gz GSUPKICLNZCSNV-UHFFFAOYSA-N 2 2 336.399 2.635 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348281647 475558328 /nfs/dbraw/zinc/55/83/28/475558328.db2.gz LCCALOZKSUPPIU-QAPCUYQASA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348281647 475558340 /nfs/dbraw/zinc/55/83/40/475558340.db2.gz LCCALOZKSUPPIU-QAPCUYQASA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348281647 475558346 /nfs/dbraw/zinc/55/83/46/475558346.db2.gz LCCALOZKSUPPIU-QAPCUYQASA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348281647 475558356 /nfs/dbraw/zinc/55/83/56/475558356.db2.gz LCCALOZKSUPPIU-QAPCUYQASA-N 2 2 340.471 2.549 20 30 EFEDLP C=CCC[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000342724356 475632192 /nfs/dbraw/zinc/63/21/92/475632192.db2.gz PNGCRESWADALKF-UHFFFAOYSA-N 2 2 336.505 2.821 20 30 EFEDLP C=CCC[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000342724356 475632199 /nfs/dbraw/zinc/63/21/99/475632199.db2.gz PNGCRESWADALKF-UHFFFAOYSA-N 2 2 336.505 2.821 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000346702314 475776591 /nfs/dbraw/zinc/77/65/91/475776591.db2.gz UBKJUIKHDHEIGV-PVAVHDDUSA-N 2 2 342.462 2.881 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1 ZINC000346702314 475776600 /nfs/dbraw/zinc/77/66/00/475776600.db2.gz UBKJUIKHDHEIGV-PVAVHDDUSA-N 2 2 342.462 2.881 20 30 EFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000353260820 475812678 /nfs/dbraw/zinc/81/26/78/475812678.db2.gz TZJDJQIQVUNGCZ-VXKWHMMOSA-N 2 2 347.462 2.772 20 30 EFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000353260820 475812682 /nfs/dbraw/zinc/81/26/82/475812682.db2.gz TZJDJQIQVUNGCZ-VXKWHMMOSA-N 2 2 347.462 2.772 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000353316801 475862412 /nfs/dbraw/zinc/86/24/12/475862412.db2.gz UEWONYDSTQZFKK-UHFFFAOYSA-N 2 2 340.471 2.892 20 30 EFEDLP C[NH+](CCC[N@@H+](C)CCOc1ccccc1C#N)Cc1ccco1 ZINC000353564385 476083105 /nfs/dbraw/zinc/08/31/05/476083105.db2.gz CDSWXAKRAVRZJD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@H+](C)CCOc1ccccc1C#N)Cc1ccco1 ZINC000353564385 476083109 /nfs/dbraw/zinc/08/31/09/476083109.db2.gz CDSWXAKRAVRZJD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCOc1ccccc1C#N ZINC000353564385 476083116 /nfs/dbraw/zinc/08/31/16/476083116.db2.gz CDSWXAKRAVRZJD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCOc1ccccc1C#N ZINC000353564385 476083125 /nfs/dbraw/zinc/08/31/25/476083125.db2.gz CDSWXAKRAVRZJD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP Cc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c(C)[nH+]1 ZINC000301444709 476165554 /nfs/dbraw/zinc/16/55/54/476165554.db2.gz OXVFTRICKRMESS-UHFFFAOYSA-N 2 2 335.455 2.986 20 30 EFEDLP Cc1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c(C)[nH+]1 ZINC000301444709 476165556 /nfs/dbraw/zinc/16/55/56/476165556.db2.gz OXVFTRICKRMESS-UHFFFAOYSA-N 2 2 335.455 2.986 20 30 EFEDLP C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360690146 476342217 /nfs/dbraw/zinc/34/22/17/476342217.db2.gz HPUPQLBYKYEGMF-XLIONFOSSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360690146 476342223 /nfs/dbraw/zinc/34/22/23/476342223.db2.gz HPUPQLBYKYEGMF-XLIONFOSSA-N 2 2 345.918 2.649 20 30 EFEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CC1 ZINC000368816908 476374403 /nfs/dbraw/zinc/37/44/03/476374403.db2.gz FXIXKQAQUNQNAZ-UHFFFAOYSA-N 2 2 336.439 2.977 20 30 EFEDLP C=CCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1Cl ZINC000351501082 476475986 /nfs/dbraw/zinc/47/59/86/476475986.db2.gz IESILGOVQWISAT-UHFFFAOYSA-N 2 2 338.879 2.841 20 30 EFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225410 476519779 /nfs/dbraw/zinc/51/97/79/476519779.db2.gz SCVDITJNIVWWPD-MJGOQNOKSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225410 476519787 /nfs/dbraw/zinc/51/97/87/476519787.db2.gz SCVDITJNIVWWPD-MJGOQNOKSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225410 476519795 /nfs/dbraw/zinc/51/97/95/476519795.db2.gz SCVDITJNIVWWPD-MJGOQNOKSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000354225410 476519798 /nfs/dbraw/zinc/51/97/98/476519798.db2.gz SCVDITJNIVWWPD-MJGOQNOKSA-N 2 2 342.487 2.738 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])CC)cc1OC ZINC000414987924 476905472 /nfs/dbraw/zinc/90/54/72/476905472.db2.gz ZMCMHKOZJYCRHT-GFCCVEGCSA-N 2 2 343.265 2.849 20 30 EFEDLP C=C[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156260 477156841 /nfs/dbraw/zinc/15/68/41/477156841.db2.gz QPXXYOZPJOZYOG-HKUYNNGSSA-N 2 2 341.499 2.631 20 30 EFEDLP C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371156260 477156850 /nfs/dbraw/zinc/15/68/50/477156850.db2.gz QPXXYOZPJOZYOG-HKUYNNGSSA-N 2 2 341.499 2.631 20 30 EFEDLP Cn1c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2[nH+]c1C(C)(C)C ZINC000424177475 477318288 /nfs/dbraw/zinc/31/82/88/477318288.db2.gz UPVSZHDLXQDPPS-CYBMUJFWSA-N 2 2 327.432 2.830 20 30 EFEDLP Cc1ncsc1C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1 ZINC000435737041 477362072 /nfs/dbraw/zinc/36/20/72/477362072.db2.gz DBAWUXRLJJHHAS-KRWDZBQOSA-N 2 2 326.469 2.935 20 30 EFEDLP Cc1ncsc1C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1 ZINC000435737041 477362082 /nfs/dbraw/zinc/36/20/82/477362082.db2.gz DBAWUXRLJJHHAS-KRWDZBQOSA-N 2 2 326.469 2.935 20 30 EFEDLP N#Cc1ccc(N2CCC([NH2+]Cc3c[nH+]c4n3CCCC4)CC2)cc1 ZINC000367618980 477605270 /nfs/dbraw/zinc/60/52/70/477605270.db2.gz UXHHCSABEBMNCZ-UHFFFAOYSA-N 2 2 335.455 2.850 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(C)C ZINC000455462802 477644029 /nfs/dbraw/zinc/64/40/29/477644029.db2.gz DLJSZZZMOOTNHQ-IXDOHACOSA-N 2 2 345.491 2.887 20 30 EFEDLP C=CC[N@H+](Cc1ccccc1F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295441 477669455 /nfs/dbraw/zinc/66/94/55/477669455.db2.gz AJXTXEGUJXTFTI-PMACEKPBSA-N 2 2 328.431 2.745 20 30 EFEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295441 477669463 /nfs/dbraw/zinc/66/94/63/477669463.db2.gz AJXTXEGUJXTFTI-PMACEKPBSA-N 2 2 328.431 2.745 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420381169 477735550 /nfs/dbraw/zinc/73/55/50/477735550.db2.gz YYKATDHVDXNBAZ-PNBKFKSVSA-N 2 2 335.517 2.627 20 30 EFEDLP C=CCC[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000427263115 477771714 /nfs/dbraw/zinc/77/17/14/477771714.db2.gz QIWCTEKZSMULTE-FQEVSTJZSA-N 2 2 343.515 2.879 20 30 EFEDLP C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420006 477796012 /nfs/dbraw/zinc/79/60/12/477796012.db2.gz FRJGXOYTHUFOHW-ICSRJNTNSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420006 477796015 /nfs/dbraw/zinc/79/60/15/477796015.db2.gz FRJGXOYTHUFOHW-ICSRJNTNSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399367 477861248 /nfs/dbraw/zinc/86/12/48/477861248.db2.gz IWDOLZWFIYULAZ-HZPDHXFCSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399367 477861256 /nfs/dbraw/zinc/86/12/56/477861256.db2.gz IWDOLZWFIYULAZ-HZPDHXFCSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558399367 477861260 /nfs/dbraw/zinc/86/12/60/477861260.db2.gz IWDOLZWFIYULAZ-HZPDHXFCSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000558399367 477861270 /nfs/dbraw/zinc/86/12/70/477861270.db2.gz IWDOLZWFIYULAZ-HZPDHXFCSA-N 2 2 335.517 2.501 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000420983319 477876016 /nfs/dbraw/zinc/87/60/16/477876016.db2.gz QLMALSPXCDZDII-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000420983319 477876023 /nfs/dbraw/zinc/87/60/23/477876023.db2.gz QLMALSPXCDZDII-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000420983319 477876031 /nfs/dbraw/zinc/87/60/31/477876031.db2.gz QLMALSPXCDZDII-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000420983319 477876040 /nfs/dbraw/zinc/87/60/40/477876040.db2.gz QLMALSPXCDZDII-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000494633798 478027819 /nfs/dbraw/zinc/02/78/19/478027819.db2.gz VUESBYCBECWPAL-UHFFFAOYSA-N 2 2 329.488 2.572 20 30 EFEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000494633798 478027826 /nfs/dbraw/zinc/02/78/26/478027826.db2.gz VUESBYCBECWPAL-UHFFFAOYSA-N 2 2 329.488 2.572 20 30 EFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126772 478126388 /nfs/dbraw/zinc/12/63/88/478126388.db2.gz YUXZAYCTPNDXRJ-MRXNPFEDSA-N 2 2 330.476 2.771 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440761732 478158844 /nfs/dbraw/zinc/15/88/44/478158844.db2.gz GVSQZUXKJPIVGN-MSOLQXFVSA-N 2 2 341.455 2.758 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440761732 478158849 /nfs/dbraw/zinc/15/88/49/478158849.db2.gz GVSQZUXKJPIVGN-MSOLQXFVSA-N 2 2 341.455 2.758 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3CCC(C#N)CC3)c2cc1C ZINC000580064723 478353343 /nfs/dbraw/zinc/35/33/43/478353343.db2.gz RHVQTKGJMOSOHC-DAWZGUTISA-N 2 2 340.471 2.934 20 30 EFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000580217248 478357256 /nfs/dbraw/zinc/35/72/56/478357256.db2.gz XNISENOBIZTDTP-LJQANCHMSA-N 2 2 330.472 2.938 20 30 EFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000580217248 478357269 /nfs/dbraw/zinc/35/72/69/478357269.db2.gz XNISENOBIZTDTP-LJQANCHMSA-N 2 2 330.472 2.938 20 30 EFEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000581111148 478373826 /nfs/dbraw/zinc/37/38/26/478373826.db2.gz BWCDZPWJEXUUPD-QUCCMNQESA-N 2 2 345.487 2.722 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCn4ccnc43)CC2)c1 ZINC000594507735 478418026 /nfs/dbraw/zinc/41/80/26/478418026.db2.gz QQCOQKHFTLIGNO-LJQANCHMSA-N 2 2 335.455 2.844 20 30 EFEDLP C[C@H](CC[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@H+](C)Cc1ccccc1 ZINC000582301789 478564598 /nfs/dbraw/zinc/56/45/98/478564598.db2.gz VTKZHFTVQKHWJP-MRXNPFEDSA-N 2 2 348.454 2.601 20 30 EFEDLP C[C@H](CC[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@@H+](C)Cc1ccccc1 ZINC000582301789 478564602 /nfs/dbraw/zinc/56/46/02/478564602.db2.gz VTKZHFTVQKHWJP-MRXNPFEDSA-N 2 2 348.454 2.601 20 30 EFEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491727934 478651282 /nfs/dbraw/zinc/65/12/82/478651282.db2.gz CMZWTQZPLLXRAD-UHFFFAOYSA-N 2 2 337.423 2.867 20 30 EFEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491727934 478651288 /nfs/dbraw/zinc/65/12/88/478651288.db2.gz CMZWTQZPLLXRAD-UHFFFAOYSA-N 2 2 337.423 2.867 20 30 EFEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCC#N)c1ccc(OC)cc1 ZINC000564813489 478819062 /nfs/dbraw/zinc/81/90/62/478819062.db2.gz UHEYFGQLFXQLLX-PKOBYXMFSA-N 2 2 331.460 2.740 20 30 EFEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CCC#N)c1ccc(OC)cc1 ZINC000564813489 478819071 /nfs/dbraw/zinc/81/90/71/478819071.db2.gz UHEYFGQLFXQLLX-PKOBYXMFSA-N 2 2 331.460 2.740 20 30 EFEDLP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000564848887 478831251 /nfs/dbraw/zinc/83/12/51/478831251.db2.gz OKSLEOSRXIMZQL-JKSUJKDBSA-N 2 2 343.450 2.672 20 30 EFEDLP N#CC[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623608 478896849 /nfs/dbraw/zinc/89/68/49/478896849.db2.gz VJMFQDYRZRQWJL-PMACEKPBSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623608 478896854 /nfs/dbraw/zinc/89/68/54/478896854.db2.gz VJMFQDYRZRQWJL-PMACEKPBSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623608 478896858 /nfs/dbraw/zinc/89/68/58/478896858.db2.gz VJMFQDYRZRQWJL-PMACEKPBSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623608 478896865 /nfs/dbraw/zinc/89/68/65/478896865.db2.gz VJMFQDYRZRQWJL-PMACEKPBSA-N 2 2 327.472 2.903 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614182 478927081 /nfs/dbraw/zinc/92/70/81/478927081.db2.gz BIBOGZICTGPEBC-NVXWUHKLSA-N 2 2 330.476 2.700 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614182 478927087 /nfs/dbraw/zinc/92/70/87/478927087.db2.gz BIBOGZICTGPEBC-NVXWUHKLSA-N 2 2 330.476 2.700 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000598722114 478991038 /nfs/dbraw/zinc/99/10/38/478991038.db2.gz ZFEYIWQLGJKQOD-INIZCTEOSA-N 2 2 339.549 2.628 20 30 EFEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC3(C#N)CCCCC3)c2)CC1 ZINC000601802921 479011305 /nfs/dbraw/zinc/01/13/05/479011305.db2.gz DNZJQKYHHKPZGW-UHFFFAOYSA-N 2 2 341.459 2.636 20 30 EFEDLP N#C[C@H]1CC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000565989458 479082260 /nfs/dbraw/zinc/08/22/60/479082260.db2.gz RRLSBIHXLLUVJS-LSDHHAIUSA-N 2 2 339.443 2.542 20 30 EFEDLP N#CCCn1cc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2ccncc2)n1 ZINC000567010908 479099844 /nfs/dbraw/zinc/09/98/44/479099844.db2.gz TYYQFUZTEICKAC-UHFFFAOYSA-N 2 2 349.442 2.625 20 30 EFEDLP C=C(C)C[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000515177533 479129093 /nfs/dbraw/zinc/12/90/93/479129093.db2.gz IRZSSHKINYEEEW-SJORKVTESA-N 2 2 344.503 2.976 20 30 EFEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303389 479145548 /nfs/dbraw/zinc/14/55/48/479145548.db2.gz BQKUBVQZBOOVNR-AEFFLSMTSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303389 479145555 /nfs/dbraw/zinc/14/55/55/479145555.db2.gz BQKUBVQZBOOVNR-AEFFLSMTSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303389 479145565 /nfs/dbraw/zinc/14/55/65/479145565.db2.gz BQKUBVQZBOOVNR-AEFFLSMTSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303389 479145570 /nfs/dbraw/zinc/14/55/70/479145570.db2.gz BQKUBVQZBOOVNR-AEFFLSMTSA-N 2 2 347.528 2.597 20 30 EFEDLP N#CCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551702829 479148587 /nfs/dbraw/zinc/14/85/87/479148587.db2.gz GHUVJYADMYYXDR-HXUWFJFHSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551702829 479148589 /nfs/dbraw/zinc/14/85/89/479148589.db2.gz GHUVJYADMYYXDR-HXUWFJFHSA-N 2 2 327.472 2.903 20 30 EFEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109515 479253095 /nfs/dbraw/zinc/25/30/95/479253095.db2.gz CLEYTFPUPZZNIJ-LJQANCHMSA-N 2 2 343.471 2.970 20 30 EFEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109515 479253100 /nfs/dbraw/zinc/25/31/00/479253100.db2.gz CLEYTFPUPZZNIJ-LJQANCHMSA-N 2 2 343.471 2.970 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000593324588 479295889 /nfs/dbraw/zinc/29/58/89/479295889.db2.gz XUULFBARZJGICY-AZUAARDMSA-N 3 2 326.488 2.630 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602499153 479369163 /nfs/dbraw/zinc/36/91/63/479369163.db2.gz NFVGDIRUBPIWSE-MJGOQNOKSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602499153 479369170 /nfs/dbraw/zinc/36/91/70/479369170.db2.gz NFVGDIRUBPIWSE-MJGOQNOKSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438651 479380101 /nfs/dbraw/zinc/38/01/01/479380101.db2.gz UMGGRZWSZDYVKY-APWZRJJASA-N 2 2 327.472 2.927 20 30 EFEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517432 479399833 /nfs/dbraw/zinc/39/98/33/479399833.db2.gz VTYLJPAWNSOXDO-LJQANCHMSA-N 2 2 330.472 2.984 20 30 EFEDLP CCc1ncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593691513 479424210 /nfs/dbraw/zinc/42/42/10/479424210.db2.gz AYBBCJOQXGHBII-UHFFFAOYSA-N 2 2 335.455 2.665 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCCOC1 ZINC000593695031 479426884 /nfs/dbraw/zinc/42/68/84/479426884.db2.gz FVHXFLDPYHMJKT-QFBILLFUSA-N 2 2 327.472 2.927 20 30 EFEDLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593720065 479433775 /nfs/dbraw/zinc/43/37/75/479433775.db2.gz FVMDULFFVQCMJX-HXUWFJFHSA-N 2 2 349.482 2.923 20 30 EFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nccn1C ZINC000593722880 479435365 /nfs/dbraw/zinc/43/53/65/479435365.db2.gz SQFMMEXCCHZWEO-LJQANCHMSA-N 2 2 337.471 2.997 20 30 EFEDLP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000602704761 479489177 /nfs/dbraw/zinc/48/91/77/479489177.db2.gz ICQLRNOGHQRMOX-HXUWFJFHSA-N 2 2 327.472 2.927 20 30 EFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000589735970 479564335 /nfs/dbraw/zinc/56/43/35/479564335.db2.gz XNTHVPJWVVALPY-IBGZPJMESA-N 2 2 341.455 2.553 20 30 EFEDLP Oc1cccc2c1CC[NH+](CC#CC[N@H+]1CCc3c(O)cccc3C1)C2 ZINC000626028725 480163094 /nfs/dbraw/zinc/16/30/94/480163094.db2.gz VLSLPLBVVJNWFC-UHFFFAOYSA-N 2 2 348.446 2.518 20 30 EFEDLP Oc1cccc2c1CC[NH+](CC#CC[N@@H+]1CCc3c(O)cccc3C1)C2 ZINC000626028725 480163100 /nfs/dbraw/zinc/16/31/00/480163100.db2.gz VLSLPLBVVJNWFC-UHFFFAOYSA-N 2 2 348.446 2.518 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000614461665 480314584 /nfs/dbraw/zinc/31/45/84/480314584.db2.gz CAPMQEWAWZGVDW-HXUWFJFHSA-N 2 2 326.488 2.742 20 30 EFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000610542732 480332695 /nfs/dbraw/zinc/33/26/95/480332695.db2.gz IUWVYMYWUCNUIX-CQSZACIVSA-N 2 2 343.456 2.709 20 30 EFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000610542732 480332698 /nfs/dbraw/zinc/33/26/98/480332698.db2.gz IUWVYMYWUCNUIX-CQSZACIVSA-N 2 2 343.456 2.709 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000644607929 480467748 /nfs/dbraw/zinc/46/77/48/480467748.db2.gz ZSHAVTFXKFQSCT-LJQANCHMSA-N 2 2 326.440 2.691 20 30 EFEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cn(C)c[nH+]1 ZINC000641432220 480927672 /nfs/dbraw/zinc/92/76/72/480927672.db2.gz DUYJZZMFBBACQF-UHFFFAOYSA-N 2 2 346.504 2.518 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647938662 481198121 /nfs/dbraw/zinc/19/81/21/481198121.db2.gz RGDNXGCSTGMJMR-ZMSDIMECSA-N 2 2 335.517 2.710 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647938662 481198128 /nfs/dbraw/zinc/19/81/28/481198128.db2.gz RGDNXGCSTGMJMR-ZMSDIMECSA-N 2 2 335.517 2.710 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000653610149 481361193 /nfs/dbraw/zinc/36/11/93/481361193.db2.gz ZEUWFVPLGYYCLK-PKOBYXMFSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000653610149 481361203 /nfs/dbraw/zinc/36/12/03/481361203.db2.gz ZEUWFVPLGYYCLK-PKOBYXMFSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000653610147 481361262 /nfs/dbraw/zinc/36/12/62/481361262.db2.gz ZEUWFVPLGYYCLK-IEBWSBKVSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000653610147 481361267 /nfs/dbraw/zinc/36/12/67/481361267.db2.gz ZEUWFVPLGYYCLK-IEBWSBKVSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nn1 ZINC000653649777 481385948 /nfs/dbraw/zinc/38/59/48/481385948.db2.gz YCWUEKUJDYHREZ-UHFFFAOYSA-N 2 2 340.475 2.767 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000153966455 524399084 /nfs/dbraw/zinc/39/90/84/524399084.db2.gz UEOBJGURRWUHBL-ROUUACIJSA-N 2 2 326.488 2.549 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000177908581 526454517 /nfs/dbraw/zinc/45/45/17/526454517.db2.gz GNPGJKMCPBUTFY-OAHLLOKOSA-N 2 2 329.444 2.944 20 30 EFEDLP CC[NH+](CC)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181386745 528112646 /nfs/dbraw/zinc/11/26/46/528112646.db2.gz QSBGRXJEJINKFN-UHFFFAOYSA-N 3 2 328.504 2.844 20 30 EFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccco1 ZINC000170910042 528234786 /nfs/dbraw/zinc/23/47/86/528234786.db2.gz FXNRGIVEPMJQIM-INIZCTEOSA-N 2 2 344.459 2.776 20 30 EFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccco1 ZINC000170910043 528269249 /nfs/dbraw/zinc/26/92/49/528269249.db2.gz FXNRGIVEPMJQIM-MRXNPFEDSA-N 2 2 344.459 2.776 20 30 EFEDLP CC(C)[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1[nH]cc[nH+]1 ZINC000328792873 535121426 /nfs/dbraw/zinc/12/14/26/535121426.db2.gz ZXHYSOZNPJYJTR-MRXNPFEDSA-N 2 2 344.463 2.709 20 30 EFEDLP CC[NH+]=C(NCCC1CCOCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261949659 535261980 /nfs/dbraw/zinc/26/19/80/535261980.db2.gz HADYPDCOCANHEI-FUHWJXTLSA-N 2 2 347.507 2.548 20 30 EFEDLP CCc1cnc(CNC(=[NH+]C)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000261944398 536033326 /nfs/dbraw/zinc/03/33/26/536033326.db2.gz FJLFTGBHVAMWAN-HIFRSBDPSA-N 2 2 346.504 2.561 20 30 EFEDLP CCc1cnc(CNC(=[NH+]C)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000261944400 536033365 /nfs/dbraw/zinc/03/33/65/536033365.db2.gz FJLFTGBHVAMWAN-UKRRQHHQSA-N 2 2 346.504 2.561 20 30 EFEDLP C[N@H+](Cc1ccccc1)CC(C)(C)CN=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936997 575362878 /nfs/dbraw/zinc/36/28/78/575362878.db2.gz XRJFICOUMXEFDB-ROUUACIJSA-N 2 2 341.503 2.990 20 30 EFEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)CN=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936997 575362880 /nfs/dbraw/zinc/36/28/80/575362880.db2.gz XRJFICOUMXEFDB-ROUUACIJSA-N 2 2 341.503 2.990 20 30 EFEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]O[C@H]2CCCCO2)CC1 ZINC000755817994 575641354 /nfs/dbraw/zinc/64/13/54/575641354.db2.gz PHBNZFGWUPEVSP-KRWDZBQOSA-N 2 2 337.851 2.969 20 30 EFEDLP N#Cc1ccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000763236985 576368694 /nfs/dbraw/zinc/36/86/94/576368694.db2.gz VJINEQVORQYEBG-LJQANCHMSA-N 2 2 336.370 2.706 20 30 EFEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cc(C#N)ncn3)cc2)CC1 ZINC000764841485 576510611 /nfs/dbraw/zinc/51/06/11/576510611.db2.gz USLOZTLKJNVYJC-UHFFFAOYSA-N 2 2 336.443 2.870 20 30 EFEDLP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104732288 1249443417 /nfs/dbraw/zinc/44/34/17/1249443417.db2.gz RQJSRKIGPXLJRZ-IAGOWNOFSA-N 2 2 334.508 2.997 20 30 EFEDLP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850558425 1250536108 /nfs/dbraw/zinc/53/61/08/1250536108.db2.gz WIXRLVDDFFMHJD-LPHOPBHVSA-N 2 2 328.456 2.603 20 30 EFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850558427 1250536322 /nfs/dbraw/zinc/53/63/22/1250536322.db2.gz WIXRLVDDFFMHJD-VQIMIIECSA-N 2 2 328.456 2.603 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089694026 1252289539 /nfs/dbraw/zinc/28/95/39/1252289539.db2.gz RLEWCJCLAVBUGE-GJZGRUSLSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089694026 1252289543 /nfs/dbraw/zinc/28/95/43/1252289543.db2.gz RLEWCJCLAVBUGE-GJZGRUSLSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC000995820755 1254774262 /nfs/dbraw/zinc/77/42/62/1254774262.db2.gz IAIUSVDNYSNJKV-INIZCTEOSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449423 1255845885 /nfs/dbraw/zinc/84/58/85/1255845885.db2.gz IKQGTUICBZXMNO-YLJYHZDGSA-N 2 2 344.503 2.864 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449423 1255845894 /nfs/dbraw/zinc/84/58/94/1255845894.db2.gz IKQGTUICBZXMNO-YLJYHZDGSA-N 2 2 344.503 2.864 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574209 1256170021 /nfs/dbraw/zinc/17/00/21/1256170021.db2.gz SXIPKSYQZZLJIR-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574209 1256170023 /nfs/dbraw/zinc/17/00/23/1256170023.db2.gz SXIPKSYQZZLJIR-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574209 1256170026 /nfs/dbraw/zinc/17/00/26/1256170026.db2.gz SXIPKSYQZZLJIR-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574209 1256170029 /nfs/dbraw/zinc/17/00/29/1256170029.db2.gz SXIPKSYQZZLJIR-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997647797 1258165275 /nfs/dbraw/zinc/16/52/75/1258165275.db2.gz BYMGAZMBXWRWCI-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997648501 1258166646 /nfs/dbraw/zinc/16/66/46/1258166646.db2.gz INLJUGJSHKBSCQ-YOEHRIQHSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997648501 1258166650 /nfs/dbraw/zinc/16/66/50/1258166650.db2.gz INLJUGJSHKBSCQ-YOEHRIQHSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997748050 1258349577 /nfs/dbraw/zinc/34/95/77/1258349577.db2.gz MDVSTSSSLPYHCY-GOEBONIOSA-N 2 2 330.476 2.622 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998044110 1259009573 /nfs/dbraw/zinc/00/95/73/1259009573.db2.gz FJAPWPCJGBGHMO-KRWDZBQOSA-N 2 2 338.455 2.903 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998044110 1259009581 /nfs/dbraw/zinc/00/95/81/1259009581.db2.gz FJAPWPCJGBGHMO-KRWDZBQOSA-N 2 2 338.455 2.903 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998042748 1259014153 /nfs/dbraw/zinc/01/41/53/1259014153.db2.gz ALNCRYWYFOZZHY-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998042748 1259014157 /nfs/dbraw/zinc/01/41/57/1259014157.db2.gz ALNCRYWYFOZZHY-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047569 1259022759 /nfs/dbraw/zinc/02/27/59/1259022759.db2.gz QOQAGRRCARPPEY-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047569 1259022767 /nfs/dbraw/zinc/02/27/67/1259022767.db2.gz QOQAGRRCARPPEY-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047569 1259022775 /nfs/dbraw/zinc/02/27/75/1259022775.db2.gz QOQAGRRCARPPEY-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047569 1259022785 /nfs/dbraw/zinc/02/27/85/1259022785.db2.gz QOQAGRRCARPPEY-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052867 1259036474 /nfs/dbraw/zinc/03/64/74/1259036474.db2.gz QOKZIOJTXGFQMA-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052867 1259036484 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HLZPRYMWMDVGTQ-MGPQQGTHSA-N 2 2 336.867 2.599 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004498253 1267166059 /nfs/dbraw/zinc/16/60/59/1267166059.db2.gz NVEBHDLBBHNZJD-SFHVURJKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004498253 1267166062 /nfs/dbraw/zinc/16/60/62/1267166062.db2.gz NVEBHDLBBHNZJD-SFHVURJKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004499666 1267171928 /nfs/dbraw/zinc/17/19/28/1267171928.db2.gz LVMPFAADLLFMRR-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004499666 1267171931 /nfs/dbraw/zinc/17/19/31/1267171931.db2.gz LVMPFAADLLFMRR-GOSISDBHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566994 1267301474 /nfs/dbraw/zinc/30/14/74/1267301474.db2.gz FXIKYSITGWPKMD-FUHWJXTLSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566994 1267301486 /nfs/dbraw/zinc/30/14/86/1267301486.db2.gz FXIKYSITGWPKMD-FUHWJXTLSA-N 2 2 330.476 2.723 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609021 1267393881 /nfs/dbraw/zinc/39/38/81/1267393881.db2.gz DDTRJTIDEYTAMG-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609021 1267393890 /nfs/dbraw/zinc/39/38/90/1267393890.db2.gz DDTRJTIDEYTAMG-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609397 1267396034 /nfs/dbraw/zinc/39/60/34/1267396034.db2.gz HEDXHFXQQMXZNR-SFHVURJKSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609397 1267396043 /nfs/dbraw/zinc/39/60/43/1267396043.db2.gz HEDXHFXQQMXZNR-SFHVURJKSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609822 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/nfs/dbraw/zinc/73/86/27/1268738627.db2.gz OFIXZCXMXHIQOD-KURKYZTESA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815644 1268845428 /nfs/dbraw/zinc/84/54/28/1268845428.db2.gz IVTIKRNJJBECPF-OKZBNKHCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815644 1268845438 /nfs/dbraw/zinc/84/54/38/1268845438.db2.gz IVTIKRNJJBECPF-OKZBNKHCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815644 1268845448 /nfs/dbraw/zinc/84/54/48/1268845448.db2.gz IVTIKRNJJBECPF-OKZBNKHCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815644 1268845459 /nfs/dbraw/zinc/84/54/59/1268845459.db2.gz IVTIKRNJJBECPF-OKZBNKHCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086159968 1270259739 /nfs/dbraw/zinc/25/97/39/1270259739.db2.gz RKHYAMGGOHPOEU-FZNQNYSPSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033828665 1270339549 /nfs/dbraw/zinc/33/95/49/1270339549.db2.gz RBHCZHVZPXYTAS-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033828665 1270339554 /nfs/dbraw/zinc/33/95/54/1270339554.db2.gz RBHCZHVZPXYTAS-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033828665 1270339560 /nfs/dbraw/zinc/33/95/60/1270339560.db2.gz RBHCZHVZPXYTAS-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033828665 1270339567 /nfs/dbraw/zinc/33/95/67/1270339567.db2.gz RBHCZHVZPXYTAS-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033889330 1270463446 /nfs/dbraw/zinc/46/34/46/1270463446.db2.gz XNHFCMZVSIWNAE-HNNXBMFYSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033889330 1270463452 /nfs/dbraw/zinc/46/34/52/1270463452.db2.gz XNHFCMZVSIWNAE-HNNXBMFYSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033879283 1270470608 /nfs/dbraw/zinc/47/06/08/1270470608.db2.gz ZIMJGIPBDWCWJQ-INIZCTEOSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033879283 1270470614 /nfs/dbraw/zinc/47/06/14/1270470614.db2.gz ZIMJGIPBDWCWJQ-INIZCTEOSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203330 1271317339 /nfs/dbraw/zinc/31/73/39/1271317339.db2.gz DUZLSBZYLHBODQ-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203330 1271317343 /nfs/dbraw/zinc/31/73/43/1271317343.db2.gz DUZLSBZYLHBODQ-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203330 1271317350 /nfs/dbraw/zinc/31/73/50/1271317350.db2.gz DUZLSBZYLHBODQ-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203330 1271317359 /nfs/dbraw/zinc/31/73/59/1271317359.db2.gz DUZLSBZYLHBODQ-HZPDHXFCSA-N 2 2 327.900 2.582 20 30 EFEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206102 1271384420 /nfs/dbraw/zinc/38/44/20/1271384420.db2.gz GLHISZGMERMOSP-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206102 1271384428 /nfs/dbraw/zinc/38/44/28/1271384428.db2.gz GLHISZGMERMOSP-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034249603 1271423609 /nfs/dbraw/zinc/42/36/09/1271423609.db2.gz LSPCUTGCUPPEHY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034249603 1271423613 /nfs/dbraw/zinc/42/36/13/1271423613.db2.gz LSPCUTGCUPPEHY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034249603 1271423621 /nfs/dbraw/zinc/42/36/21/1271423621.db2.gz LSPCUTGCUPPEHY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034249603 1271423627 /nfs/dbraw/zinc/42/36/27/1271423627.db2.gz LSPCUTGCUPPEHY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331936 1271678778 /nfs/dbraw/zinc/67/87/78/1271678778.db2.gz WALFWLQWXIFDQF-SJORKVTESA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331936 1271678787 /nfs/dbraw/zinc/67/87/87/1271678787.db2.gz WALFWLQWXIFDQF-SJORKVTESA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001034645243 1272433962 /nfs/dbraw/zinc/43/39/62/1272433962.db2.gz UFBKPBKOOPAPFN-QAQDUYKDSA-N 2 2 326.444 2.849 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001005585148 1272511248 /nfs/dbraw/zinc/51/12/48/1272511248.db2.gz PLLSNDSKEPRUDH-UHFFFAOYSA-N 2 2 331.460 2.522 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108769316 1273457569 /nfs/dbraw/zinc/45/75/69/1273457569.db2.gz NVQCCOLMIRJLQS-BQFCYCMXSA-N 2 2 330.476 2.668 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181017 1273744608 /nfs/dbraw/zinc/74/46/08/1273744608.db2.gz MCQOKADJPVXTSW-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181017 1273744616 /nfs/dbraw/zinc/74/46/16/1273744616.db2.gz MCQOKADJPVXTSW-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198046 1273765034 /nfs/dbraw/zinc/76/50/34/1273765034.db2.gz BKJZBMQLPLMCOD-UHFFFAOYSA-N 2 2 336.439 2.514 20 30 EFEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198046 1273765043 /nfs/dbraw/zinc/76/50/43/1273765043.db2.gz BKJZBMQLPLMCOD-UHFFFAOYSA-N 2 2 336.439 2.514 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222914 1273834152 /nfs/dbraw/zinc/83/41/52/1273834152.db2.gz HOLHOVQYRBGDLV-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222914 1273834157 /nfs/dbraw/zinc/83/41/57/1273834157.db2.gz HOLHOVQYRBGDLV-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245358 1273917437 /nfs/dbraw/zinc/91/74/37/1273917437.db2.gz OTPFFLBAZGQDHB-UHFFFAOYSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245358 1273917441 /nfs/dbraw/zinc/91/74/41/1273917441.db2.gz OTPFFLBAZGQDHB-UHFFFAOYSA-N 2 2 344.503 2.968 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245582 1273920095 /nfs/dbraw/zinc/92/00/95/1273920095.db2.gz UOCORDXGTBYAFJ-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245582 1273920096 /nfs/dbraw/zinc/92/00/96/1273920096.db2.gz UOCORDXGTBYAFJ-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035705781 1274384303 /nfs/dbraw/zinc/38/43/03/1274384303.db2.gz BQHWGRPKNKJITG-INIZCTEOSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035705781 1274384311 /nfs/dbraw/zinc/38/43/11/1274384311.db2.gz BQHWGRPKNKJITG-INIZCTEOSA-N 2 2 339.911 2.536 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023458 1274678909 /nfs/dbraw/zinc/67/89/09/1274678909.db2.gz YBBVDHJEOUKRSD-MRXNPFEDSA-N 2 2 326.444 2.937 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001036077018 1275035854 /nfs/dbraw/zinc/03/58/54/1275035854.db2.gz MFRSZTMXCKKEMT-SMDDNHRTSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001036077001 1275036018 /nfs/dbraw/zinc/03/60/18/1275036018.db2.gz MFRSZTMXCKKEMT-BXUZGUMPSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001036077014 1275036074 /nfs/dbraw/zinc/03/60/74/1275036074.db2.gz MFRSZTMXCKKEMT-RISCZKNCSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001036077003 1275036325 /nfs/dbraw/zinc/03/63/25/1275036325.db2.gz MFRSZTMXCKKEMT-FZMZJTMJSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001036102764 1275097496 /nfs/dbraw/zinc/09/74/96/1275097496.db2.gz AJLJRIBQHAUDIF-GXTWGEPZSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001036227088 1275256586 /nfs/dbraw/zinc/25/65/86/1275256586.db2.gz ZAPSCIRGNTYNDC-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC001036239044 1275271618 /nfs/dbraw/zinc/27/16/18/1275271618.db2.gz DSOOZUNXJJZJCT-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590195 1275345378 /nfs/dbraw/zinc/34/53/78/1275345378.db2.gz INZBRUPJIBVZFD-ICSRJNTNSA-N 2 2 344.503 2.848 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786831456 1275536076 /nfs/dbraw/zinc/53/60/76/1275536076.db2.gz JHUBYTCOWJFQDW-HNNXBMFYSA-N 2 2 328.460 2.517 20 30 EFEDLP N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000787676545 1275835434 /nfs/dbraw/zinc/83/54/34/1275835434.db2.gz ORDDYNFUPAAUOY-LJQANCHMSA-N 2 2 343.471 2.514 20 30 EFEDLP N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000787676545 1275835446 /nfs/dbraw/zinc/83/54/46/1275835446.db2.gz ORDDYNFUPAAUOY-LJQANCHMSA-N 2 2 343.471 2.514 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170088876 1276307053 /nfs/dbraw/zinc/30/70/53/1276307053.db2.gz CSZXZAFBMGOICC-UHFFFAOYSA-N 2 2 343.475 2.947 20 30 EFEDLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000817951784 1276396477 /nfs/dbraw/zinc/39/64/77/1276396477.db2.gz HFPCUQRMERGTSQ-OAHLLOKOSA-N 2 2 337.427 2.567 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170893607 1276497852 /nfs/dbraw/zinc/49/78/52/1276497852.db2.gz FGEHESFKLRBRFE-MRXNPFEDSA-N 2 2 332.492 2.603 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170896460 1276502103 /nfs/dbraw/zinc/50/21/03/1276502103.db2.gz XAVCMGRDDZNWGY-KRWDZBQOSA-N 2 2 346.519 2.993 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170896451 1276502448 /nfs/dbraw/zinc/50/24/48/1276502448.db2.gz WWYHPJXJSOQHOD-QGZVFWFLSA-N 2 2 346.519 2.993 20 30 EFEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529551 1278011146 /nfs/dbraw/zinc/01/11/46/1278011146.db2.gz VLCUSXUXSRIPNB-IBGZPJMESA-N 2 2 329.488 2.790 20 30 EFEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529551 1278011152 /nfs/dbraw/zinc/01/11/52/1278011152.db2.gz VLCUSXUXSRIPNB-IBGZPJMESA-N 2 2 329.488 2.790 20 30 EFEDLP FC(F)(F)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000792870596 1279204858 /nfs/dbraw/zinc/20/48/58/1279204858.db2.gz IRJOUBCMFWAYOJ-TXEJJXNPSA-N 2 2 328.300 2.758 20 30 EFEDLP FC(F)(F)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000792870596 1279204864 /nfs/dbraw/zinc/20/48/64/1279204864.db2.gz IRJOUBCMFWAYOJ-TXEJJXNPSA-N 2 2 328.300 2.758 20 30 EFEDLP FC(F)(F)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000792870596 1279204872 /nfs/dbraw/zinc/20/48/72/1279204872.db2.gz IRJOUBCMFWAYOJ-TXEJJXNPSA-N 2 2 328.300 2.758 20 30 EFEDLP FC(F)(F)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000792870596 1279204879 /nfs/dbraw/zinc/20/48/79/1279204879.db2.gz IRJOUBCMFWAYOJ-TXEJJXNPSA-N 2 2 328.300 2.758 20 30 EFEDLP CN(C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c[nH+]1 ZINC001175344108 1287390587 /nfs/dbraw/zinc/39/05/87/1287390587.db2.gz UOGPOUAOJAQTAH-UHFFFAOYSA-N 2 2 336.443 2.515 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171212849 1280028720 /nfs/dbraw/zinc/02/87/20/1280028720.db2.gz QTHFYELYUGFICD-OAHLLOKOSA-N 2 2 347.422 2.780 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001171212849 1280028730 /nfs/dbraw/zinc/02/87/30/1280028730.db2.gz QTHFYELYUGFICD-OAHLLOKOSA-N 2 2 347.422 2.780 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001171212910 1280030779 /nfs/dbraw/zinc/03/07/79/1280030779.db2.gz ROVJWOONHSPLDP-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001171212910 1280030786 /nfs/dbraw/zinc/03/07/86/1280030786.db2.gz ROVJWOONHSPLDP-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001171212910 1280030788 /nfs/dbraw/zinc/03/07/88/1280030788.db2.gz ROVJWOONHSPLDP-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001171212910 1280030795 /nfs/dbraw/zinc/03/07/95/1280030795.db2.gz ROVJWOONHSPLDP-DZFGPLHGSA-N 2 2 346.478 2.948 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357552 1287411855 /nfs/dbraw/zinc/41/18/55/1287411855.db2.gz HFXYFGZYFWRRCJ-BRWVUGGUSA-N 2 2 332.492 2.754 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201793 1287473465 /nfs/dbraw/zinc/47/34/65/1287473465.db2.gz IWHONJBVPYNSJK-SFTDATJTSA-N 2 2 337.467 2.925 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201793 1287473473 /nfs/dbraw/zinc/47/34/73/1287473473.db2.gz IWHONJBVPYNSJK-SFTDATJTSA-N 2 2 337.467 2.925 20 30 EFEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010977 1281385344 /nfs/dbraw/zinc/38/53/44/1281385344.db2.gz OKDGYKYERHPSSZ-UHFFFAOYSA-N 2 2 332.492 2.778 20 30 EFEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010977 1281385356 /nfs/dbraw/zinc/38/53/56/1281385356.db2.gz OKDGYKYERHPSSZ-UHFFFAOYSA-N 2 2 332.492 2.778 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357363 1281529124 /nfs/dbraw/zinc/52/91/24/1281529124.db2.gz KWSSKLGPYYSVFS-DLBZAZTESA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357363 1281529137 /nfs/dbraw/zinc/52/91/37/1281529137.db2.gz KWSSKLGPYYSVFS-DLBZAZTESA-N 2 2 330.476 2.723 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945585 1281980077 /nfs/dbraw/zinc/98/00/77/1281980077.db2.gz FGUDNVMBHWXFFO-IRXDYDNUSA-N 2 2 330.476 2.723 20 30 EFEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946175 1281984000 /nfs/dbraw/zinc/98/40/00/1281984000.db2.gz SATCIZOTKLPHCA-ROUUACIJSA-N 2 2 342.487 2.561 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086947889 1281988432 /nfs/dbraw/zinc/98/84/32/1281988432.db2.gz KAJKESCKHLKFRU-IAGOWNOFSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086947889 1281988434 /nfs/dbraw/zinc/98/84/34/1281988434.db2.gz KAJKESCKHLKFRU-IAGOWNOFSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097108 1287592513 /nfs/dbraw/zinc/59/25/13/1287592513.db2.gz HOBBOMCFVDZIKW-HOTGVXAUSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717485 1283222099 /nfs/dbraw/zinc/22/20/99/1283222099.db2.gz WNHXVBOAEGVWGV-ROUUACIJSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717485 1283222102 /nfs/dbraw/zinc/22/21/02/1283222102.db2.gz WNHXVBOAEGVWGV-ROUUACIJSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176001028 1287650750 /nfs/dbraw/zinc/65/07/50/1287650750.db2.gz YQMBOWQPGMIUGB-INIZCTEOSA-N 2 2 341.459 2.722 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519064 1283778509 /nfs/dbraw/zinc/77/85/09/1283778509.db2.gz SDPGPAMZTKBGMQ-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519064 1283778514 /nfs/dbraw/zinc/77/85/14/1283778514.db2.gz SDPGPAMZTKBGMQ-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379793 1283840684 /nfs/dbraw/zinc/84/06/84/1283840684.db2.gz JJTQMTDBPYYFJO-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379793 1283840696 /nfs/dbraw/zinc/84/06/96/1283840696.db2.gz JJTQMTDBPYYFJO-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381258 1283845665 /nfs/dbraw/zinc/84/56/65/1283845665.db2.gz LHXBWGQDGNMYRS-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381258 1283845676 /nfs/dbraw/zinc/84/56/76/1283845676.db2.gz LHXBWGQDGNMYRS-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381257 1283845767 /nfs/dbraw/zinc/84/57/67/1283845767.db2.gz LHXBWGQDGNMYRS-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381257 1283845775 /nfs/dbraw/zinc/84/57/75/1283845775.db2.gz LHXBWGQDGNMYRS-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000815652034 1287672178 /nfs/dbraw/zinc/67/21/78/1287672178.db2.gz LUETXDBSDBBPAM-INIZCTEOSA-N 2 2 328.378 2.938 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000815652034 1287672180 /nfs/dbraw/zinc/67/21/80/1287672180.db2.gz LUETXDBSDBBPAM-INIZCTEOSA-N 2 2 328.378 2.938 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036861122 1284381914 /nfs/dbraw/zinc/38/19/14/1284381914.db2.gz UDVHWLMTVGBJRQ-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036861122 1284381922 /nfs/dbraw/zinc/38/19/22/1284381922.db2.gz UDVHWLMTVGBJRQ-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919200 1284466870 /nfs/dbraw/zinc/46/68/70/1284466870.db2.gz FVKILAVLVYMGHS-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132921228 1284468877 /nfs/dbraw/zinc/46/88/77/1284468877.db2.gz YDSCYSSUBLZBKP-FUHWJXTLSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132981984 1284566701 /nfs/dbraw/zinc/56/67/01/1284566701.db2.gz IWYLTQNRWMEULH-HOTGVXAUSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001133012852 1284656183 /nfs/dbraw/zinc/65/61/83/1284656183.db2.gz VGGNCPHODIXWOD-FUHWJXTLSA-N 2 2 338.455 2.746 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135712 1284850044 /nfs/dbraw/zinc/85/00/44/1284850044.db2.gz VTOVGLFIPGSHMU-SJORKVTESA-N 2 2 334.508 2.997 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094505312 1285201931 /nfs/dbraw/zinc/20/19/31/1285201931.db2.gz IVICMDOTUZSXPU-WRWLIDTKSA-N 2 2 342.487 2.767 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094505312 1285201941 /nfs/dbraw/zinc/20/19/41/1285201941.db2.gz IVICMDOTUZSXPU-WRWLIDTKSA-N 2 2 342.487 2.767 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355224 1285250706 /nfs/dbraw/zinc/25/07/06/1285250706.db2.gz WMCPJZOQFPNMKD-ZWKOTPCHSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363222 1285263956 /nfs/dbraw/zinc/26/39/56/1285263956.db2.gz FSJYAXCXCDPUCO-ROUUACIJSA-N 2 2 332.492 2.704 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160376 1285440175 /nfs/dbraw/zinc/44/01/75/1285440175.db2.gz MAQRAPKDOOBKTF-XWSJACJDSA-N 2 2 327.472 2.587 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160376 1285440185 /nfs/dbraw/zinc/44/01/85/1285440185.db2.gz MAQRAPKDOOBKTF-XWSJACJDSA-N 2 2 327.472 2.587 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179006161 1289019108 /nfs/dbraw/zinc/01/91/08/1289019108.db2.gz HJEDSKMVMDTIEK-UHFFFAOYSA-N 2 2 334.851 2.967 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595786 1285667968 /nfs/dbraw/zinc/66/79/68/1285667968.db2.gz GNBIFTFQCPIWIP-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171603829 1285673405 /nfs/dbraw/zinc/67/34/05/1285673405.db2.gz CRHORZLXXWMCTD-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCO[C@H]3CCCCO3)CC2)cc1 ZINC000813333030 1285815716 /nfs/dbraw/zinc/81/57/16/1285815716.db2.gz IJNZXIXLRKTEFL-FQEVSTJZSA-N 2 2 343.471 2.655 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171978174 1285962309 /nfs/dbraw/zinc/96/23/09/1285962309.db2.gz WYRIJWOSWLIFSV-ROUUACIJSA-N 2 2 347.503 2.939 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)NO ZINC001171978174 1285962316 /nfs/dbraw/zinc/96/23/16/1285962316.db2.gz WYRIJWOSWLIFSV-ROUUACIJSA-N 2 2 347.503 2.939 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134375963 1286612408 /nfs/dbraw/zinc/61/24/08/1286612408.db2.gz GNMLVRIXYUTKJJ-QWHCGFSZSA-N 2 2 334.851 2.882 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134404310 1286661795 /nfs/dbraw/zinc/66/17/95/1286661795.db2.gz ZJDHHVHTSQBWAW-CVEARBPZSA-N 2 2 332.492 2.601 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134404311 1286662830 /nfs/dbraw/zinc/66/28/30/1286662830.db2.gz ZJDHHVHTSQBWAW-HOTGVXAUSA-N 2 2 332.492 2.601 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402490 1287980082 /nfs/dbraw/zinc/98/00/82/1287980082.db2.gz YEHODXGKNROWKN-IAGOWNOFSA-N 2 2 334.508 2.972 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769050 1288126391 /nfs/dbraw/zinc/12/63/91/1288126391.db2.gz CSTPZTKYNIFIDB-HKUYNNGSSA-N 2 2 346.519 2.915 20 30 EFEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680407 1288252622 /nfs/dbraw/zinc/25/26/22/1288252622.db2.gz VMTYCIOYFBHOCK-HOTGVXAUSA-N 2 2 328.460 2.634 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177437133 1288441056 /nfs/dbraw/zinc/44/10/56/1288441056.db2.gz MYPNLAVWYDOYOW-INIZCTEOSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177437133 1288441060 /nfs/dbraw/zinc/44/10/60/1288441060.db2.gz MYPNLAVWYDOYOW-INIZCTEOSA-N 2 2 332.492 2.773 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135915844 1288594722 /nfs/dbraw/zinc/59/47/22/1288594722.db2.gz CTXAKQLPHNMBAR-KGLIPLIRSA-N 2 2 347.850 2.506 20 30 EFEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165750181 1312675116 /nfs/dbraw/zinc/67/51/16/1312675116.db2.gz PHJLNNIVRMFJGZ-UHFFFAOYSA-N 2 2 332.835 2.805 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864220 1288947756 /nfs/dbraw/zinc/94/77/56/1288947756.db2.gz FYXWKKDJLZQFQQ-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179019398 1289006912 /nfs/dbraw/zinc/00/69/12/1289006912.db2.gz UZLBZDIVCULCOA-BZSNNMDCSA-N 2 2 346.519 2.995 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179019400 1289006942 /nfs/dbraw/zinc/00/69/42/1289006942.db2.gz UZLBZDIVCULCOA-KSZLIROESA-N 2 2 346.519 2.995 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022690 1289009442 /nfs/dbraw/zinc/00/94/42/1289009442.db2.gz SKWBITSLAUPRFY-SCTDSRPQSA-N 2 2 344.503 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165834871 1312689528 /nfs/dbraw/zinc/68/95/28/1312689528.db2.gz FHVSLVFOJBEYOV-IAGOWNOFSA-N 2 2 344.503 2.676 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849390 1312691754 /nfs/dbraw/zinc/69/17/54/1312691754.db2.gz QGJBCFZNTNTTSM-SJORKVTESA-N 2 2 344.503 2.676 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001180047200 1289372951 /nfs/dbraw/zinc/37/29/51/1289372951.db2.gz MUNCUXOBHSBGOS-UHFFFAOYSA-N 2 2 341.459 2.723 20 30 EFEDLP C=CC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001180357405 1289494981 /nfs/dbraw/zinc/49/49/81/1289494981.db2.gz SPUUFDSEUPXNHS-UHFFFAOYSA-N 2 2 335.517 2.558 20 30 EFEDLP C=CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001180357405 1289494987 /nfs/dbraw/zinc/49/49/87/1289494987.db2.gz SPUUFDSEUPXNHS-UHFFFAOYSA-N 2 2 335.517 2.558 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322548 1312761413 /nfs/dbraw/zinc/76/14/13/1312761413.db2.gz JJUNGIGKPAGIAD-UHFFFAOYSA-N 2 2 346.519 2.975 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669412 1290236015 /nfs/dbraw/zinc/23/60/15/1290236015.db2.gz OQWHTIBCQXIJDI-WOCWXWTJSA-N 2 2 344.503 2.564 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183562486 1290363224 /nfs/dbraw/zinc/36/32/24/1290363224.db2.gz NSBHYVRFPUJFPW-QGZVFWFLSA-N 2 2 332.492 2.864 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184653894 1290490271 /nfs/dbraw/zinc/49/02/71/1290490271.db2.gz SRXZBGQCSYYWGQ-LSDHHAIUSA-N 2 2 326.444 2.827 20 30 EFEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184850755 1290527369 /nfs/dbraw/zinc/52/73/69/1290527369.db2.gz FWBKJCMELRUVPO-YJBOKZPZSA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCCCC[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273501069 1290638834 /nfs/dbraw/zinc/63/88/34/1290638834.db2.gz QUXCXBPZWAZUER-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185382285 1290662178 /nfs/dbraw/zinc/66/21/78/1290662178.db2.gz YKGLZIUJTQLBIY-DLBZAZTESA-N 2 2 332.492 2.773 20 30 EFEDLP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c1 ZINC001232965260 1312820311 /nfs/dbraw/zinc/82/03/11/1312820311.db2.gz SHDGNZQQBARUEJ-CTNGQTDRSA-N 2 2 349.482 2.554 20 30 EFEDLP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c1 ZINC001232965260 1312820315 /nfs/dbraw/zinc/82/03/15/1312820315.db2.gz SHDGNZQQBARUEJ-CTNGQTDRSA-N 2 2 349.482 2.554 20 30 EFEDLP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c1 ZINC001232965260 1312820316 /nfs/dbraw/zinc/82/03/16/1312820316.db2.gz SHDGNZQQBARUEJ-CTNGQTDRSA-N 2 2 349.482 2.554 20 30 EFEDLP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c1 ZINC001232965260 1312820321 /nfs/dbraw/zinc/82/03/21/1312820321.db2.gz SHDGNZQQBARUEJ-CTNGQTDRSA-N 2 2 349.482 2.554 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001137116973 1291142054 /nfs/dbraw/zinc/14/20/54/1291142054.db2.gz XFXYKQRUGZQBHV-PMACEKPBSA-N 2 2 348.450 2.548 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714976 1291219262 /nfs/dbraw/zinc/21/92/62/1291219262.db2.gz XNKDKWJNFANBLE-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714976 1291219269 /nfs/dbraw/zinc/21/92/69/1291219269.db2.gz XNKDKWJNFANBLE-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000957289239 1291334321 /nfs/dbraw/zinc/33/43/21/1291334321.db2.gz VOXXRGIAYMMTCJ-HXUWFJFHSA-N 2 2 329.488 2.574 20 30 EFEDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082995 1312852414 /nfs/dbraw/zinc/85/24/14/1312852414.db2.gz OCNQVGGIEYCNEN-HXUWFJFHSA-N 2 2 327.472 2.942 20 30 EFEDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082995 1312852417 /nfs/dbraw/zinc/85/24/17/1312852417.db2.gz OCNQVGGIEYCNEN-HXUWFJFHSA-N 2 2 327.472 2.942 20 30 EFEDLP CC(=O)[C@](C#N)(CC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000878172319 1291533979 /nfs/dbraw/zinc/53/39/79/1291533979.db2.gz GJLQYMNFFQUQLA-HXUWFJFHSA-N 2 2 336.439 2.961 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957557888 1291763186 /nfs/dbraw/zinc/76/31/86/1291763186.db2.gz LXRIUVDIQBRLTH-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957557888 1291763190 /nfs/dbraw/zinc/76/31/90/1291763190.db2.gz LXRIUVDIQBRLTH-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203229364 1312892482 /nfs/dbraw/zinc/89/24/82/1312892482.db2.gz FJDWLSUDEGNSPG-RTBURBONSA-N 2 2 348.450 2.526 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476051 1312903744 /nfs/dbraw/zinc/90/37/44/1312903744.db2.gz BOOJDYXVXDMXMM-ROUUACIJSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476051 1312903746 /nfs/dbraw/zinc/90/37/46/1312903746.db2.gz BOOJDYXVXDMXMM-ROUUACIJSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480575 1292177145 /nfs/dbraw/zinc/17/71/45/1292177145.db2.gz CYFUGVYZCXOWDG-FGTMMUONSA-N 2 2 330.476 2.551 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480575 1292177147 /nfs/dbraw/zinc/17/71/47/1292177147.db2.gz CYFUGVYZCXOWDG-FGTMMUONSA-N 2 2 330.476 2.551 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001233384554 1312918284 /nfs/dbraw/zinc/91/82/84/1312918284.db2.gz ZLJZQHMXPBKWDW-IRXDYDNUSA-N 2 2 339.464 2.889 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900123 1292346193 /nfs/dbraw/zinc/34/61/93/1292346193.db2.gz OCMZRYQYACEUPC-DLBZAZTESA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900123 1292346202 /nfs/dbraw/zinc/34/62/02/1292346202.db2.gz OCMZRYQYACEUPC-DLBZAZTESA-N 2 2 332.492 2.814 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001114817046 1292398752 /nfs/dbraw/zinc/39/87/52/1292398752.db2.gz NOKMDRXWBWONOX-LISAXSMJSA-N 2 2 344.503 2.846 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001114817046 1292398764 /nfs/dbraw/zinc/39/87/64/1292398764.db2.gz NOKMDRXWBWONOX-LISAXSMJSA-N 2 2 344.503 2.846 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010831 1292423405 /nfs/dbraw/zinc/42/34/05/1292423405.db2.gz QSRYIZWKAWNOQJ-ZWKOTPCHSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010831 1292423409 /nfs/dbraw/zinc/42/34/09/1292423409.db2.gz QSRYIZWKAWNOQJ-ZWKOTPCHSA-N 2 2 346.519 2.949 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012457 1292425105 /nfs/dbraw/zinc/42/51/05/1292425105.db2.gz ZRCIGXHXTFQCDP-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012457 1292425107 /nfs/dbraw/zinc/42/51/07/1292425107.db2.gz ZRCIGXHXTFQCDP-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012325 1292425420 /nfs/dbraw/zinc/42/54/20/1292425420.db2.gz XMIGNGMDHZALLP-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191012325 1292425427 /nfs/dbraw/zinc/42/54/27/1292425427.db2.gz XMIGNGMDHZALLP-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001049507546 1312941292 /nfs/dbraw/zinc/94/12/92/1312941292.db2.gz KDCXTLMYQQCKLS-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049507546 1312941294 /nfs/dbraw/zinc/94/12/94/1312941294.db2.gz KDCXTLMYQQCKLS-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049507546 1312941296 /nfs/dbraw/zinc/94/12/96/1312941296.db2.gz KDCXTLMYQQCKLS-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049507546 1312941299 /nfs/dbraw/zinc/94/12/99/1312941299.db2.gz KDCXTLMYQQCKLS-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001016726985 1312946682 /nfs/dbraw/zinc/94/66/82/1312946682.db2.gz PNQPPZUZHLSYTR-KRWDZBQOSA-N 2 2 338.455 2.885 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513948 1312949277 /nfs/dbraw/zinc/94/92/77/1312949277.db2.gz XWWAFOCUNKIGHS-IAGOWNOFSA-N 2 2 345.512 2.512 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513948 1312949278 /nfs/dbraw/zinc/94/92/78/1312949278.db2.gz XWWAFOCUNKIGHS-IAGOWNOFSA-N 2 2 345.512 2.512 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2OCC)CC1 ZINC001203545153 1312951720 /nfs/dbraw/zinc/95/17/20/1312951720.db2.gz AKQIZWYWQJOELD-UHFFFAOYSA-N 2 2 343.515 2.877 20 30 EFEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203564170 1312957598 /nfs/dbraw/zinc/95/75/98/1312957598.db2.gz UDMOKVNKGXXHDG-MOPGFXCFSA-N 2 2 348.450 2.526 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524826 1312965752 /nfs/dbraw/zinc/96/57/52/1312965752.db2.gz BMJWRZNUQWJNIZ-XYVMCAHJSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524826 1312965755 /nfs/dbraw/zinc/96/57/55/1312965755.db2.gz BMJWRZNUQWJNIZ-XYVMCAHJSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524826 1312965759 /nfs/dbraw/zinc/96/57/59/1312965759.db2.gz BMJWRZNUQWJNIZ-XYVMCAHJSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524826 1312965763 /nfs/dbraw/zinc/96/57/63/1312965763.db2.gz BMJWRZNUQWJNIZ-XYVMCAHJSA-N 2 2 328.460 2.545 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605334 1312968791 /nfs/dbraw/zinc/96/87/91/1312968791.db2.gz KKVAODZTEFAALC-MSOLQXFVSA-N 2 2 344.503 2.726 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605639 1312969096 /nfs/dbraw/zinc/96/90/96/1312969096.db2.gz LDZJYGUDLRXSGF-MSOLQXFVSA-N 2 2 346.519 2.950 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780109 1293036544 /nfs/dbraw/zinc/03/65/44/1293036544.db2.gz ZPLJDNKVKAYHOO-SJLPKXTDSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780109 1293036554 /nfs/dbraw/zinc/03/65/54/1293036554.db2.gz ZPLJDNKVKAYHOO-SJLPKXTDSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780109 1293036566 /nfs/dbraw/zinc/03/65/66/1293036566.db2.gz ZPLJDNKVKAYHOO-SJLPKXTDSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780109 1293036577 /nfs/dbraw/zinc/03/65/77/1293036577.db2.gz ZPLJDNKVKAYHOO-SJLPKXTDSA-N 2 2 332.492 2.867 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192904607 1293093755 /nfs/dbraw/zinc/09/37/55/1293093755.db2.gz BCMNCJGTJDHYSH-MRXNPFEDSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192904607 1293093760 /nfs/dbraw/zinc/09/37/60/1293093760.db2.gz BCMNCJGTJDHYSH-MRXNPFEDSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192904607 1293093773 /nfs/dbraw/zinc/09/37/73/1293093773.db2.gz BCMNCJGTJDHYSH-MRXNPFEDSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424335 1293303406 /nfs/dbraw/zinc/30/34/06/1293303406.db2.gz MHDBWFOFLMUIEH-QZTJIDSGSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424335 1293303412 /nfs/dbraw/zinc/30/34/12/1293303412.db2.gz MHDBWFOFLMUIEH-QZTJIDSGSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424335 1293303420 /nfs/dbraw/zinc/30/34/20/1293303420.db2.gz MHDBWFOFLMUIEH-QZTJIDSGSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424335 1293303425 /nfs/dbraw/zinc/30/34/25/1293303425.db2.gz MHDBWFOFLMUIEH-QZTJIDSGSA-N 2 2 349.906 2.965 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203932643 1313050554 /nfs/dbraw/zinc/05/05/54/1313050554.db2.gz MMDLKYNIACWKRZ-LPHOPBHVSA-N 2 2 344.503 2.620 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309942 1294186676 /nfs/dbraw/zinc/18/66/76/1294186676.db2.gz KCAAFDAVNCICGV-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309942 1294186680 /nfs/dbraw/zinc/18/66/80/1294186680.db2.gz KCAAFDAVNCICGV-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589697 1313058815 /nfs/dbraw/zinc/05/88/15/1313058815.db2.gz AWCPEWUGSPXKSJ-SJORKVTESA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589697 1313058817 /nfs/dbraw/zinc/05/88/17/1313058817.db2.gz AWCPEWUGSPXKSJ-SJORKVTESA-N 2 2 344.846 2.766 20 30 EFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000303694225 1294562646 /nfs/dbraw/zinc/56/26/46/1294562646.db2.gz CSLPOEHOSHRNEB-KRWDZBQOSA-N 2 2 342.443 2.733 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000303791614 1294583858 /nfs/dbraw/zinc/58/38/58/1294583858.db2.gz XUNIGYHFIIBLPO-KRWDZBQOSA-N 2 2 330.407 2.864 20 30 EFEDLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303976230 1294613815 /nfs/dbraw/zinc/61/38/15/1294613815.db2.gz JYWFXDNYJDLXDD-LLVKDONJSA-N 2 2 347.290 2.537 20 30 EFEDLP COCC[N@H+](C)CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303976230 1294613811 /nfs/dbraw/zinc/61/38/11/1294613811.db2.gz JYWFXDNYJDLXDD-LLVKDONJSA-N 2 2 347.290 2.537 20 30 EFEDLP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626666 1313106275 /nfs/dbraw/zinc/10/62/75/1313106275.db2.gz NAWDRFBZSQEJOL-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626666 1313106276 /nfs/dbraw/zinc/10/62/76/1313106276.db2.gz NAWDRFBZSQEJOL-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CC1CCN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)CC1 ZINC001198022545 1294851090 /nfs/dbraw/zinc/85/10/90/1294851090.db2.gz VYJCRWTVRKTXHA-UHFFFAOYSA-N 2 2 341.499 2.556 20 30 EFEDLP C#CC1CCN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)CC1 ZINC001198022545 1294851099 /nfs/dbraw/zinc/85/10/99/1294851099.db2.gz VYJCRWTVRKTXHA-UHFFFAOYSA-N 2 2 341.499 2.556 20 30 EFEDLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)[nH+]c1C ZINC000886670376 1295097096 /nfs/dbraw/zinc/09/70/96/1295097096.db2.gz NVHBOYWAIYGIDU-HNAYVOBHSA-N 2 2 345.491 2.649 20 30 EFEDLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)[nH+]c1C ZINC000886670375 1295097966 /nfs/dbraw/zinc/09/79/66/1295097966.db2.gz NVHBOYWAIYGIDU-DNVCBOLYSA-N 2 2 345.491 2.649 20 30 EFEDLP C=CCC1(O)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000886778590 1295148631 /nfs/dbraw/zinc/14/86/31/1295148631.db2.gz IZVVYMJCICLATP-HXUWFJFHSA-N 2 2 344.499 2.681 20 30 EFEDLP C=CCC1(O)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000886778590 1295148635 /nfs/dbraw/zinc/14/86/35/1295148635.db2.gz IZVVYMJCICLATP-HXUWFJFHSA-N 2 2 344.499 2.681 20 30 EFEDLP N#Cc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001204370823 1313131410 /nfs/dbraw/zinc/13/14/10/1313131410.db2.gz MRWJGJQDXGWITO-UHFFFAOYSA-N 2 2 349.482 2.799 20 30 EFEDLP N#Cc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001204370823 1313131413 /nfs/dbraw/zinc/13/14/13/1313131413.db2.gz MRWJGJQDXGWITO-UHFFFAOYSA-N 2 2 349.482 2.799 20 30 EFEDLP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)C1 ZINC001204848748 1313202571 /nfs/dbraw/zinc/20/25/71/1313202571.db2.gz SLEIWDGPEXYYBH-QGZVFWFLSA-N 2 2 335.492 2.629 20 30 EFEDLP CCSCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914136 1313218225 /nfs/dbraw/zinc/21/82/25/1313218225.db2.gz QRLRKAOAXZWJCU-LJQANCHMSA-N 2 2 346.544 2.938 20 30 EFEDLP CCSCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914136 1313218228 /nfs/dbraw/zinc/21/82/28/1313218228.db2.gz QRLRKAOAXZWJCU-LJQANCHMSA-N 2 2 346.544 2.938 20 30 EFEDLP CCSCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914136 1313218231 /nfs/dbraw/zinc/21/82/31/1313218231.db2.gz QRLRKAOAXZWJCU-LJQANCHMSA-N 2 2 346.544 2.938 20 30 EFEDLP CCSCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277914136 1313218234 /nfs/dbraw/zinc/21/82/34/1313218234.db2.gz QRLRKAOAXZWJCU-LJQANCHMSA-N 2 2 346.544 2.938 20 30 EFEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001275969042 1296464790 /nfs/dbraw/zinc/46/47/90/1296464790.db2.gz XWBGNZFVCFJSMT-UHFFFAOYSA-N 2 2 340.515 2.798 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCCO1 ZINC001201023705 1296524276 /nfs/dbraw/zinc/52/42/76/1296524276.db2.gz QJHPTICQSJMVFU-GOSISDBHSA-N 2 2 345.487 2.794 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCCO1 ZINC001201031927 1296551634 /nfs/dbraw/zinc/55/16/34/1296551634.db2.gz CRMRSVGYVDXNOA-SFHVURJKSA-N 2 2 345.487 2.794 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001201224602 1296670993 /nfs/dbraw/zinc/67/09/93/1296670993.db2.gz ZNZFRJLDNNCXLQ-OAHLLOKOSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960274942 1296686828 /nfs/dbraw/zinc/68/68/28/1296686828.db2.gz HFPRJEYSFDGXFY-FGTMMUONSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960274942 1296686841 /nfs/dbraw/zinc/68/68/41/1296686841.db2.gz HFPRJEYSFDGXFY-FGTMMUONSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049782894 1313296556 /nfs/dbraw/zinc/29/65/56/1313296556.db2.gz RWWPJKBIRZECLH-CGTJXYLNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049782894 1313296558 /nfs/dbraw/zinc/29/65/58/1313296558.db2.gz RWWPJKBIRZECLH-CGTJXYLNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049782894 1313296562 /nfs/dbraw/zinc/29/65/62/1313296562.db2.gz RWWPJKBIRZECLH-CGTJXYLNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049782894 1313296566 /nfs/dbraw/zinc/29/65/66/1313296566.db2.gz RWWPJKBIRZECLH-CGTJXYLNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555957 1313311733 /nfs/dbraw/zinc/31/17/33/1313311733.db2.gz HTYMCSHKRSCPQL-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570944 1313314722 /nfs/dbraw/zinc/31/47/22/1313314722.db2.gz QJMDCKLLFBRFMN-HNNXBMFYSA-N 2 2 340.240 2.974 20 30 EFEDLP N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570944 1313314725 /nfs/dbraw/zinc/31/47/25/1313314725.db2.gz QJMDCKLLFBRFMN-HNNXBMFYSA-N 2 2 340.240 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806157 1313322649 /nfs/dbraw/zinc/32/26/49/1313322649.db2.gz MIRSEHHZQASRDG-DLBZAZTESA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806157 1313322653 /nfs/dbraw/zinc/32/26/53/1313322653.db2.gz MIRSEHHZQASRDG-DLBZAZTESA-N 2 2 339.911 2.536 20 30 EFEDLP N#CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949587 1313337646 /nfs/dbraw/zinc/33/76/46/1313337646.db2.gz YDJOCWUYRBOXBB-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949587 1313337654 /nfs/dbraw/zinc/33/76/54/1313337654.db2.gz YDJOCWUYRBOXBB-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949587 1313337657 /nfs/dbraw/zinc/33/76/57/1313337657.db2.gz YDJOCWUYRBOXBB-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949587 1313337661 /nfs/dbraw/zinc/33/76/61/1313337661.db2.gz YDJOCWUYRBOXBB-LJQANCHMSA-N 2 2 328.460 2.769 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049818788 1313339256 /nfs/dbraw/zinc/33/92/56/1313339256.db2.gz ALDLPJQRDHXTJC-RTBURBONSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049818788 1313339260 /nfs/dbraw/zinc/33/92/60/1313339260.db2.gz ALDLPJQRDHXTJC-RTBURBONSA-N 2 2 336.439 2.737 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819284 1313339580 /nfs/dbraw/zinc/33/95/80/1313339580.db2.gz DQTUZDHCQKXMLV-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819284 1313339584 /nfs/dbraw/zinc/33/95/84/1313339584.db2.gz DQTUZDHCQKXMLV-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522559 1313343046 /nfs/dbraw/zinc/34/30/46/1313343046.db2.gz QFWHZCRTDWDJHQ-HKBOAZHASA-N 2 2 344.499 2.630 20 30 EFEDLP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522559 1313343051 /nfs/dbraw/zinc/34/30/51/1313343051.db2.gz QFWHZCRTDWDJHQ-HKBOAZHASA-N 2 2 344.499 2.630 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000106268302 1297143986 /nfs/dbraw/zinc/14/39/86/1297143986.db2.gz COSBJTYJHGOCLS-UHFFFAOYSA-N 2 2 346.475 2.547 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847671 1313383031 /nfs/dbraw/zinc/38/30/31/1313383031.db2.gz ZCEFOVJFWKNUDP-IRXDYDNUSA-N 2 2 348.878 2.579 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847671 1313383036 /nfs/dbraw/zinc/38/30/36/1313383036.db2.gz ZCEFOVJFWKNUDP-IRXDYDNUSA-N 2 2 348.878 2.579 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235800238 1313399353 /nfs/dbraw/zinc/39/93/53/1313399353.db2.gz ZCHLXDLUMYWWHZ-DLBZAZTESA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235800238 1313399356 /nfs/dbraw/zinc/39/93/56/1313399356.db2.gz ZCHLXDLUMYWWHZ-DLBZAZTESA-N 2 2 332.492 2.814 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CO1 ZINC001235968333 1313424854 /nfs/dbraw/zinc/42/48/54/1313424854.db2.gz HERWOSWPOXZBBN-IRXDYDNUSA-N 2 2 329.444 2.516 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CO1 ZINC001235968333 1313424856 /nfs/dbraw/zinc/42/48/56/1313424856.db2.gz HERWOSWPOXZBBN-IRXDYDNUSA-N 2 2 329.444 2.516 20 30 EFEDLP N#Cc1cccc(O[C@H]2CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001235970199 1313425033 /nfs/dbraw/zinc/42/50/33/1313425033.db2.gz ZHTSSSYWCYDTHK-CTNGQTDRSA-N 2 2 335.451 2.971 20 30 EFEDLP N#Cc1cccc(O[C@H]2CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001235970199 1313425034 /nfs/dbraw/zinc/42/50/34/1313425034.db2.gz ZHTSSSYWCYDTHK-CTNGQTDRSA-N 2 2 335.451 2.971 20 30 EFEDLP N#Cc1cccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)c1 ZINC001236142675 1313446259 /nfs/dbraw/zinc/44/62/59/1313446259.db2.gz BWTYKTPZXFVWIM-UHFFFAOYSA-N 2 2 326.488 2.993 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001017652323 1313455306 /nfs/dbraw/zinc/45/53/06/1313455306.db2.gz FTIKJSUEDXEOAU-CALCHBBNSA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001017652323 1313455307 /nfs/dbraw/zinc/45/53/07/1313455307.db2.gz FTIKJSUEDXEOAU-CALCHBBNSA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 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WPIRLBUIOIRBST-RTBURBONSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259104 1298438242 /nfs/dbraw/zinc/43/82/42/1298438242.db2.gz GBVYQYYNVPEIJP-DLBZAZTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259104 1298438249 /nfs/dbraw/zinc/43/82/49/1298438249.db2.gz GBVYQYYNVPEIJP-DLBZAZTESA-N 2 2 344.503 2.824 20 30 EFEDLP CCCCCCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872526 1313531996 /nfs/dbraw/zinc/53/19/96/1313531996.db2.gz INYAFJOTMYQRAG-UHFFFAOYSA-N 2 2 334.508 2.761 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425689 1298733324 /nfs/dbraw/zinc/73/33/24/1298733324.db2.gz ZLOMSTMBMBDNGB-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425689 1298733334 /nfs/dbraw/zinc/73/33/34/1298733334.db2.gz ZLOMSTMBMBDNGB-SJLPKXTDSA-N 2 2 344.503 2.725 20 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C/CCC ZINC001110678758 1300458717 /nfs/dbraw/zinc/45/87/17/1300458717.db2.gz GDKXQPOIYCUKRT-GDFACCDQSA-N 2 2 343.515 2.552 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325896 1300604542 /nfs/dbraw/zinc/60/45/42/1300604542.db2.gz SVXBYESHFKJLDB-ROUUACIJSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325896 1300604548 /nfs/dbraw/zinc/60/45/48/1300604548.db2.gz SVXBYESHFKJLDB-ROUUACIJSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC001237792533 1313707220 /nfs/dbraw/zinc/70/72/20/1313707220.db2.gz LXLADMSZJKXBML-UHFFFAOYSA-N 2 2 346.544 2.812 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339305 1300638685 /nfs/dbraw/zinc/63/86/85/1300638685.db2.gz GKXIFQPAOJZEOR-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339305 1300638691 /nfs/dbraw/zinc/63/86/91/1300638691.db2.gz GKXIFQPAOJZEOR-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963341519 1300645619 /nfs/dbraw/zinc/64/56/19/1300645619.db2.gz XWIPXERHVIUXEN-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963341519 1300645625 /nfs/dbraw/zinc/64/56/25/1300645625.db2.gz XWIPXERHVIUXEN-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437609 1300856624 /nfs/dbraw/zinc/85/66/24/1300856624.db2.gz BIUOGGJLBKZBEV-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437609 1300856644 /nfs/dbraw/zinc/85/66/44/1300856644.db2.gz BIUOGGJLBKZBEV-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165814 1313734845 /nfs/dbraw/zinc/73/48/45/1313734845.db2.gz BAVWPJFLRNZUJY-NRFANRHFSA-N 2 2 349.482 2.812 20 30 EFEDLP N#Cc1ccc(CC[N@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165814 1313734847 /nfs/dbraw/zinc/73/48/47/1313734847.db2.gz BAVWPJFLRNZUJY-NRFANRHFSA-N 2 2 349.482 2.812 20 30 EFEDLP N#Cc1ccc(CC[NH+]2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165814 1313734850 /nfs/dbraw/zinc/73/48/50/1313734850.db2.gz BAVWPJFLRNZUJY-NRFANRHFSA-N 2 2 349.482 2.812 20 30 EFEDLP N#Cc1ccc(CC[NH+]2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165814 1313734852 /nfs/dbraw/zinc/73/48/52/1313734852.db2.gz BAVWPJFLRNZUJY-NRFANRHFSA-N 2 2 349.482 2.812 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681614 1313748613 /nfs/dbraw/zinc/74/86/13/1313748613.db2.gz ZVRPBLPGNIHABD-HYVNUMGLSA-N 2 2 332.492 2.718 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681614 1313748616 /nfs/dbraw/zinc/74/86/16/1313748616.db2.gz ZVRPBLPGNIHABD-HYVNUMGLSA-N 2 2 332.492 2.718 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681613 1313748702 /nfs/dbraw/zinc/74/87/02/1313748702.db2.gz ZVRPBLPGNIHABD-DJIMGWMZSA-N 2 2 332.492 2.718 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681613 1313748703 /nfs/dbraw/zinc/74/87/03/1313748703.db2.gz ZVRPBLPGNIHABD-DJIMGWMZSA-N 2 2 332.492 2.718 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702928 1313753809 /nfs/dbraw/zinc/75/38/09/1313753809.db2.gz BHEFBJBUFDCFRY-QWQRMKEZSA-N 2 2 326.444 2.968 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702928 1313753810 /nfs/dbraw/zinc/75/38/10/1313753810.db2.gz BHEFBJBUFDCFRY-QWQRMKEZSA-N 2 2 326.444 2.968 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCCF)C3)cc1C#N ZINC001278205411 1313786670 /nfs/dbraw/zinc/78/66/70/1313786670.db2.gz KWDNGKHLJRMHFD-LJQANCHMSA-N 2 2 332.467 2.934 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCCF)C3)cc1C#N ZINC001278205411 1313786673 /nfs/dbraw/zinc/78/66/73/1313786673.db2.gz KWDNGKHLJRMHFD-LJQANCHMSA-N 2 2 332.467 2.934 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCCF)C3)cc1C#N ZINC001278205411 1313786677 /nfs/dbraw/zinc/78/66/77/1313786677.db2.gz KWDNGKHLJRMHFD-LJQANCHMSA-N 2 2 332.467 2.934 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCCF)C3)cc1C#N ZINC001278205411 1313786681 /nfs/dbraw/zinc/78/66/81/1313786681.db2.gz KWDNGKHLJRMHFD-LJQANCHMSA-N 2 2 332.467 2.934 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001208118304 1313851237 /nfs/dbraw/zinc/85/12/37/1313851237.db2.gz MFPJHXOSWOMCOY-UHFFFAOYSA-N 2 2 349.469 2.799 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387589 1313917130 /nfs/dbraw/zinc/91/71/30/1313917130.db2.gz WFCZWQYUFWUMGA-HOTGVXAUSA-N 2 2 338.883 2.803 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387591 1313917176 /nfs/dbraw/zinc/91/71/76/1313917176.db2.gz WFCZWQYUFWUMGA-HZPDHXFCSA-N 2 2 338.883 2.803 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450637 1313931840 /nfs/dbraw/zinc/93/18/40/1313931840.db2.gz IWMPGABUPPUYPM-MSOLQXFVSA-N 2 2 346.519 2.997 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453717 1313933108 /nfs/dbraw/zinc/93/31/08/1313933108.db2.gz NQEFAZVNHMTXQS-MSOLQXFVSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486135 1304008878 /nfs/dbraw/zinc/00/88/78/1304008878.db2.gz CKMLQLNIIFGMOL-GDBMZVCRSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486135 1304008882 /nfs/dbraw/zinc/00/88/82/1304008882.db2.gz CKMLQLNIIFGMOL-GDBMZVCRSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090394 1304655749 /nfs/dbraw/zinc/65/57/49/1304655749.db2.gz TXCXYRPHDAETRV-PXAZEXFGSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090394 1304655754 /nfs/dbraw/zinc/65/57/54/1304655754.db2.gz TXCXYRPHDAETRV-PXAZEXFGSA-N 2 2 346.862 2.835 20 30 EFEDLP N#Cc1cccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001208850070 1314029165 /nfs/dbraw/zinc/02/91/65/1314029165.db2.gz WAHMZCLCQBVQOW-NHCUHLMSSA-N 2 2 346.478 2.950 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498908 1305081953 /nfs/dbraw/zinc/08/19/53/1305081953.db2.gz PPURGYYHHFOLQV-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498908 1305081958 /nfs/dbraw/zinc/08/19/58/1305081958.db2.gz PPURGYYHHFOLQV-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1CC ZINC001037945758 1305128340 /nfs/dbraw/zinc/12/83/40/1305128340.db2.gz LHFMTJVNBSRNLU-FUHWJXTLSA-N 2 2 340.471 2.588 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208925819 1314048053 /nfs/dbraw/zinc/04/80/53/1314048053.db2.gz UGZOPRFHFHTLJQ-NHCUHLMSSA-N 2 2 332.451 2.560 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cc(F)cc(F)c2)CC1 ZINC001209132836 1314095454 /nfs/dbraw/zinc/09/54/54/1314095454.db2.gz ZZEBXDYXBRPYDT-UHFFFAOYSA-N 2 2 349.469 2.799 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497161 1306400288 /nfs/dbraw/zinc/40/02/88/1306400288.db2.gz HNWXORHMJKCHIU-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497161 1306400291 /nfs/dbraw/zinc/40/02/91/1306400291.db2.gz HNWXORHMJKCHIU-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680898 1306563459 /nfs/dbraw/zinc/56/34/59/1306563459.db2.gz DZDVESYYVRUXMU-RDTXWAMCSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680898 1306563460 /nfs/dbraw/zinc/56/34/60/1306563460.db2.gz DZDVESYYVRUXMU-RDTXWAMCSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882309 1306754342 /nfs/dbraw/zinc/75/43/42/1306754342.db2.gz LJBGKCRBCPIQAJ-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882309 1306754351 /nfs/dbraw/zinc/75/43/51/1306754351.db2.gz LJBGKCRBCPIQAJ-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882309 1306754354 /nfs/dbraw/zinc/75/43/54/1306754354.db2.gz LJBGKCRBCPIQAJ-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926248 1306805897 /nfs/dbraw/zinc/80/58/97/1306805897.db2.gz YCHUIRKXYGZAKE-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926248 1306805902 /nfs/dbraw/zinc/80/59/02/1306805902.db2.gz YCHUIRKXYGZAKE-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926248 1306805908 /nfs/dbraw/zinc/80/59/08/1306805908.db2.gz YCHUIRKXYGZAKE-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926248 1306805916 /nfs/dbraw/zinc/80/59/16/1306805916.db2.gz YCHUIRKXYGZAKE-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP CN(C)/C=[NH+]/c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1C#N ZINC001241980662 1314169562 /nfs/dbraw/zinc/16/95/62/1314169562.db2.gz AXXNQMHMDFLQAK-LFVJCYFKSA-N 2 2 347.466 2.852 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001209562891 1314189270 /nfs/dbraw/zinc/18/92/70/1314189270.db2.gz ZWSWUMOUPRYRMH-GDBMZVCRSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209562891 1314189272 /nfs/dbraw/zinc/18/92/72/1314189272.db2.gz ZWSWUMOUPRYRMH-GDBMZVCRSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209562891 1314189273 /nfs/dbraw/zinc/18/92/73/1314189273.db2.gz ZWSWUMOUPRYRMH-GDBMZVCRSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209562891 1314189275 /nfs/dbraw/zinc/18/92/75/1314189275.db2.gz ZWSWUMOUPRYRMH-GDBMZVCRSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500161 1307473250 /nfs/dbraw/zinc/47/32/50/1307473250.db2.gz RAIHOWZIXRMFRM-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500161 1307473252 /nfs/dbraw/zinc/47/32/52/1307473252.db2.gz RAIHOWZIXRMFRM-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500161 1307473254 /nfs/dbraw/zinc/47/32/54/1307473254.db2.gz RAIHOWZIXRMFRM-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500161 1307473257 /nfs/dbraw/zinc/47/32/57/1307473257.db2.gz RAIHOWZIXRMFRM-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001007519162 1307487628 /nfs/dbraw/zinc/48/76/28/1307487628.db2.gz JROFINQARCHFMK-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001007519162 1307487634 /nfs/dbraw/zinc/48/76/34/1307487634.db2.gz JROFINQARCHFMK-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007519162 1307487638 /nfs/dbraw/zinc/48/76/38/1307487638.db2.gz JROFINQARCHFMK-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007519162 1307487641 /nfs/dbraw/zinc/48/76/41/1307487641.db2.gz JROFINQARCHFMK-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007519322 1307487662 /nfs/dbraw/zinc/48/76/62/1307487662.db2.gz OJSJUIPYDDTFHT-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007519322 1307487664 /nfs/dbraw/zinc/48/76/64/1307487664.db2.gz OJSJUIPYDDTFHT-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007519322 1307487668 /nfs/dbraw/zinc/48/76/68/1307487668.db2.gz OJSJUIPYDDTFHT-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007519322 1307487670 /nfs/dbraw/zinc/48/76/70/1307487670.db2.gz OJSJUIPYDDTFHT-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947955 1307971344 /nfs/dbraw/zinc/97/13/44/1307971344.db2.gz QGSYPOISNIKLLH-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947955 1307971348 /nfs/dbraw/zinc/97/13/48/1307971348.db2.gz QGSYPOISNIKLLH-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953383 1307987653 /nfs/dbraw/zinc/98/76/53/1307987653.db2.gz YBYKDJMPHNZOHN-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953383 1307987660 /nfs/dbraw/zinc/98/76/60/1307987660.db2.gz YBYKDJMPHNZOHN-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968820 1308029369 /nfs/dbraw/zinc/02/93/69/1308029369.db2.gz HPXPRWPYSUXJJL-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968820 1308029373 /nfs/dbraw/zinc/02/93/73/1308029373.db2.gz HPXPRWPYSUXJJL-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969588 1308033766 /nfs/dbraw/zinc/03/37/66/1308033766.db2.gz UDQQXPIPVKZILB-AZUAARDMSA-N 2 2 342.487 2.562 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969588 1308033771 /nfs/dbraw/zinc/03/37/71/1308033771.db2.gz UDQQXPIPVKZILB-AZUAARDMSA-N 2 2 342.487 2.562 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981795 1308072009 /nfs/dbraw/zinc/07/20/09/1308072009.db2.gz GIMQAKFKGGSTRW-FQEVSTJZSA-N 2 2 344.503 2.931 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981795 1308072015 /nfs/dbraw/zinc/07/20/15/1308072015.db2.gz GIMQAKFKGGSTRW-FQEVSTJZSA-N 2 2 344.503 2.931 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009606713 1308583839 /nfs/dbraw/zinc/58/38/39/1308583839.db2.gz ANZULFNDDFHKJY-QGZVFWFLSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009606713 1308583840 /nfs/dbraw/zinc/58/38/40/1308583840.db2.gz ANZULFNDDFHKJY-QGZVFWFLSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001210117247 1314284096 /nfs/dbraw/zinc/28/40/96/1314284096.db2.gz UKUQJDXADUIAJD-QGZVFWFLSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001047247228 1310409267 /nfs/dbraw/zinc/40/92/67/1310409267.db2.gz HMPIJWQUUIQIHH-IBGZPJMESA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047259236 1310439101 /nfs/dbraw/zinc/43/91/01/1310439101.db2.gz MUELMFOSFAHWIZ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159563 1311071768 /nfs/dbraw/zinc/07/17/68/1311071768.db2.gz RPORQBQBFMIUME-QGZVFWFLSA-N 2 2 332.492 2.846 20 30 EFEDLP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159563 1311071770 /nfs/dbraw/zinc/07/17/70/1311071770.db2.gz RPORQBQBFMIUME-QGZVFWFLSA-N 2 2 332.492 2.846 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089906 1311082718 /nfs/dbraw/zinc/08/27/18/1311082718.db2.gz ZLVHKPLVMUQFJC-IAGOWNOFSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089906 1311082719 /nfs/dbraw/zinc/08/27/19/1311082719.db2.gz ZLVHKPLVMUQFJC-IAGOWNOFSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(C)CC[NH+]1CCC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001223259058 1311233816 /nfs/dbraw/zinc/23/38/16/1311233816.db2.gz MGQHBHPWCXAMES-UHFFFAOYSA-N 2 2 344.503 2.556 20 30 EFEDLP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001101590562 1311252358 /nfs/dbraw/zinc/25/23/58/1311252358.db2.gz ZFZZEJLPWBHQDT-UHFFFAOYSA-N 2 2 344.503 2.565 20 30 EFEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101591933 1311252906 /nfs/dbraw/zinc/25/29/06/1311252906.db2.gz DCBZCDMLYOQZHD-UHFFFAOYSA-N 2 2 332.492 2.691 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001223661181 1311288364 /nfs/dbraw/zinc/28/83/64/1311288364.db2.gz MEWHNVROAFHSBR-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001223668873 1311289311 /nfs/dbraw/zinc/28/93/11/1311289311.db2.gz NEGJNZABJWTLTA-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C#CCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001276972725 1311392397 /nfs/dbraw/zinc/39/23/97/1311392397.db2.gz CXIPYWFMKYWLNQ-OXQOHEQNSA-N 2 2 334.423 2.546 20 30 EFEDLP C#CCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001276972725 1311392401 /nfs/dbraw/zinc/39/24/01/1311392401.db2.gz CXIPYWFMKYWLNQ-OXQOHEQNSA-N 2 2 334.423 2.546 20 30 EFEDLP C#CCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001276974137 1311395375 /nfs/dbraw/zinc/39/53/75/1311395375.db2.gz YKSWCCCCVPSOME-OXJNMPFZSA-N 2 2 334.423 2.689 20 30 EFEDLP C#CCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001276974137 1311395379 /nfs/dbraw/zinc/39/53/79/1311395379.db2.gz YKSWCCCCVPSOME-OXJNMPFZSA-N 2 2 334.423 2.689 20 30 EFEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203193389 1311498149 /nfs/dbraw/zinc/49/81/49/1311498149.db2.gz VJSGBUUNFWVYNN-IRXDYDNUSA-N 2 2 325.456 2.661 20 30 EFEDLP C[NH+](C)Cc1ncccc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001225279575 1311499982 /nfs/dbraw/zinc/49/99/82/1311499982.db2.gz YOHOSEQUGCSOOF-SFHVURJKSA-N 2 2 336.439 2.668 20 30 EFEDLP C[NH+](C)Cc1ncccc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001225279575 1311499984 /nfs/dbraw/zinc/49/99/84/1311499984.db2.gz YOHOSEQUGCSOOF-SFHVURJKSA-N 2 2 336.439 2.668 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431145 1311708495 /nfs/dbraw/zinc/70/84/95/1311708495.db2.gz NBPGHWISYPSPDA-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431145 1311708497 /nfs/dbraw/zinc/70/84/97/1311708497.db2.gz NBPGHWISYPSPDA-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431145 1311708500 /nfs/dbraw/zinc/70/85/00/1311708500.db2.gz NBPGHWISYPSPDA-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431145 1311708502 /nfs/dbraw/zinc/70/85/02/1311708502.db2.gz NBPGHWISYPSPDA-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525028 1311728701 /nfs/dbraw/zinc/72/87/01/1311728701.db2.gz XXXWWPDLOMQHFV-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525028 1311728703 /nfs/dbraw/zinc/72/87/03/1311728703.db2.gz XXXWWPDLOMQHFV-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529715 1311729722 /nfs/dbraw/zinc/72/97/22/1311729722.db2.gz NFYBIAUGZIJZQF-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529715 1311729725 /nfs/dbraw/zinc/72/97/25/1311729725.db2.gz NFYBIAUGZIJZQF-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529166 1311729751 /nfs/dbraw/zinc/72/97/51/1311729751.db2.gz DUERRSAHJMBNQU-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529166 1311729754 /nfs/dbraw/zinc/72/97/54/1311729754.db2.gz DUERRSAHJMBNQU-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529833 1311729962 /nfs/dbraw/zinc/72/99/62/1311729962.db2.gz QVZAQBQPRUELRO-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529833 1311729964 /nfs/dbraw/zinc/72/99/64/1311729964.db2.gz QVZAQBQPRUELRO-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529167 1311730001 /nfs/dbraw/zinc/73/00/01/1311730001.db2.gz DUERRSAHJMBNQU-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529167 1311730004 /nfs/dbraw/zinc/73/00/04/1311730004.db2.gz DUERRSAHJMBNQU-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226965212 1311747291 /nfs/dbraw/zinc/74/72/91/1311747291.db2.gz QRLYQVXLOAWXHR-KZNAEPCWSA-N 2 2 330.476 2.511 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227459003 1311808536 /nfs/dbraw/zinc/80/85/36/1311808536.db2.gz LAZQCLXYPLXPSS-HZPDHXFCSA-N 2 2 326.444 2.931 20 30 EFEDLP C[NH+](C)Cc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ccc2ccccc21 ZINC001228442413 1311948916 /nfs/dbraw/zinc/94/89/16/1311948916.db2.gz SVVTXHIIMSXYEB-ORDCAAOXSA-N 2 2 338.451 2.893 20 30 EFEDLP C[NH+](C)Cc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ccc2ccccc21 ZINC001228442413 1311948917 /nfs/dbraw/zinc/94/89/17/1311948917.db2.gz SVVTXHIIMSXYEB-ORDCAAOXSA-N 2 2 338.451 2.893 20 30 EFEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001229465614 1312100874 /nfs/dbraw/zinc/10/08/74/1312100874.db2.gz NCKKJIJETAPQTH-RTBURBONSA-N 2 2 336.439 2.526 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786552 1312107471 /nfs/dbraw/zinc/10/74/71/1312107471.db2.gz PJEQNBMSFURBOJ-RBUKOAKNSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786552 1312107474 /nfs/dbraw/zinc/10/74/74/1312107474.db2.gz PJEQNBMSFURBOJ-RBUKOAKNSA-N 2 2 342.487 2.542 20 30 EFEDLP Cc1nc(O[C@H](C)C[NH+](C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229769542 1312136026 /nfs/dbraw/zinc/13/60/26/1312136026.db2.gz RZWRPAXYDREVSV-CYBMUJFWSA-N 2 2 335.411 2.905 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC001048818456 1312162796 /nfs/dbraw/zinc/16/27/96/1312162796.db2.gz LOZNQRUFXOHHIH-HDICACEKSA-N 2 2 338.455 2.613 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC001048818456 1312162799 /nfs/dbraw/zinc/16/27/99/1312162799.db2.gz LOZNQRUFXOHHIH-HDICACEKSA-N 2 2 338.455 2.613 20 30 EFEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001162860247 1312192280 /nfs/dbraw/zinc/19/22/80/1312192280.db2.gz XGLUGTYHULQSAP-UHFFFAOYSA-N 2 2 348.450 2.795 20 30 EFEDLP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001162946568 1312208617 /nfs/dbraw/zinc/20/86/17/1312208617.db2.gz LYBWXFJLMMPBHS-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001162982842 1312218438 /nfs/dbraw/zinc/21/84/38/1312218438.db2.gz ROWKHJXAFJPORE-UHFFFAOYSA-N 2 2 340.471 2.534 20 30 EFEDLP CC(=NCc1cccc(C[NH3+])c1)Nc1cc(N2CCCC2)[nH+]c(C)n1 ZINC001163465593 1312319362 /nfs/dbraw/zinc/31/93/62/1312319362.db2.gz DFIKFDPJWDAVMN-UHFFFAOYSA-N 2 2 338.459 2.874 20 30 EFEDLP COC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584316 1312584358 /nfs/dbraw/zinc/58/43/58/1312584358.db2.gz FXHBMOFTFJENAA-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP COC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584316 1312584363 /nfs/dbraw/zinc/58/43/63/1312584363.db2.gz FXHBMOFTFJENAA-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584316 1312584366 /nfs/dbraw/zinc/58/43/66/1312584366.db2.gz FXHBMOFTFJENAA-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584316 1312584371 /nfs/dbraw/zinc/58/43/71/1312584371.db2.gz FXHBMOFTFJENAA-FQEVSTJZSA-N 2 2 344.503 2.610 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001211228427 1314459638 /nfs/dbraw/zinc/45/96/38/1314459638.db2.gz BUTATCRIBJQWSC-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001211228427 1314459642 /nfs/dbraw/zinc/45/96/42/1314459642.db2.gz BUTATCRIBJQWSC-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001211228653 1314459711 /nfs/dbraw/zinc/45/97/11/1314459711.db2.gz GLJCHOCERBZDJO-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001211228653 1314459714 /nfs/dbraw/zinc/45/97/14/1314459714.db2.gz GLJCHOCERBZDJO-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OCC=C ZINC001245999984 1314563699 /nfs/dbraw/zinc/56/36/99/1314563699.db2.gz KJWKPHJOCBJGPQ-MSOLQXFVSA-N 2 2 340.508 2.690 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246036273 1314571167 /nfs/dbraw/zinc/57/11/67/1314571167.db2.gz SIXPMNAKDHZWOK-MOPGFXCFSA-N 2 2 328.541 2.924 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246036273 1314571171 /nfs/dbraw/zinc/57/11/71/1314571171.db2.gz SIXPMNAKDHZWOK-MOPGFXCFSA-N 2 2 328.541 2.924 20 30 EFEDLP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246216677 1314598476 /nfs/dbraw/zinc/59/84/76/1314598476.db2.gz NEKNZQGHATYJEO-SCCNAQOGSA-N 2 2 342.483 2.839 20 30 EFEDLP C#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599363 /nfs/dbraw/zinc/59/93/63/1314599363.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599369 /nfs/dbraw/zinc/59/93/69/1314599369.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599372 /nfs/dbraw/zinc/59/93/72/1314599372.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599377 /nfs/dbraw/zinc/59/93/77/1314599377.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 3 2 348.494 2.708 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029579 1314602909 /nfs/dbraw/zinc/60/29/09/1314602909.db2.gz SYUGWWJWKLHAPW-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029579 1314602915 /nfs/dbraw/zinc/60/29/15/1314602915.db2.gz SYUGWWJWKLHAPW-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029579 1314602920 /nfs/dbraw/zinc/60/29/20/1314602920.db2.gz SYUGWWJWKLHAPW-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029579 1314602926 /nfs/dbraw/zinc/60/29/26/1314602926.db2.gz SYUGWWJWKLHAPW-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc(CC)cc1 ZINC001246310491 1314608570 /nfs/dbraw/zinc/60/85/70/1314608570.db2.gz GTWJRFYMQUQMIT-LPHOPBHVSA-N 2 2 332.488 2.996 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046200 1314630061 /nfs/dbraw/zinc/63/00/61/1314630061.db2.gz HXAQDDUDPKOFFA-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046200 1314630066 /nfs/dbraw/zinc/63/00/66/1314630066.db2.gz HXAQDDUDPKOFFA-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050497 1314637660 /nfs/dbraw/zinc/63/76/60/1314637660.db2.gz JWLWKYUFFRCHFZ-QZTJIDSGSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050497 1314637664 /nfs/dbraw/zinc/63/76/64/1314637664.db2.gz JWLWKYUFFRCHFZ-QZTJIDSGSA-N 2 2 344.503 2.787 20 30 EFEDLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246528270 1314642081 /nfs/dbraw/zinc/64/20/81/1314642081.db2.gz GQVKKAMMHGIQHY-MJGOQNOKSA-N 2 2 326.488 2.847 20 30 EFEDLP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)C1 ZINC001246525807 1314642171 /nfs/dbraw/zinc/64/21/71/1314642171.db2.gz LHYKJZPJIKCCDG-DLBZAZTESA-N 2 2 335.492 2.628 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057373 1314649712 /nfs/dbraw/zinc/64/97/12/1314649712.db2.gz IPZXRSYDMOTQFF-RTBURBONSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057373 1314649714 /nfs/dbraw/zinc/64/97/14/1314649714.db2.gz IPZXRSYDMOTQFF-RTBURBONSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104206 1314724607 /nfs/dbraw/zinc/72/46/07/1314724607.db2.gz CSWXTWWNBBNDNG-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104206 1314724610 /nfs/dbraw/zinc/72/46/10/1314724610.db2.gz CSWXTWWNBBNDNG-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001053106677 1314729909 /nfs/dbraw/zinc/72/99/09/1314729909.db2.gz VPZBYUYFZHJAID-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001053106677 1314729912 /nfs/dbraw/zinc/72/99/12/1314729912.db2.gz VPZBYUYFZHJAID-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112230 1314733756 /nfs/dbraw/zinc/73/37/56/1314733756.db2.gz BOEUQZVHMRXUGK-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112230 1314733761 /nfs/dbraw/zinc/73/37/61/1314733761.db2.gz BOEUQZVHMRXUGK-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988111 1314765547 /nfs/dbraw/zinc/76/55/47/1314765547.db2.gz JTMWHJCPUAOADK-ZIFCJYIRSA-N 2 2 344.503 2.628 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008300 1314768708 /nfs/dbraw/zinc/76/87/08/1314768708.db2.gz JKZINODPQGUOLP-KZNAEPCWSA-N 2 2 346.519 2.852 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008268 1314768723 /nfs/dbraw/zinc/76/87/23/1314768723.db2.gz IHIRWRRCLKGUEJ-ZHALLVOQSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[C@H]([NH3+])c1nc(-c2cccc(C(=O)Cn3cc[nH+]c3C)c2)no1 ZINC001247963038 1314875330 /nfs/dbraw/zinc/87/53/30/1314875330.db2.gz KVQHBBLRLADXJN-HNNXBMFYSA-N 2 2 337.383 2.700 20 30 EFEDLP CCCCCCCOc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1 ZINC001249128487 1315022880 /nfs/dbraw/zinc/02/28/80/1315022880.db2.gz DIVWBASEIMLVDH-OAHLLOKOSA-N 2 2 332.448 2.914 20 30 EFEDLP Cc1nc(O[C@@H]2CCC[NH2+]C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001218284389 1315174574 /nfs/dbraw/zinc/17/45/74/1315174574.db2.gz WCUNYXLVXKADAY-MRXNPFEDSA-N 2 2 333.395 2.707 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001054045233 1315216444 /nfs/dbraw/zinc/21/64/44/1315216444.db2.gz NNEKVOUUWVVXIM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001054045233 1315216446 /nfs/dbraw/zinc/21/64/46/1315216446.db2.gz NNEKVOUUWVVXIM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045233 1315216449 /nfs/dbraw/zinc/21/64/49/1315216449.db2.gz NNEKVOUUWVVXIM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001054045233 1315216452 /nfs/dbraw/zinc/21/64/52/1315216452.db2.gz NNEKVOUUWVVXIM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001054046706 1315218267 /nfs/dbraw/zinc/21/82/67/1315218267.db2.gz PSWGQBXTMHZJJV-HXUWFJFHSA-N 2 2 346.434 2.677 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001054046706 1315218269 /nfs/dbraw/zinc/21/82/69/1315218269.db2.gz PSWGQBXTMHZJJV-HXUWFJFHSA-N 2 2 346.434 2.677 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123732 1315332732 /nfs/dbraw/zinc/33/27/32/1315332732.db2.gz BRBQWNXPZYVEAN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054123732 1315332735 /nfs/dbraw/zinc/33/27/35/1315332735.db2.gz BRBQWNXPZYVEAN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204824 1315452297 /nfs/dbraw/zinc/45/22/97/1315452297.db2.gz FAMDQOUUFBCUGD-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204824 1315452301 /nfs/dbraw/zinc/45/23/01/1315452301.db2.gz FAMDQOUUFBCUGD-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001252464883 1315452496 /nfs/dbraw/zinc/45/24/96/1315452496.db2.gz BEKLBGMHUNELFZ-FQEVSTJZSA-N 2 2 332.488 2.536 20 30 EFEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001252464883 1315452500 /nfs/dbraw/zinc/45/25/00/1315452500.db2.gz BEKLBGMHUNELFZ-FQEVSTJZSA-N 2 2 332.488 2.536 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001039119675 1315497163 /nfs/dbraw/zinc/49/71/63/1315497163.db2.gz CQAGCDFYAXHUGG-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001039119675 1315497169 /nfs/dbraw/zinc/49/71/69/1315497169.db2.gz CQAGCDFYAXHUGG-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039132926 1315516194 /nfs/dbraw/zinc/51/61/94/1315516194.db2.gz DBDLTQGCOHWOOI-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039132926 1315516195 /nfs/dbraw/zinc/51/61/95/1315516195.db2.gz DBDLTQGCOHWOOI-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039132926 1315516198 /nfs/dbraw/zinc/51/61/98/1315516198.db2.gz DBDLTQGCOHWOOI-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039132926 1315516200 /nfs/dbraw/zinc/51/62/00/1315516200.db2.gz DBDLTQGCOHWOOI-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039134365 1315518077 /nfs/dbraw/zinc/51/80/77/1315518077.db2.gz PUYFBNJNPXBIMJ-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039134365 1315518082 /nfs/dbraw/zinc/51/80/82/1315518082.db2.gz PUYFBNJNPXBIMJ-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039134365 1315518087 /nfs/dbraw/zinc/51/80/87/1315518087.db2.gz PUYFBNJNPXBIMJ-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039134365 1315518092 /nfs/dbraw/zinc/51/80/92/1315518092.db2.gz PUYFBNJNPXBIMJ-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP CCCCCCCCCC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252984794 1315546130 /nfs/dbraw/zinc/54/61/30/1315546130.db2.gz ACVNIUNMORSMIL-KRWDZBQOSA-N 2 2 326.529 2.650 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161046 1315557218 /nfs/dbraw/zinc/55/72/18/1315557218.db2.gz GSPOCNAHLKUMHA-SJLPKXTDSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161046 1315557223 /nfs/dbraw/zinc/55/72/23/1315557223.db2.gz GSPOCNAHLKUMHA-SJLPKXTDSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221628245 1315565996 /nfs/dbraw/zinc/56/59/96/1315565996.db2.gz QDTQHXAZQRRXHZ-YWTNHNAXSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221628245 1315565999 /nfs/dbraw/zinc/56/59/99/1315565999.db2.gz QDTQHXAZQRRXHZ-YWTNHNAXSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221628245 1315566001 /nfs/dbraw/zinc/56/60/01/1315566001.db2.gz QDTQHXAZQRRXHZ-YWTNHNAXSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221628245 1315566005 /nfs/dbraw/zinc/56/60/05/1315566005.db2.gz QDTQHXAZQRRXHZ-YWTNHNAXSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224606 1315644678 /nfs/dbraw/zinc/64/46/78/1315644678.db2.gz HBXLNPCFLPGJOM-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224606 1315644680 /nfs/dbraw/zinc/64/46/80/1315644680.db2.gz HBXLNPCFLPGJOM-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253590 1315685492 /nfs/dbraw/zinc/68/54/92/1315685492.db2.gz KWKFZMRQAAOXKQ-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253590 1315685496 /nfs/dbraw/zinc/68/54/96/1315685496.db2.gz KWKFZMRQAAOXKQ-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039297349 1315706931 /nfs/dbraw/zinc/70/69/31/1315706931.db2.gz XAYLXXJKWQPEPX-PYWTVGQWSA-N 2 2 342.487 2.601 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001039299542 1315707883 /nfs/dbraw/zinc/70/78/83/1315707883.db2.gz QPBFMFGGRYQLOB-HMQMGEFJSA-N 2 2 342.487 2.907 20 30 EFEDLP N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863457 1315751726 /nfs/dbraw/zinc/75/17/26/1315751726.db2.gz FDFGZMTZRCRCRS-AZUAARDMSA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863457 1315751730 /nfs/dbraw/zinc/75/17/30/1315751730.db2.gz FDFGZMTZRCRCRS-AZUAARDMSA-N 2 2 325.456 2.886 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NO ZINC001255136745 1315780871 /nfs/dbraw/zinc/78/08/71/1315780871.db2.gz RXHWSHWEYFLBHG-RDGPPVDQSA-N 2 2 345.487 2.692 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NO ZINC001255136745 1315780876 /nfs/dbraw/zinc/78/08/76/1315780876.db2.gz RXHWSHWEYFLBHG-RDGPPVDQSA-N 2 2 345.487 2.692 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474821 1315818067 /nfs/dbraw/zinc/81/80/67/1315818067.db2.gz DSQYGRRICRAQKM-CEXWTWQISA-N 2 2 327.472 2.541 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474821 1315818069 /nfs/dbraw/zinc/81/80/69/1315818069.db2.gz DSQYGRRICRAQKM-CEXWTWQISA-N 2 2 327.472 2.541 20 30 EFEDLP COc1cc(C#N)ccc1OC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256209459 1315918097 /nfs/dbraw/zinc/91/80/97/1315918097.db2.gz WKVARXIRGGSYRM-UHFFFAOYSA-N 2 2 329.444 2.504 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528573 1315952267 /nfs/dbraw/zinc/95/22/67/1315952267.db2.gz HNVZRTGYKZZSQH-RLLQIKCJSA-N 2 2 341.499 2.806 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528573 1315952269 /nfs/dbraw/zinc/95/22/69/1315952269.db2.gz HNVZRTGYKZZSQH-RLLQIKCJSA-N 2 2 341.499 2.806 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256539845 1315954826 /nfs/dbraw/zinc/95/48/26/1315954826.db2.gz YKGCOASBIGEQKM-LAQRGFTBSA-N 2 2 333.476 2.549 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256539845 1315954828 /nfs/dbraw/zinc/95/48/28/1315954828.db2.gz YKGCOASBIGEQKM-LAQRGFTBSA-N 2 2 333.476 2.549 20 30 EFEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1=O ZINC001256572221 1315961444 /nfs/dbraw/zinc/96/14/44/1315961444.db2.gz DNNBRKWXAZCJRN-FQEVSTJZSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1=O ZINC001256572221 1315961449 /nfs/dbraw/zinc/96/14/49/1315961449.db2.gz DNNBRKWXAZCJRN-FQEVSTJZSA-N 2 2 333.520 2.750 20 30 EFEDLP C=C1C[C@@H]2CC([NH2+][C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3[NH3+])C[C@H](C1)C2 ZINC001257888486 1316100354 /nfs/dbraw/zinc/10/03/54/1316100354.db2.gz PGXLYKRDQKZGLT-BFZKSOEOSA-N 2 2 335.492 2.658 20 30 EFEDLP CCOC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001258476915 1316153620 /nfs/dbraw/zinc/15/36/20/1316153620.db2.gz XLZUTFFKZUHQSD-MRXNPFEDSA-N 2 2 343.471 2.844 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CC[NH+](CCC)CC1)CCO2 ZINC001258774459 1316177624 /nfs/dbraw/zinc/17/76/24/1316177624.db2.gz OPVUWXPAQGQDJE-UYAOXDASSA-N 2 2 336.520 2.935 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](CCC)CC1)CCO2 ZINC001258774459 1316177627 /nfs/dbraw/zinc/17/76/27/1316177627.db2.gz OPVUWXPAQGQDJE-UYAOXDASSA-N 2 2 336.520 2.935 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319797 1316200596 /nfs/dbraw/zinc/20/05/96/1316200596.db2.gz KOJWAPJXLYSLBV-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319797 1316200598 /nfs/dbraw/zinc/20/05/98/1316200598.db2.gz KOJWAPJXLYSLBV-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389167 1316237019 /nfs/dbraw/zinc/23/70/19/1316237019.db2.gz SMPACEYOXMRSDH-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389167 1316237020 /nfs/dbraw/zinc/23/70/20/1316237020.db2.gz SMPACEYOXMRSDH-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443868 1316269424 /nfs/dbraw/zinc/26/94/24/1316269424.db2.gz NFGLHTZIEBHWGF-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443868 1316269427 /nfs/dbraw/zinc/26/94/27/1316269427.db2.gz NFGLHTZIEBHWGF-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443868 1316269431 /nfs/dbraw/zinc/26/94/31/1316269431.db2.gz NFGLHTZIEBHWGF-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443868 1316269434 /nfs/dbraw/zinc/26/94/34/1316269434.db2.gz NFGLHTZIEBHWGF-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC001040741775 1316364314 /nfs/dbraw/zinc/36/43/14/1316364314.db2.gz ZDYPDPGKSALXJX-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041288518 1316504118 /nfs/dbraw/zinc/50/41/18/1316504118.db2.gz XMDJZWKXDUNRMS-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001041288518 1316504121 /nfs/dbraw/zinc/50/41/21/1316504121.db2.gz XMDJZWKXDUNRMS-FQEVSTJZSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001263341429 1316534169 /nfs/dbraw/zinc/53/41/69/1316534169.db2.gz NRGQEJCNEQXIAP-IAGOWNOFSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001263341429 1316534172 /nfs/dbraw/zinc/53/41/72/1316534172.db2.gz NRGQEJCNEQXIAP-IAGOWNOFSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001263341429 1316534175 /nfs/dbraw/zinc/53/41/75/1316534175.db2.gz NRGQEJCNEQXIAP-IAGOWNOFSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001263341429 1316534177 /nfs/dbraw/zinc/53/41/77/1316534177.db2.gz NRGQEJCNEQXIAP-IAGOWNOFSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042063343 1316853289 /nfs/dbraw/zinc/85/32/89/1316853289.db2.gz VCWCFSQCQZAGSG-WMZOPIPTSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042063343 1316853290 /nfs/dbraw/zinc/85/32/90/1316853290.db2.gz VCWCFSQCQZAGSG-WMZOPIPTSA-N 2 2 338.455 2.755 20 30 EFEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)n(C)n1 ZINC001279145788 1317198026 /nfs/dbraw/zinc/19/80/26/1317198026.db2.gz TVZQPCRIOGDLEF-IHWFROFDSA-N 2 2 349.482 2.885 20 30 EFEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)n(C)n1 ZINC001279145788 1317198033 /nfs/dbraw/zinc/19/80/33/1317198033.db2.gz TVZQPCRIOGDLEF-IHWFROFDSA-N 2 2 349.482 2.885 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)cc1 ZINC001279145099 1317198325 /nfs/dbraw/zinc/19/83/25/1317198325.db2.gz HOKRMMVEFHNYEO-RTWAWAEBSA-N 3 2 349.482 2.980 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198381 /nfs/dbraw/zinc/19/83/81/1317198381.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198386 /nfs/dbraw/zinc/19/83/86/1317198386.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198389 /nfs/dbraw/zinc/19/83/89/1317198389.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198394 /nfs/dbraw/zinc/19/83/94/1317198394.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1ccc(C(=O)C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001280235148 1317484054 /nfs/dbraw/zinc/48/40/54/1317484054.db2.gz KOZOCSYVBDDBDV-UHFFFAOYSA-N 2 2 348.450 2.667 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001338894988 1331754241 /nfs/dbraw/zinc/75/42/41/1331754241.db2.gz CWKOTJWUFOZVMF-IAGOWNOFSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001338894988 1331754242 /nfs/dbraw/zinc/75/42/42/1331754242.db2.gz CWKOTJWUFOZVMF-IAGOWNOFSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001341605417 1332270402 /nfs/dbraw/zinc/27/04/02/1332270402.db2.gz OBNRQSAKFQUTGS-APWZRJJASA-N 2 2 345.487 2.584 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001343927008 1332391645 /nfs/dbraw/zinc/39/16/45/1332391645.db2.gz FTCVJYADDQHILN-MRXNPFEDSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001343927008 1332391648 /nfs/dbraw/zinc/39/16/48/1332391648.db2.gz FTCVJYADDQHILN-MRXNPFEDSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001343927008 1332391652 /nfs/dbraw/zinc/39/16/52/1332391652.db2.gz FTCVJYADDQHILN-MRXNPFEDSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001343927008 1332391654 /nfs/dbraw/zinc/39/16/54/1332391654.db2.gz FTCVJYADDQHILN-MRXNPFEDSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346187591 1332609019 /nfs/dbraw/zinc/60/90/19/1332609019.db2.gz ANNSVOCKWQDFTC-KRWDZBQOSA-N 2 2 346.523 2.588 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346187591 1332609024 /nfs/dbraw/zinc/60/90/24/1332609024.db2.gz ANNSVOCKWQDFTC-KRWDZBQOSA-N 2 2 346.523 2.588 20 30 EFEDLP C=CCC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001001693629 1333382631 /nfs/dbraw/zinc/38/26/31/1333382631.db2.gz YYNIZEXDEUZHMP-UHFFFAOYSA-N 2 2 338.455 2.890 20 30 EFEDLP C=CCCC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571434 1334125846 /nfs/dbraw/zinc/12/58/46/1334125846.db2.gz WDDSRZXTCQDQEJ-UHFFFAOYSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528548 1334217596 /nfs/dbraw/zinc/21/75/96/1334217596.db2.gz HFKJWCJNBMTJHS-UHFFFAOYSA-N 2 2 332.492 2.584 20 30 EFEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929834 1334993330 /nfs/dbraw/zinc/99/33/30/1334993330.db2.gz JUIKMSNNOVZZPC-FQEVSTJZSA-N 2 2 342.483 2.775 20 30 EFEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929834 1334993332 /nfs/dbraw/zinc/99/33/32/1334993332.db2.gz JUIKMSNNOVZZPC-FQEVSTJZSA-N 2 2 342.483 2.775 20 30 EFEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000849109803 1335553614 /nfs/dbraw/zinc/55/36/14/1335553614.db2.gz IDWNEYWJQOUTQB-KRWDZBQOSA-N 2 2 346.500 2.969 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971169 1340316304 /nfs/dbraw/zinc/31/63/04/1340316304.db2.gz PZSVMFKUTNDPSK-CVEARBPZSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971169 1340316314 /nfs/dbraw/zinc/31/63/14/1340316314.db2.gz PZSVMFKUTNDPSK-CVEARBPZSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001373907842 1341198779 /nfs/dbraw/zinc/19/87/79/1341198779.db2.gz YGDRHMNHDIKGHR-CXAGYDPISA-N 2 2 338.883 2.750 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001374391770 1341845855 /nfs/dbraw/zinc/84/58/55/1341845855.db2.gz ALVCVSORJWYFGF-GDBMZVCRSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001377623327 1344234164 /nfs/dbraw/zinc/23/41/64/1344234164.db2.gz QYEIVQGFLCVYJP-INIZCTEOSA-N 2 2 335.879 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001377664413 1344289614 /nfs/dbraw/zinc/28/96/14/1344289614.db2.gz RRRTVHUELCPXSJ-KRWDZBQOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001377664413 1344289617 /nfs/dbraw/zinc/28/96/17/1344289617.db2.gz RRRTVHUELCPXSJ-KRWDZBQOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001390152025 1353865342 /nfs/dbraw/zinc/86/53/42/1353865342.db2.gz ZOMULKNXRCRACZ-AWEZNQCLSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001393495997 1356897384 /nfs/dbraw/zinc/89/73/84/1356897384.db2.gz QHCPPIBBJABBON-CQSZACIVSA-N 2 2 346.862 2.682 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC001394833614 1358134216 /nfs/dbraw/zinc/13/42/16/1358134216.db2.gz XXFICSSRUJDJTN-AWEZNQCLSA-N 2 2 326.872 2.536 20 30 EFEDLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC001401724479 1363056198 /nfs/dbraw/zinc/05/61/98/1363056198.db2.gz NREGMYCSWZLOKV-HNNXBMFYSA-N 2 2 336.439 2.787 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001407008099 1368316456 /nfs/dbraw/zinc/31/64/56/1368316456.db2.gz XQGOUBQJWKGKHN-CVEARBPZSA-N 2 2 341.927 2.782 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001407008099 1368316441 /nfs/dbraw/zinc/31/64/41/1368316441.db2.gz XQGOUBQJWKGKHN-CVEARBPZSA-N 2 2 341.927 2.782 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001407008099 1368316447 /nfs/dbraw/zinc/31/64/47/1368316447.db2.gz XQGOUBQJWKGKHN-CVEARBPZSA-N 2 2 341.927 2.782 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001407008099 1368316452 /nfs/dbraw/zinc/31/64/52/1368316452.db2.gz XQGOUBQJWKGKHN-CVEARBPZSA-N 2 2 341.927 2.782 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001418860188 1374586591 /nfs/dbraw/zinc/58/65/91/1374586591.db2.gz SLDVOGJPTYWBMW-GOSISDBHSA-N 2 2 349.906 2.918 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001419637526 1375608397 /nfs/dbraw/zinc/60/83/97/1375608397.db2.gz OAYCAFYAARXKCY-INIZCTEOSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001419637527 1375610142 /nfs/dbraw/zinc/61/01/42/1375610142.db2.gz OAYCAFYAARXKCY-MRXNPFEDSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001421223049 1378304869 /nfs/dbraw/zinc/30/48/69/1378304869.db2.gz WPJMYKZSSPFPJN-KRWDZBQOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001421223049 1378304875 /nfs/dbraw/zinc/30/48/75/1378304875.db2.gz WPJMYKZSSPFPJN-KRWDZBQOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001421348193 1378525564 /nfs/dbraw/zinc/52/55/64/1378525564.db2.gz DGESJXBIERYKDS-INIZCTEOSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001421348193 1378525566 /nfs/dbraw/zinc/52/55/66/1378525566.db2.gz DGESJXBIERYKDS-INIZCTEOSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001496512750 1400788784 /nfs/dbraw/zinc/78/87/84/1400788784.db2.gz PYCQBFPHCJVWLU-UHFFFAOYSA-N 2 2 338.883 2.574 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001496512750 1400788786 /nfs/dbraw/zinc/78/87/86/1400788786.db2.gz PYCQBFPHCJVWLU-UHFFFAOYSA-N 2 2 338.883 2.574 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001505469426 1404702253 /nfs/dbraw/zinc/70/22/53/1404702253.db2.gz PLDQZSBFZBWVEY-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001505469426 1404702258 /nfs/dbraw/zinc/70/22/58/1404702258.db2.gz PLDQZSBFZBWVEY-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001505469426 1404702262 /nfs/dbraw/zinc/70/22/62/1404702262.db2.gz PLDQZSBFZBWVEY-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001505469426 1404702265 /nfs/dbraw/zinc/70/22/65/1404702265.db2.gz PLDQZSBFZBWVEY-GOSISDBHSA-N 2 2 349.906 2.794 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001713265294 1418432715 /nfs/dbraw/zinc/43/27/15/1418432715.db2.gz ZXDURZGJPXJGQC-SJORKVTESA-N 2 2 332.492 2.678 20 30 EFEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000069674364 713104282 /nfs/dbraw/zinc/10/42/82/713104282.db2.gz XWGNKRCDTQNBDF-UHFFFAOYSA-N 2 2 334.467 2.860 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000970221912 713574195 /nfs/dbraw/zinc/57/41/95/713574195.db2.gz BCYPHMKKSNORKW-MRXNPFEDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587427 714135337 /nfs/dbraw/zinc/13/53/37/714135337.db2.gz KUSCDZWANQFFPR-MSOLQXFVSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587427 714135339 /nfs/dbraw/zinc/13/53/39/714135339.db2.gz KUSCDZWANQFFPR-MSOLQXFVSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611143 714174954 /nfs/dbraw/zinc/17/49/54/714174954.db2.gz NKFWSTZTIRTNOL-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611143 714174955 /nfs/dbraw/zinc/17/49/55/714174955.db2.gz NKFWSTZTIRTNOL-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638373 714220715 /nfs/dbraw/zinc/22/07/15/714220715.db2.gz INFNBQHXEXJADO-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638373 714220718 /nfs/dbraw/zinc/22/07/18/714220718.db2.gz INFNBQHXEXJADO-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947436338 714419161 /nfs/dbraw/zinc/41/91/61/714419161.db2.gz HPSXHZSARFCQNT-DOTOQJQBSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947436338 714419163 /nfs/dbraw/zinc/41/91/63/714419163.db2.gz HPSXHZSARFCQNT-DOTOQJQBSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442743 714510084 /nfs/dbraw/zinc/51/00/84/714510084.db2.gz YXFKSPUGHGTARR-IRXDYDNUSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442743 714510086 /nfs/dbraw/zinc/51/00/86/714510086.db2.gz YXFKSPUGHGTARR-IRXDYDNUSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971832539 715064253 /nfs/dbraw/zinc/06/42/53/715064253.db2.gz JVRYMBSAFJRJMV-HNNXBMFYSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971832539 715064255 /nfs/dbraw/zinc/06/42/55/715064255.db2.gz JVRYMBSAFJRJMV-HNNXBMFYSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024615447 718027864 /nfs/dbraw/zinc/02/78/64/718027864.db2.gz SQCDFKGZVQLPJW-DLBZAZTESA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615447 718027869 /nfs/dbraw/zinc/02/78/69/718027869.db2.gz SQCDFKGZVQLPJW-DLBZAZTESA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615447 718027875 /nfs/dbraw/zinc/02/78/75/718027875.db2.gz SQCDFKGZVQLPJW-DLBZAZTESA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615447 718027880 /nfs/dbraw/zinc/02/78/80/718027880.db2.gz SQCDFKGZVQLPJW-DLBZAZTESA-N 2 2 341.927 2.832 20 30 EFEDLP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000104173533 715254498 /nfs/dbraw/zinc/25/44/98/715254498.db2.gz CGDKKTPEVIXDQO-HNNXBMFYSA-N 2 2 342.512 2.642 20 30 EFEDLP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000104173533 715254499 /nfs/dbraw/zinc/25/44/99/715254499.db2.gz CGDKKTPEVIXDQO-HNNXBMFYSA-N 2 2 342.512 2.642 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112265 715528184 /nfs/dbraw/zinc/52/81/84/715528184.db2.gz RNBDMCSYLBGWAB-JKSUJKDBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112265 715528188 /nfs/dbraw/zinc/52/81/88/715528188.db2.gz RNBDMCSYLBGWAB-JKSUJKDBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027638167 716274524 /nfs/dbraw/zinc/27/45/24/716274524.db2.gz UVLUESZSPOFYRK-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027638167 716274526 /nfs/dbraw/zinc/27/45/26/716274526.db2.gz UVLUESZSPOFYRK-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452286 716485870 /nfs/dbraw/zinc/48/58/70/716485870.db2.gz WYNHUWZYVDGDFW-SJORKVTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452286 716485871 /nfs/dbraw/zinc/48/58/71/716485871.db2.gz WYNHUWZYVDGDFW-SJORKVTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452286 716485872 /nfs/dbraw/zinc/48/58/72/716485872.db2.gz WYNHUWZYVDGDFW-SJORKVTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452286 716485873 /nfs/dbraw/zinc/48/58/73/716485873.db2.gz WYNHUWZYVDGDFW-SJORKVTESA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586128 716662560 /nfs/dbraw/zinc/66/25/60/716662560.db2.gz UVGVJYMTAZGJMF-JKSUJKDBSA-N 2 2 330.476 2.624 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586128 716662565 /nfs/dbraw/zinc/66/25/65/716662565.db2.gz UVGVJYMTAZGJMF-JKSUJKDBSA-N 2 2 330.476 2.624 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483414 717341294 /nfs/dbraw/zinc/34/12/94/717341294.db2.gz PAJSUADDNIDPLV-INIZCTEOSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483414 717341295 /nfs/dbraw/zinc/34/12/95/717341295.db2.gz PAJSUADDNIDPLV-INIZCTEOSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490810 717343336 /nfs/dbraw/zinc/34/33/36/717343336.db2.gz MOKZYEUDJVDYJY-IAGOWNOFSA-N 2 2 335.879 2.575 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490810 717343338 /nfs/dbraw/zinc/34/33/38/717343338.db2.gz MOKZYEUDJVDYJY-IAGOWNOFSA-N 2 2 335.879 2.575 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468714 717774707 /nfs/dbraw/zinc/77/47/07/717774707.db2.gz MNQJFERYJDHVCX-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468714 717774710 /nfs/dbraw/zinc/77/47/10/717774710.db2.gz MNQJFERYJDHVCX-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468714 717774713 /nfs/dbraw/zinc/77/47/13/717774713.db2.gz MNQJFERYJDHVCX-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468714 717774716 /nfs/dbraw/zinc/77/47/16/717774716.db2.gz MNQJFERYJDHVCX-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980140160 717783981 /nfs/dbraw/zinc/78/39/81/717783981.db2.gz IEYUVUXGIQLUSG-YESZJQIVSA-N 2 2 338.455 2.741 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980140160 717783986 /nfs/dbraw/zinc/78/39/86/717783986.db2.gz IEYUVUXGIQLUSG-YESZJQIVSA-N 2 2 338.455 2.741 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980140158 717784105 /nfs/dbraw/zinc/78/41/05/717784105.db2.gz IEYUVUXGIQLUSG-ULQDDVLXSA-N 2 2 338.455 2.741 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980140158 717784108 /nfs/dbraw/zinc/78/41/08/717784108.db2.gz IEYUVUXGIQLUSG-ULQDDVLXSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980141995 717788070 /nfs/dbraw/zinc/78/80/70/717788070.db2.gz LRUQKKNSZZOACW-GVDBMIGSSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980141995 717788075 /nfs/dbraw/zinc/78/80/75/717788075.db2.gz LRUQKKNSZZOACW-GVDBMIGSSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476951 717789786 /nfs/dbraw/zinc/78/97/86/717789786.db2.gz HNULRANEVBOLEF-IAGOWNOFSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024476951 717789790 /nfs/dbraw/zinc/78/97/90/717789790.db2.gz HNULRANEVBOLEF-IAGOWNOFSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476951 717789792 /nfs/dbraw/zinc/78/97/92/717789792.db2.gz HNULRANEVBOLEF-IAGOWNOFSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476951 717789797 /nfs/dbraw/zinc/78/97/97/717789797.db2.gz HNULRANEVBOLEF-IAGOWNOFSA-N 2 2 341.927 2.688 20 30 EFEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980157905 717841303 /nfs/dbraw/zinc/84/13/03/717841303.db2.gz BRKBJHLYZCQEBI-OTWHNJEPSA-N 2 2 339.483 2.860 20 30 EFEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980157905 717841305 /nfs/dbraw/zinc/84/13/05/717841305.db2.gz BRKBJHLYZCQEBI-OTWHNJEPSA-N 2 2 339.483 2.860 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226500 718439945 /nfs/dbraw/zinc/43/99/45/718439945.db2.gz KDGIZPYICLCFQK-DLBZAZTESA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226500 718439948 /nfs/dbraw/zinc/43/99/48/718439948.db2.gz KDGIZPYICLCFQK-DLBZAZTESA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254397 718480932 /nfs/dbraw/zinc/48/09/32/718480932.db2.gz ISCROOLPYOYMLB-ZWKOTPCHSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254397 718480933 /nfs/dbraw/zinc/48/09/33/718480933.db2.gz ISCROOLPYOYMLB-ZWKOTPCHSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254394 718480998 /nfs/dbraw/zinc/48/09/98/718480998.db2.gz ISCROOLPYOYMLB-MSOLQXFVSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254394 718481002 /nfs/dbraw/zinc/48/10/02/718481002.db2.gz ISCROOLPYOYMLB-MSOLQXFVSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222753 718526782 /nfs/dbraw/zinc/52/67/82/718526782.db2.gz GFPRYHZYHKSTFA-ZIAGYGMSSA-N 2 2 332.835 2.717 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296839 718543880 /nfs/dbraw/zinc/54/38/80/718543880.db2.gz LQEBRIJIRUQEJB-RTBURBONSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296839 718543884 /nfs/dbraw/zinc/54/38/84/718543884.db2.gz LQEBRIJIRUQEJB-RTBURBONSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300249 718546418 /nfs/dbraw/zinc/54/64/18/718546418.db2.gz ALYUXTTZRYEXIE-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300249 718546419 /nfs/dbraw/zinc/54/64/19/718546419.db2.gz ALYUXTTZRYEXIE-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981384111 718671698 /nfs/dbraw/zinc/67/16/98/718671698.db2.gz HATHXTKIOUVPPX-IRXDYDNUSA-N 2 2 340.471 2.778 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472926 718958698 /nfs/dbraw/zinc/95/86/98/718958698.db2.gz WDNYYFVWTATIBD-GDBMZVCRSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472926 718958700 /nfs/dbraw/zinc/95/87/00/718958700.db2.gz WDNYYFVWTATIBD-GDBMZVCRSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001026559008 720751164 /nfs/dbraw/zinc/75/11/64/720751164.db2.gz VLSLWKAGSHOOPL-RUXDESIVSA-N 2 2 336.867 2.599 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001026609796 720819617 /nfs/dbraw/zinc/81/96/17/720819617.db2.gz VGMBVCIMGSQTPP-UHFFFAOYSA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001026609796 720819626 /nfs/dbraw/zinc/81/96/26/720819626.db2.gz VGMBVCIMGSQTPP-UHFFFAOYSA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643344 724746898 /nfs/dbraw/zinc/74/68/98/724746898.db2.gz QFBJVVZILNXUFW-CQSZACIVSA-N 2 2 336.867 2.505 20 30 EFEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985643344 724746899 /nfs/dbraw/zinc/74/68/99/724746899.db2.gz QFBJVVZILNXUFW-CQSZACIVSA-N 2 2 336.867 2.505 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974827073 721462647 /nfs/dbraw/zinc/46/26/47/721462647.db2.gz JQHNWNDWKOTQHP-OAHLLOKOSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974827073 721462648 /nfs/dbraw/zinc/46/26/48/721462648.db2.gz JQHNWNDWKOTQHP-OAHLLOKOSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC000947800085 723285243 /nfs/dbraw/zinc/28/52/43/723285243.db2.gz FOQNJWMBBOOVLV-IAGOWNOFSA-N 2 2 340.471 2.730 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC000947800085 723285245 /nfs/dbraw/zinc/28/52/45/723285245.db2.gz FOQNJWMBBOOVLV-IAGOWNOFSA-N 2 2 340.471 2.730 20 30 EFEDLP CN(c1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000896505170 723330150 /nfs/dbraw/zinc/33/01/50/723330150.db2.gz ZATQTBIGXFVJOA-KRWDZBQOSA-N 2 2 326.488 2.953 20 30 EFEDLP CN(c1ccccc1C[N@H+]1CCC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000896505170 723330153 /nfs/dbraw/zinc/33/01/53/723330153.db2.gz ZATQTBIGXFVJOA-KRWDZBQOSA-N 2 2 326.488 2.953 20 30 EFEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000895792502 724317286 /nfs/dbraw/zinc/31/72/86/724317286.db2.gz LCZYZWLMTWALMB-RBUKOAKNSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000895792502 724317290 /nfs/dbraw/zinc/31/72/90/724317290.db2.gz LCZYZWLMTWALMB-RBUKOAKNSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000895792502 724317293 /nfs/dbraw/zinc/31/72/93/724317293.db2.gz LCZYZWLMTWALMB-RBUKOAKNSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000895792502 724317300 /nfs/dbraw/zinc/31/73/00/724317300.db2.gz LCZYZWLMTWALMB-RBUKOAKNSA-N 2 2 332.451 2.907 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992164345 725577515 /nfs/dbraw/zinc/57/75/15/725577515.db2.gz CBROUFRXKRRYBO-URLQWDBASA-N 2 2 328.460 2.519 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992164345 725577517 /nfs/dbraw/zinc/57/75/17/725577517.db2.gz CBROUFRXKRRYBO-URLQWDBASA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992168128 725580577 /nfs/dbraw/zinc/58/05/77/725580577.db2.gz MVUMFRMKRXNTJV-XAUMDUMWSA-N 2 2 342.487 2.909 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992168128 725580580 /nfs/dbraw/zinc/58/05/80/725580580.db2.gz MVUMFRMKRXNTJV-XAUMDUMWSA-N 2 2 342.487 2.909 20 30 EFEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992362365 725745853 /nfs/dbraw/zinc/74/58/53/725745853.db2.gz JIZOUYXJMSKLAS-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992362365 725745857 /nfs/dbraw/zinc/74/58/57/725745857.db2.gz JIZOUYXJMSKLAS-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992364301 725747352 /nfs/dbraw/zinc/74/73/52/725747352.db2.gz LZUDCPSWIRUDQW-SJLPKXTDSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992364301 725747355 /nfs/dbraw/zinc/74/73/55/725747355.db2.gz LZUDCPSWIRUDQW-SJLPKXTDSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993402070 727208844 /nfs/dbraw/zinc/20/88/44/727208844.db2.gz YNIRRVYZWFMGIS-GDBMZVCRSA-N 2 2 335.517 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC000993402070 727208846 /nfs/dbraw/zinc/20/88/46/727208846.db2.gz YNIRRVYZWFMGIS-GDBMZVCRSA-N 2 2 335.517 2.969 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993534534 727300330 /nfs/dbraw/zinc/30/03/30/727300330.db2.gz HTDCVBNFOABTCY-BBRMVZONSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993534534 727300333 /nfs/dbraw/zinc/30/03/33/727300333.db2.gz HTDCVBNFOABTCY-BBRMVZONSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991475958 727889090 /nfs/dbraw/zinc/88/90/90/727889090.db2.gz UPDSTVGJZLEOFC-XKGZKEIXSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991475958 727889093 /nfs/dbraw/zinc/88/90/93/727889093.db2.gz UPDSTVGJZLEOFC-XKGZKEIXSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942182989 728347559 /nfs/dbraw/zinc/34/75/59/728347559.db2.gz DMMKOAHJIBJYLF-RISCZKNCSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942182989 728347563 /nfs/dbraw/zinc/34/75/63/728347563.db2.gz DMMKOAHJIBJYLF-RISCZKNCSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942285947 728390238 /nfs/dbraw/zinc/39/02/38/728390238.db2.gz GIHOVRCUJIQKNL-MLGOLLRUSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942285947 728390241 /nfs/dbraw/zinc/39/02/41/728390241.db2.gz GIHOVRCUJIQKNL-MLGOLLRUSA-N 2 2 332.835 2.527 20 30 EFEDLP C=CCNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000171144468 728519426 /nfs/dbraw/zinc/51/94/26/728519426.db2.gz SWTJSXUFEPQVCC-QGZVFWFLSA-N 2 2 340.496 2.938 20 30 EFEDLP C=CCNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000171144468 728519428 /nfs/dbraw/zinc/51/94/28/728519428.db2.gz SWTJSXUFEPQVCC-QGZVFWFLSA-N 2 2 340.496 2.938 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823877986 946499209 /nfs/dbraw/zinc/49/92/09/946499209.db2.gz LNLVNXIKWHHIAZ-CQSZACIVSA-N 2 2 326.448 2.558 20 30 EFEDLP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001579618961 1090644888 /nfs/dbraw/zinc/64/48/88/1090644888.db2.gz YTOORMLEXSUAPT-IAGOWNOFSA-N 2 2 348.878 2.755 20 30 EFEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001580050810 1090755204 /nfs/dbraw/zinc/75/52/04/1090755204.db2.gz MPXDATMARHMMNB-OAHLLOKOSA-N 2 2 345.834 2.553 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001580066831 1090761261 /nfs/dbraw/zinc/76/12/61/1090761261.db2.gz WQALURLPQPZYOQ-SFHVURJKSA-N 3 2 326.488 2.502 20 30 EFEDLP N#Cc1cccc([C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001580075959 1090765143 /nfs/dbraw/zinc/76/51/43/1090765143.db2.gz LVCQYECSVHMWEX-GOSISDBHSA-N 2 2 339.464 2.839 20 30 EFEDLP N#Cc1cccc([C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001580075959 1090765145 /nfs/dbraw/zinc/76/51/45/1090765145.db2.gz LVCQYECSVHMWEX-GOSISDBHSA-N 2 2 339.464 2.839 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267013283 1092337254 /nfs/dbraw/zinc/33/72/54/1092337254.db2.gz YGCKLXNGURJQAZ-SJORKVTESA-N 2 2 332.492 2.606 20 30 EFEDLP N#CC1(c2ccccc2)CC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001649839065 1092730551 /nfs/dbraw/zinc/73/05/51/1092730551.db2.gz NPGNJZZXEVOGQJ-UHFFFAOYSA-N 2 2 333.439 2.527 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699565 1094664270 /nfs/dbraw/zinc/66/42/70/1094664270.db2.gz YPKIRDNDOLWHDO-BRSBDYLESA-N 2 2 344.503 2.564 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167900979 1096342308 /nfs/dbraw/zinc/34/23/08/1096342308.db2.gz OOPUYYDDDKUTGW-UHFFFAOYSA-N 2 2 332.492 2.883 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167737607 1099030392 /nfs/dbraw/zinc/03/03/92/1099030392.db2.gz XLARYZWPNIJEHK-UHFFFAOYSA-N 2 2 332.492 2.585 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481411880 1099675469 /nfs/dbraw/zinc/67/54/69/1099675469.db2.gz LDBQZXJSCIBAHB-QGZVFWFLSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481411880 1099675474 /nfs/dbraw/zinc/67/54/74/1099675474.db2.gz LDBQZXJSCIBAHB-QGZVFWFLSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001026494524 1100028549 /nfs/dbraw/zinc/02/85/49/1100028549.db2.gz UFBKPBKOOPAPFN-UHFFFAOYSA-N 2 2 326.444 2.849 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087607296 1100586744 /nfs/dbraw/zinc/58/67/44/1100586744.db2.gz WPZZUOPILUBLJO-ZCNNSNEGSA-N 2 2 343.515 2.554 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087607296 1100586745 /nfs/dbraw/zinc/58/67/45/1100586745.db2.gz WPZZUOPILUBLJO-ZCNNSNEGSA-N 2 2 343.515 2.554 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1CC ZINC001087607296 1100586747 /nfs/dbraw/zinc/58/67/47/1100586747.db2.gz WPZZUOPILUBLJO-ZCNNSNEGSA-N 2 2 343.515 2.554 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1CC ZINC001087607296 1100586750 /nfs/dbraw/zinc/58/67/50/1100586750.db2.gz WPZZUOPILUBLJO-ZCNNSNEGSA-N 2 2 343.515 2.554 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704982 1100672648 /nfs/dbraw/zinc/67/26/48/1100672648.db2.gz QATDRYSGUHSWSV-LSDHHAIUSA-N 2 2 339.867 2.676 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704982 1100672651 /nfs/dbraw/zinc/67/26/51/1100672651.db2.gz QATDRYSGUHSWSV-LSDHHAIUSA-N 2 2 339.867 2.676 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749398 1100727173 /nfs/dbraw/zinc/72/71/73/1100727173.db2.gz JGTKBUUPDMWHIU-GVDBMIGSSA-N 2 2 341.927 2.971 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749398 1100727175 /nfs/dbraw/zinc/72/71/75/1100727175.db2.gz JGTKBUUPDMWHIU-GVDBMIGSSA-N 2 2 341.927 2.971 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749398 1100727182 /nfs/dbraw/zinc/72/71/82/1100727182.db2.gz JGTKBUUPDMWHIU-GVDBMIGSSA-N 2 2 341.927 2.971 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749398 1100727184 /nfs/dbraw/zinc/72/71/84/1100727184.db2.gz JGTKBUUPDMWHIU-GVDBMIGSSA-N 2 2 341.927 2.971 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422176 1101570412 /nfs/dbraw/zinc/57/04/12/1101570412.db2.gz JGUWRHANYQVBAS-HZPDHXFCSA-N 2 2 332.492 2.819 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422176 1101570424 /nfs/dbraw/zinc/57/04/24/1101570424.db2.gz JGUWRHANYQVBAS-HZPDHXFCSA-N 2 2 332.492 2.819 20 30 EFEDLP N#Cc1ccc(NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001654622210 1101739050 /nfs/dbraw/zinc/73/90/50/1101739050.db2.gz BPQPXEJLRWIRBU-IBGZPJMESA-N 2 2 345.406 2.724 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380769 1103316836 /nfs/dbraw/zinc/31/68/36/1103316836.db2.gz OURPTOUSCJFSFV-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065780 1103384821 /nfs/dbraw/zinc/38/48/21/1103384821.db2.gz GORCJYYWPREIPJ-HDMKZQKVSA-N 2 2 348.878 2.626 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065780 1103384833 /nfs/dbraw/zinc/38/48/33/1103384833.db2.gz GORCJYYWPREIPJ-HDMKZQKVSA-N 2 2 348.878 2.626 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065782 1103386931 /nfs/dbraw/zinc/38/69/31/1103386931.db2.gz GORCJYYWPREIPJ-RLFYNMQTSA-N 2 2 348.878 2.626 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991065782 1103386941 /nfs/dbraw/zinc/38/69/41/1103386941.db2.gz GORCJYYWPREIPJ-RLFYNMQTSA-N 2 2 348.878 2.626 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC2(C)CC[NH2+]CC2)[nH+]1 ZINC001168186575 1104327868 /nfs/dbraw/zinc/32/78/68/1104327868.db2.gz DCUXVOMMJKQKQY-NOPGXUSGSA-N 2 2 336.505 2.825 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001665001287 1104610755 /nfs/dbraw/zinc/61/07/55/1104610755.db2.gz TVJJHBDEHYPGTD-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001665001287 1104610757 /nfs/dbraw/zinc/61/07/57/1104610757.db2.gz TVJJHBDEHYPGTD-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001666573474 1104964670 /nfs/dbraw/zinc/96/46/70/1104964670.db2.gz NJPNXEDQWZFDFH-CQSZACIVSA-N 2 2 347.422 2.590 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239495 1105633528 /nfs/dbraw/zinc/63/35/28/1105633528.db2.gz XFYGLKMCSKANJQ-HOCLYGCPSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239493 1105633680 /nfs/dbraw/zinc/63/36/80/1105633680.db2.gz XFYGLKMCSKANJQ-GOEBONIOSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239496 1105633690 /nfs/dbraw/zinc/63/36/90/1105633690.db2.gz XFYGLKMCSKANJQ-ZBFHGGJFSA-N 2 2 344.846 2.817 20 30 EFEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566746 1105944034 /nfs/dbraw/zinc/94/40/34/1105944034.db2.gz UISNLJXUVWPQEC-QZTJIDSGSA-N 2 2 342.487 2.608 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105568037 1105946845 /nfs/dbraw/zinc/94/68/45/1105946845.db2.gz DLILIIGUQBYNCW-AEFFLSMTSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105568037 1105946849 /nfs/dbraw/zinc/94/68/49/1105946849.db2.gz DLILIIGUQBYNCW-AEFFLSMTSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C1CCC(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000897998661 1106174097 /nfs/dbraw/zinc/17/40/97/1106174097.db2.gz VXOPKNBOHTWCRS-UHFFFAOYSA-N 2 2 333.520 2.751 20 30 EFEDLP C=C1CCC(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000897998661 1106174101 /nfs/dbraw/zinc/17/41/01/1106174101.db2.gz VXOPKNBOHTWCRS-UHFFFAOYSA-N 2 2 333.520 2.751 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(CCO)cc3)CC2)cc1 ZINC000898170421 1106258417 /nfs/dbraw/zinc/25/84/17/1106258417.db2.gz GFBSAOYGBWWFLA-UHFFFAOYSA-N 2 2 349.478 2.847 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970761 1107175164 /nfs/dbraw/zinc/17/51/64/1107175164.db2.gz NIVLAZIMEMSMEB-IXDOHACOSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970761 1107175176 /nfs/dbraw/zinc/17/51/76/1107175176.db2.gz NIVLAZIMEMSMEB-IXDOHACOSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970761 1107175186 /nfs/dbraw/zinc/17/51/86/1107175186.db2.gz NIVLAZIMEMSMEB-IXDOHACOSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970761 1107175190 /nfs/dbraw/zinc/17/51/90/1107175190.db2.gz NIVLAZIMEMSMEB-IXDOHACOSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970760 1107176151 /nfs/dbraw/zinc/17/61/51/1107176151.db2.gz NIVLAZIMEMSMEB-IKGGRYGDSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970760 1107176155 /nfs/dbraw/zinc/17/61/55/1107176155.db2.gz NIVLAZIMEMSMEB-IKGGRYGDSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970760 1107176158 /nfs/dbraw/zinc/17/61/58/1107176158.db2.gz NIVLAZIMEMSMEB-IKGGRYGDSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970760 1107176162 /nfs/dbraw/zinc/17/61/62/1107176162.db2.gz NIVLAZIMEMSMEB-IKGGRYGDSA-N 2 2 341.927 2.973 20 30 EFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000924796923 1107765866 /nfs/dbraw/zinc/76/58/66/1107765866.db2.gz YLKMAXTVDKKELO-KRWDZBQOSA-N 2 2 345.487 2.816 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106130827 1108402921 /nfs/dbraw/zinc/40/29/21/1108402921.db2.gz FAUOHKZOTUEMHB-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990716249 1108886532 /nfs/dbraw/zinc/88/65/32/1108886532.db2.gz XHOVWYCFOWJWRA-XLIONFOSSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990716249 1108886540 /nfs/dbraw/zinc/88/65/40/1108886540.db2.gz XHOVWYCFOWJWRA-XLIONFOSSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106279049 1111292833 /nfs/dbraw/zinc/29/28/33/1111292833.db2.gz WIGDYIADQWGHOR-BRSBDYLESA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106279049 1111292838 /nfs/dbraw/zinc/29/28/38/1111292838.db2.gz WIGDYIADQWGHOR-BRSBDYLESA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106308933 1111396414 /nfs/dbraw/zinc/39/64/14/1111396414.db2.gz IGRRPPIVTMXDES-JFIYKMOQSA-N 2 2 345.487 2.672 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318962 1111406137 /nfs/dbraw/zinc/40/61/37/1111406137.db2.gz QLMFXSZMQPGQFK-GDBMZVCRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089420111 1112096647 /nfs/dbraw/zinc/09/66/47/1112096647.db2.gz JSVFNHHAFZWICR-HNNXBMFYSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089420111 1112096649 /nfs/dbraw/zinc/09/66/49/1112096649.db2.gz JSVFNHHAFZWICR-HNNXBMFYSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547300 1112349432 /nfs/dbraw/zinc/34/94/32/1112349432.db2.gz IGPFEZRUEUDJER-QZTJIDSGSA-N 2 2 344.503 2.606 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652300 1112511430 /nfs/dbraw/zinc/51/14/30/1112511430.db2.gz BRTHHLBSGDDYFE-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652300 1112511433 /nfs/dbraw/zinc/51/14/33/1112511433.db2.gz BRTHHLBSGDDYFE-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652300 1112511435 /nfs/dbraw/zinc/51/14/35/1112511435.db2.gz BRTHHLBSGDDYFE-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652300 1112511438 /nfs/dbraw/zinc/51/14/38/1112511438.db2.gz BRTHHLBSGDDYFE-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001089661740 1112600964 /nfs/dbraw/zinc/60/09/64/1112600964.db2.gz YHEPXUIWIFGHJA-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001089661740 1112600965 /nfs/dbraw/zinc/60/09/65/1112600965.db2.gz YHEPXUIWIFGHJA-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001089661740 1112600966 /nfs/dbraw/zinc/60/09/66/1112600966.db2.gz YHEPXUIWIFGHJA-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001089661740 1112600968 /nfs/dbraw/zinc/60/09/68/1112600968.db2.gz YHEPXUIWIFGHJA-CVEARBPZSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661388 1112612281 /nfs/dbraw/zinc/61/22/81/1112612281.db2.gz WWDYHKMGFVHFKH-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661388 1112612283 /nfs/dbraw/zinc/61/22/83/1112612283.db2.gz WWDYHKMGFVHFKH-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001483973524 1112615167 /nfs/dbraw/zinc/61/51/67/1112615167.db2.gz YEIREMFSBYSHMV-UHFFFAOYSA-N 2 2 338.883 2.730 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272699647 1118339511 /nfs/dbraw/zinc/33/95/11/1118339511.db2.gz MALJDASLEXTXGT-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272699647 1118339516 /nfs/dbraw/zinc/33/95/16/1118339516.db2.gz MALJDASLEXTXGT-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937189 1118627218 /nfs/dbraw/zinc/62/72/18/1118627218.db2.gz NERDNGYWNGQCPP-QZTJIDSGSA-N 2 2 346.519 2.783 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537828 1118939753 /nfs/dbraw/zinc/93/97/53/1118939753.db2.gz GXDNERVYLYRMSU-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537828 1118939755 /nfs/dbraw/zinc/93/97/55/1118939755.db2.gz GXDNERVYLYRMSU-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001112463644 1119729756 /nfs/dbraw/zinc/72/97/56/1119729756.db2.gz UEJRXAYWZKFIPF-JXFKEZNVSA-N 2 2 338.455 2.742 20 30 EFEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)N1 ZINC000262647451 240362995 /nfs/dbraw/zinc/36/29/95/240362995.db2.gz JNOFVIDIDNZEHL-PBHICJAKSA-N 2 2 340.496 2.785 20 30 EFEDLP C[C@@H]1C[NH+]=C(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)N1 ZINC000262647451 240362999 /nfs/dbraw/zinc/36/29/99/240362999.db2.gz JNOFVIDIDNZEHL-PBHICJAKSA-N 2 2 340.496 2.785 20 30 EFEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000073449776 238811149 /nfs/dbraw/zinc/81/11/49/238811149.db2.gz ZDJZNMDWWUEMMJ-QZTJIDSGSA-N 2 2 344.503 2.625 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267237022 201221231 /nfs/dbraw/zinc/22/12/31/201221231.db2.gz LYSLPDDDCMPUHE-NQIIRXRSSA-N 2 2 343.515 2.688 20 30 EFEDLP C=CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000271486099 201242995 /nfs/dbraw/zinc/24/29/95/201242995.db2.gz UBFMWFRTJDALEO-UHFFFAOYSA-N 2 2 345.512 2.824 20 30 EFEDLP C=CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000271486099 201242999 /nfs/dbraw/zinc/24/29/99/201242999.db2.gz UBFMWFRTJDALEO-UHFFFAOYSA-N 2 2 345.512 2.824 20 30 EFEDLP Cc1cc(N2CC[NH+](CCCSCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000173864401 239208001 /nfs/dbraw/zinc/20/80/01/239208001.db2.gz MYIWFUWWUCUWRY-UHFFFAOYSA-N 2 2 333.505 2.677 20 30 EFEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NC[C@@]1(C)CCCS1 ZINC000261949377 240332277 /nfs/dbraw/zinc/33/22/77/240332277.db2.gz GWXRTKVZCVRHGJ-GOSISDBHSA-N 2 2 345.516 2.795 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000262010322 240337728 /nfs/dbraw/zinc/33/77/28/240337728.db2.gz SZZDXHLPVJYNNO-UHFFFAOYSA-N 2 2 330.457 2.542 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000262010322 240337738 /nfs/dbraw/zinc/33/77/38/240337738.db2.gz SZZDXHLPVJYNNO-UHFFFAOYSA-N 2 2 330.457 2.542 20 30 EFEDLP C[NH+]=C(NCCCn1c(C)[nH+]c2ccccc21)NCc1ccco1 ZINC000264050904 240397520 /nfs/dbraw/zinc/39/75/20/240397520.db2.gz MITZXFVFSCJGJI-UHFFFAOYSA-N 2 2 325.416 2.693 20 30 EFEDLP COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000264063797 240399885 /nfs/dbraw/zinc/39/98/85/240399885.db2.gz AIOVVACEOQYIHQ-KRWDZBQOSA-N 2 2 346.500 2.506 20 30 EFEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC1CC[NH+](C2CCCC2)CC1 ZINC000328604541 241209274 /nfs/dbraw/zinc/20/92/74/241209274.db2.gz IRRRQNKSAIAVCX-HNNXBMFYSA-N 2 2 345.491 2.671 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000328861482 241257001 /nfs/dbraw/zinc/25/70/01/241257001.db2.gz LTGIQRBUEQDERV-HNNXBMFYSA-N 2 2 345.491 2.530 20 30 EFEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCCC13CC[NH+](C)CC3)CCC2 ZINC000329034918 241288934 /nfs/dbraw/zinc/28/89/34/241288934.db2.gz BZLJLBQERVHJNZ-MRXNPFEDSA-N 2 2 345.491 2.543 20 30 EFEDLP CN(Cc1[nH+]ccn1C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329284461 241340567 /nfs/dbraw/zinc/34/05/67/241340567.db2.gz LNBXFKUFWFWTCM-UHFFFAOYSA-N 2 2 347.507 2.955 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361047239 242215882 /nfs/dbraw/zinc/21/58/82/242215882.db2.gz WSLDHOFSWIFHAJ-UHFFFAOYSA-N 2 2 330.476 2.576 20 30 EFEDLP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)O1 ZINC000414267132 244068167 /nfs/dbraw/zinc/06/81/67/244068167.db2.gz SMIQHDSYZCOXOZ-MDZRGWNJSA-N 2 2 327.472 2.926 20 30 EFEDLP C=CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741537 244319047 /nfs/dbraw/zinc/31/90/47/244319047.db2.gz MORFSDSFRNYOOU-NVXWUHKLSA-N 2 2 328.464 2.585 20 30 EFEDLP C=CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414741537 244319052 /nfs/dbraw/zinc/31/90/52/244319052.db2.gz MORFSDSFRNYOOU-NVXWUHKLSA-N 2 2 328.464 2.585 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c(C#N)c1C ZINC000111244657 204343433 /nfs/dbraw/zinc/34/34/33/204343433.db2.gz DFZSFEPUDHVLJV-ZDUSSCGKSA-N 2 2 341.415 2.629 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435614338 249384465 /nfs/dbraw/zinc/38/44/65/249384465.db2.gz FIFUCJJTFXYYHG-HNNXBMFYSA-N 2 2 333.501 2.977 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435614338 249384469 /nfs/dbraw/zinc/38/44/69/249384469.db2.gz FIFUCJJTFXYYHG-HNNXBMFYSA-N 2 2 333.501 2.977 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000442711226 250106345 /nfs/dbraw/zinc/10/63/45/250106345.db2.gz DSTPFTVISGBQBS-RTBURBONSA-N 2 2 326.488 2.789 20 30 EFEDLP Cc1cc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000443999802 250246657 /nfs/dbraw/zinc/24/66/57/250246657.db2.gz DQCRQQGCLJVSFL-LEWJYISDSA-N 2 2 335.451 2.592 20 30 EFEDLP Cc1cc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1C#N ZINC000443999802 250246661 /nfs/dbraw/zinc/24/66/61/250246661.db2.gz DQCRQQGCLJVSFL-LEWJYISDSA-N 2 2 335.451 2.592 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267425597 251047390 /nfs/dbraw/zinc/04/73/90/251047390.db2.gz LMKRPCXYPDKHPU-HNNXBMFYSA-N 2 2 334.383 2.711 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267425597 251047394 /nfs/dbraw/zinc/04/73/94/251047394.db2.gz LMKRPCXYPDKHPU-HNNXBMFYSA-N 2 2 334.383 2.711 20 30 EFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000449525030 251053872 /nfs/dbraw/zinc/05/38/72/251053872.db2.gz QIMKGAMBUNFPPV-YLJYHZDGSA-N 2 2 340.471 2.891 20 30 EFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449547655 251060887 /nfs/dbraw/zinc/06/08/87/251060887.db2.gz JINCXTRDOPKTSB-UXHICEINSA-N 2 2 325.456 2.846 20 30 EFEDLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(F)ccc1C#N ZINC000344137640 145377528 /nfs/dbraw/zinc/37/75/28/145377528.db2.gz WBJQDTUTGWBLSV-UHFFFAOYSA-N 2 2 332.467 2.547 20 30 EFEDLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(F)ccc1C#N ZINC000344137640 145377530 /nfs/dbraw/zinc/37/75/30/145377530.db2.gz WBJQDTUTGWBLSV-UHFFFAOYSA-N 2 2 332.467 2.547 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903622 146345657 /nfs/dbraw/zinc/34/56/57/146345657.db2.gz POGLLMCTVUQHME-SIXWZSSISA-N 2 2 342.462 2.738 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903622 146345658 /nfs/dbraw/zinc/34/56/58/146345658.db2.gz POGLLMCTVUQHME-SIXWZSSISA-N 2 2 342.462 2.738 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000373096373 151112596 /nfs/dbraw/zinc/11/25/96/151112596.db2.gz XXRDOOBEMDQEHO-MRXNPFEDSA-N 2 2 348.410 2.721 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000373096373 151112600 /nfs/dbraw/zinc/11/26/00/151112600.db2.gz XXRDOOBEMDQEHO-MRXNPFEDSA-N 2 2 348.410 2.721 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000373096368 151112688 /nfs/dbraw/zinc/11/26/88/151112688.db2.gz XXRDOOBEMDQEHO-INIZCTEOSA-N 2 2 348.410 2.721 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000373096368 151112690 /nfs/dbraw/zinc/11/26/90/151112690.db2.gz XXRDOOBEMDQEHO-INIZCTEOSA-N 2 2 348.410 2.721 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423485882 270028175 /nfs/dbraw/zinc/02/81/75/270028175.db2.gz RZSIJLDLSMSLCG-LJQANCHMSA-N 3 2 326.488 2.644 20 30 EFEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(C#N)cc3F)[nH+]c2)C1 ZINC000269536834 266513448 /nfs/dbraw/zinc/51/34/48/266513448.db2.gz YTKUXAWPQLFIKA-KRWDZBQOSA-N 2 2 339.418 2.845 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311369 267044864 /nfs/dbraw/zinc/04/48/64/267044864.db2.gz OXYGUPKPGDJVOL-AUUYWEPGSA-N 2 2 335.455 2.531 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272311369 267044866 /nfs/dbraw/zinc/04/48/66/267044866.db2.gz OXYGUPKPGDJVOL-AUUYWEPGSA-N 2 2 335.455 2.531 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000271881026 268065385 /nfs/dbraw/zinc/06/53/85/268065385.db2.gz PJCSFDOOABPUJF-LJQANCHMSA-N 2 2 335.455 2.913 20 30 EFEDLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000532950585 269617113 /nfs/dbraw/zinc/61/71/13/269617113.db2.gz PASFJUJBOINXMI-UHFFFAOYSA-N 2 2 334.489 2.610 20 30 EFEDLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000532950585 269617115 /nfs/dbraw/zinc/61/71/15/269617115.db2.gz PASFJUJBOINXMI-UHFFFAOYSA-N 2 2 334.489 2.610 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328801403 278132146 /nfs/dbraw/zinc/13/21/46/278132146.db2.gz ZHBFBDQTINPQQZ-AEFFLSMTSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328801403 278132147 /nfs/dbraw/zinc/13/21/47/278132147.db2.gz ZHBFBDQTINPQQZ-AEFFLSMTSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328801403 278132148 /nfs/dbraw/zinc/13/21/48/278132148.db2.gz ZHBFBDQTINPQQZ-AEFFLSMTSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328801403 278132149 /nfs/dbraw/zinc/13/21/49/278132149.db2.gz ZHBFBDQTINPQQZ-AEFFLSMTSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247640719 289341574 /nfs/dbraw/zinc/34/15/74/289341574.db2.gz SVOZMWKCXOHAIP-IAGOWNOFSA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247640719 289341575 /nfs/dbraw/zinc/34/15/75/289341575.db2.gz SVOZMWKCXOHAIP-IAGOWNOFSA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247640719 289341577 /nfs/dbraw/zinc/34/15/77/289341577.db2.gz SVOZMWKCXOHAIP-IAGOWNOFSA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247640719 289341579 /nfs/dbraw/zinc/34/15/79/289341579.db2.gz SVOZMWKCXOHAIP-IAGOWNOFSA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129429601 293133786 /nfs/dbraw/zinc/13/37/86/293133786.db2.gz ZKVAEGTWHXYBCY-QAPCUYQASA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129429601 293133791 /nfs/dbraw/zinc/13/37/91/293133791.db2.gz ZKVAEGTWHXYBCY-QAPCUYQASA-N 2 2 337.427 2.666 20 30 EFEDLP N#Cc1csc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000177683590 310776014 /nfs/dbraw/zinc/77/60/14/310776014.db2.gz RTZBXNSLZAFKPT-UHFFFAOYSA-N 2 2 340.496 2.922 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CCC#N)CC3CC3)c2cc1C ZINC000081514812 473212625 /nfs/dbraw/zinc/21/26/25/473212625.db2.gz XACGTUYNYBWBCY-KRWDZBQOSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](CCC#N)CC3CC3)c2cc1C ZINC000081514812 473212627 /nfs/dbraw/zinc/21/26/27/473212627.db2.gz XACGTUYNYBWBCY-KRWDZBQOSA-N 2 2 326.444 2.640 20 30 EFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570427 473221592 /nfs/dbraw/zinc/22/15/92/473221592.db2.gz KPUDSBNURVZXKJ-RDJZCZTQSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570427 473221594 /nfs/dbraw/zinc/22/15/94/473221594.db2.gz KPUDSBNURVZXKJ-RDJZCZTQSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570427 473221599 /nfs/dbraw/zinc/22/15/99/473221599.db2.gz KPUDSBNURVZXKJ-RDJZCZTQSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570427 473221603 /nfs/dbraw/zinc/22/16/03/473221603.db2.gz KPUDSBNURVZXKJ-RDJZCZTQSA-N 2 2 328.460 2.549 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124390455 473240298 /nfs/dbraw/zinc/24/02/98/473240298.db2.gz DTGYDKHEGWPWLP-ZDUSSCGKSA-N 2 2 345.834 2.757 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124390455 473240301 /nfs/dbraw/zinc/24/03/01/473240301.db2.gz DTGYDKHEGWPWLP-ZDUSSCGKSA-N 2 2 345.834 2.757 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000083029873 473315083 /nfs/dbraw/zinc/31/50/83/473315083.db2.gz BPTLTBXHZOZTIH-CABCVRRESA-N 2 2 344.484 2.779 20 30 EFEDLP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000185190551 473356103 /nfs/dbraw/zinc/35/61/03/473356103.db2.gz QFQDOODNIKCECV-IBGZPJMESA-N 2 2 329.488 2.909 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000631192732 479950850 /nfs/dbraw/zinc/95/08/50/479950850.db2.gz ACQPQSQWBCECMA-HKUYNNGSSA-N 2 2 339.487 2.712 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000631192732 479950859 /nfs/dbraw/zinc/95/08/59/479950859.db2.gz ACQPQSQWBCECMA-HKUYNNGSSA-N 2 2 339.487 2.712 20 30 EFEDLP C=C(C)COc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)ccc1OC ZINC000076898538 472420135 /nfs/dbraw/zinc/42/01/35/472420135.db2.gz UALDDUZMHUKQPM-QGZVFWFLSA-N 2 2 348.487 2.851 20 30 EFEDLP N#CCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000102400118 472574948 /nfs/dbraw/zinc/57/49/48/472574948.db2.gz FTKNPVZMRWWSGU-LJQANCHMSA-N 2 2 341.503 2.609 20 30 EFEDLP N#CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000102400118 472574958 /nfs/dbraw/zinc/57/49/58/472574958.db2.gz FTKNPVZMRWWSGU-LJQANCHMSA-N 2 2 341.503 2.609 20 30 EFEDLP CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000072692669 472700616 /nfs/dbraw/zinc/70/06/16/472700616.db2.gz GSFQITPYHWOSAC-UHFFFAOYSA-N 2 2 336.524 2.627 20 30 EFEDLP CCC(CC)C[N@H+](CCC#N)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000072692669 472700612 /nfs/dbraw/zinc/70/06/12/472700612.db2.gz GSFQITPYHWOSAC-UHFFFAOYSA-N 2 2 336.524 2.627 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072965729 472748162 /nfs/dbraw/zinc/74/81/62/472748162.db2.gz OPBGTAMIRFMAOI-RTBURBONSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072965729 472748166 /nfs/dbraw/zinc/74/81/66/472748166.db2.gz OPBGTAMIRFMAOI-RTBURBONSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965729 472748171 /nfs/dbraw/zinc/74/81/71/472748171.db2.gz OPBGTAMIRFMAOI-RTBURBONSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965729 472748177 /nfs/dbraw/zinc/74/81/77/472748177.db2.gz OPBGTAMIRFMAOI-RTBURBONSA-N 2 2 333.520 2.773 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157536289 472831204 /nfs/dbraw/zinc/83/12/04/472831204.db2.gz HFSMBXVZLSSDPL-RTBURBONSA-N 2 2 343.490 2.668 20 30 EFEDLP C=CC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000121521435 472865945 /nfs/dbraw/zinc/86/59/45/472865945.db2.gz XYGULAHEFUIGFE-KRWDZBQOSA-N 2 2 335.879 2.711 20 30 EFEDLP C=CC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000121521435 472865952 /nfs/dbraw/zinc/86/59/52/472865952.db2.gz XYGULAHEFUIGFE-KRWDZBQOSA-N 2 2 335.879 2.711 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080959619 473112033 /nfs/dbraw/zinc/11/20/33/473112033.db2.gz PLKOZHUSPZXKJX-JSGCOSHPSA-N 2 2 341.415 2.698 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000080959619 473112041 /nfs/dbraw/zinc/11/20/41/473112041.db2.gz PLKOZHUSPZXKJX-JSGCOSHPSA-N 2 2 341.415 2.698 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000177857766 473444658 /nfs/dbraw/zinc/44/46/58/473444658.db2.gz NSXWBZJWZZDNAQ-DNVCBOLYSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000177857766 473444665 /nfs/dbraw/zinc/44/46/65/473444665.db2.gz NSXWBZJWZZDNAQ-DNVCBOLYSA-N 2 2 333.451 2.924 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135535 473598030 /nfs/dbraw/zinc/59/80/30/473598030.db2.gz WUXKULQHHLWZDM-WOJBJXKFSA-N 2 2 347.547 2.976 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135535 473598035 /nfs/dbraw/zinc/59/80/35/473598035.db2.gz WUXKULQHHLWZDM-WOJBJXKFSA-N 2 2 347.547 2.976 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978806 473603062 /nfs/dbraw/zinc/60/30/62/473603062.db2.gz HCRYOXUFHNHZRY-UYAOXDASSA-N 3 2 337.552 2.754 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978806 473603066 /nfs/dbraw/zinc/60/30/66/473603066.db2.gz HCRYOXUFHNHZRY-UYAOXDASSA-N 3 2 337.552 2.754 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446763 473703166 /nfs/dbraw/zinc/70/31/66/473703166.db2.gz LLFDMOUCFAUWDS-CRAIPNDOSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446763 473703171 /nfs/dbraw/zinc/70/31/71/473703171.db2.gz LLFDMOUCFAUWDS-CRAIPNDOSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245446763 473703175 /nfs/dbraw/zinc/70/31/75/473703175.db2.gz LLFDMOUCFAUWDS-CRAIPNDOSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245446763 473703180 /nfs/dbraw/zinc/70/31/80/473703180.db2.gz LLFDMOUCFAUWDS-CRAIPNDOSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000180147619 473810882 /nfs/dbraw/zinc/81/08/82/473810882.db2.gz ASDLGAQFMANECN-HNNXBMFYSA-N 2 2 334.427 2.581 20 30 EFEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)C1=O ZINC000281936330 473888882 /nfs/dbraw/zinc/88/88/82/473888882.db2.gz IMYBCXOYHSLMKJ-VQIMIIECSA-N 2 2 338.455 2.596 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180488876 473889605 /nfs/dbraw/zinc/88/96/05/473889605.db2.gz HFTAXDQCXYDWIY-RDJZCZTQSA-N 2 2 337.508 2.872 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180489216 473889830 /nfs/dbraw/zinc/88/98/30/473889830.db2.gz VIIADUITVYMJDO-DOTOQJQBSA-N 2 2 337.508 2.920 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000180698719 473944590 /nfs/dbraw/zinc/94/45/90/473944590.db2.gz VNOSROSDQLHSNX-INIZCTEOSA-N 2 2 336.524 2.589 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000264115412 473950886 /nfs/dbraw/zinc/95/08/86/473950886.db2.gz PVHRSAHXZSYUHU-MRXNPFEDSA-N 2 2 342.443 2.733 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246989087 474027206 /nfs/dbraw/zinc/02/72/06/474027206.db2.gz HRSYEOKOTXGYSR-QFBILLFUSA-N 2 2 340.471 2.836 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246989087 474027215 /nfs/dbraw/zinc/02/72/15/474027215.db2.gz HRSYEOKOTXGYSR-QFBILLFUSA-N 2 2 340.471 2.836 20 30 EFEDLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000181483923 474040131 /nfs/dbraw/zinc/04/01/31/474040131.db2.gz BDNPSNPUWHDCIT-OAHLLOKOSA-N 2 2 337.471 2.915 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2csc(C3CC3)n2)cc1 ZINC000270269664 474053449 /nfs/dbraw/zinc/05/34/49/474053449.db2.gz RFQJYWDEEKNQAA-UHFFFAOYSA-N 2 2 330.457 2.919 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188312624 474055864 /nfs/dbraw/zinc/05/58/64/474055864.db2.gz IXGYCCSKHKMVPF-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188312624 474055870 /nfs/dbraw/zinc/05/58/70/474055870.db2.gz IXGYCCSKHKMVPF-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188312624 474055878 /nfs/dbraw/zinc/05/58/78/474055878.db2.gz IXGYCCSKHKMVPF-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188312624 474055886 /nfs/dbraw/zinc/05/58/86/474055886.db2.gz IXGYCCSKHKMVPF-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP CCC(CC)(CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182070617 474092743 /nfs/dbraw/zinc/09/27/43/474092743.db2.gz JXSFXAAKKIAMNF-UHFFFAOYSA-N 2 2 329.488 2.911 20 30 EFEDLP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)cc1 ZINC000182833138 474268383 /nfs/dbraw/zinc/26/83/83/474268383.db2.gz JMZPZOWETOQHLW-LJQANCHMSA-N 2 2 349.438 2.587 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265946414 474397498 /nfs/dbraw/zinc/39/74/98/474397498.db2.gz GNXUVCWRROERMB-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265946414 474397502 /nfs/dbraw/zinc/39/75/02/474397502.db2.gz GNXUVCWRROERMB-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265946414 474397506 /nfs/dbraw/zinc/39/75/06/474397506.db2.gz GNXUVCWRROERMB-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265946414 474397510 /nfs/dbraw/zinc/39/75/10/474397510.db2.gz GNXUVCWRROERMB-SJORKVTESA-N 2 2 349.544 2.925 20 30 EFEDLP Cc1nc(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc[nH+]1 ZINC000183777920 474426810 /nfs/dbraw/zinc/42/68/10/474426810.db2.gz BUZSXTXGPOIQER-UHFFFAOYSA-N 2 2 335.455 2.908 20 30 EFEDLP CCc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC000283562324 474435895 /nfs/dbraw/zinc/43/58/95/474435895.db2.gz NMJCEYGLEXYIPK-UHFFFAOYSA-N 2 2 335.455 2.931 20 30 EFEDLP CCc1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC000283562324 474435907 /nfs/dbraw/zinc/43/59/07/474435907.db2.gz NMJCEYGLEXYIPK-UHFFFAOYSA-N 2 2 335.455 2.931 20 30 EFEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279498 474479590 /nfs/dbraw/zinc/47/95/90/474479590.db2.gz FLAWKCPFKOYFJV-RBUKOAKNSA-N 2 2 341.503 2.608 20 30 EFEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279498 474479596 /nfs/dbraw/zinc/47/95/96/474479596.db2.gz FLAWKCPFKOYFJV-RBUKOAKNSA-N 2 2 341.503 2.608 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266894289 474519623 /nfs/dbraw/zinc/51/96/23/474519623.db2.gz DQWMUNMOGNOJPE-CYBMUJFWSA-N 2 2 343.818 2.753 20 30 EFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266894289 474519625 /nfs/dbraw/zinc/51/96/25/474519625.db2.gz DQWMUNMOGNOJPE-CYBMUJFWSA-N 2 2 343.818 2.753 20 30 EFEDLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000290361277 474568098 /nfs/dbraw/zinc/56/80/98/474568098.db2.gz MTKSWEPECVZHQJ-HXUWFJFHSA-N 2 2 348.450 2.980 20 30 EFEDLP C[N@H+](Cc1ccc(C#N)s1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321693 474579569 /nfs/dbraw/zinc/57/95/69/474579569.db2.gz REUIJWCHVXLQPK-IBGZPJMESA-N 2 2 341.480 2.689 20 30 EFEDLP C[N@@H+](Cc1ccc(C#N)s1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321693 474579574 /nfs/dbraw/zinc/57/95/74/474579574.db2.gz REUIJWCHVXLQPK-IBGZPJMESA-N 2 2 341.480 2.689 20 30 EFEDLP C[NH+](Cc1ccc(C#N)s1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190321693 474579579 /nfs/dbraw/zinc/57/95/79/474579579.db2.gz REUIJWCHVXLQPK-IBGZPJMESA-N 2 2 341.480 2.689 20 30 EFEDLP C[NH+](Cc1ccc(C#N)s1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190321693 474579584 /nfs/dbraw/zinc/57/95/84/474579584.db2.gz REUIJWCHVXLQPK-IBGZPJMESA-N 2 2 341.480 2.689 20 30 EFEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000271872518 474596746 /nfs/dbraw/zinc/59/67/46/474596746.db2.gz NDRGLNBYUPIJJM-GOSISDBHSA-N 3 2 349.482 2.816 20 30 EFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CC1 ZINC000291327607 474600806 /nfs/dbraw/zinc/60/08/06/474600806.db2.gz ZPNCWWAXBDVLHJ-UHFFFAOYSA-N 2 2 336.439 2.773 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252480980 474666532 /nfs/dbraw/zinc/66/65/32/474666532.db2.gz HIICQWGODDMGKO-DOTOQJQBSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252480980 474666539 /nfs/dbraw/zinc/66/65/39/474666539.db2.gz HIICQWGODDMGKO-DOTOQJQBSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000252480980 474666545 /nfs/dbraw/zinc/66/65/45/474666545.db2.gz HIICQWGODDMGKO-DOTOQJQBSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000252480980 474666552 /nfs/dbraw/zinc/66/65/52/474666552.db2.gz HIICQWGODDMGKO-DOTOQJQBSA-N 2 2 328.460 2.691 20 30 EFEDLP CCc1cccc(CC)c1NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267475258 474671369 /nfs/dbraw/zinc/67/13/69/474671369.db2.gz ZAULLOQYEWQGCM-UHFFFAOYSA-N 2 2 328.464 2.538 20 30 EFEDLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OCCCC#N ZINC000268117550 474806484 /nfs/dbraw/zinc/80/64/84/474806484.db2.gz LBAWPPQDIGHKIW-MAUKXSAKSA-N 2 2 343.471 2.950 20 30 EFEDLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OCCCC#N ZINC000268117550 474806489 /nfs/dbraw/zinc/80/64/89/474806489.db2.gz LBAWPPQDIGHKIW-MAUKXSAKSA-N 2 2 343.471 2.950 20 30 EFEDLP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000285416442 475014081 /nfs/dbraw/zinc/01/40/81/475014081.db2.gz GFWHZJRRXVSVHD-QGZVFWFLSA-N 2 2 345.487 2.678 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285690122 475037127 /nfs/dbraw/zinc/03/71/27/475037127.db2.gz OIYCBJIVRGEPAU-KRWDZBQOSA-N 2 2 333.476 2.622 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285690122 475037143 /nfs/dbraw/zinc/03/71/43/475037143.db2.gz OIYCBJIVRGEPAU-KRWDZBQOSA-N 2 2 333.476 2.622 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285690122 475037151 /nfs/dbraw/zinc/03/71/51/475037151.db2.gz OIYCBJIVRGEPAU-KRWDZBQOSA-N 2 2 333.476 2.622 20 30 EFEDLP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccco1 ZINC000285736192 475038096 /nfs/dbraw/zinc/03/80/96/475038096.db2.gz RATADETVHOISQT-HQSKLWIPSA-N 2 2 345.487 2.960 20 30 EFEDLP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccco1 ZINC000285736192 475038102 /nfs/dbraw/zinc/03/81/02/475038102.db2.gz RATADETVHOISQT-HQSKLWIPSA-N 2 2 345.487 2.960 20 30 EFEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccco1 ZINC000286112079 475052410 /nfs/dbraw/zinc/05/24/10/475052410.db2.gz NSTNBLSADXAWFB-SJORKVTESA-N 2 2 333.476 2.819 20 30 EFEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccco1 ZINC000286112079 475052417 /nfs/dbraw/zinc/05/24/17/475052417.db2.gz NSTNBLSADXAWFB-SJORKVTESA-N 2 2 333.476 2.819 20 30 EFEDLP NC(=[NH+]OCCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)nc1 ZINC000281094007 475068051 /nfs/dbraw/zinc/06/80/51/475068051.db2.gz DNIAMTYVBPJGIY-UHFFFAOYSA-N 2 2 345.491 2.585 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268917489 475070739 /nfs/dbraw/zinc/07/07/39/475070739.db2.gz VVENTUKBYUOGSJ-QGZVFWFLSA-N 2 2 329.488 2.824 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542097 475071932 /nfs/dbraw/zinc/07/19/32/475071932.db2.gz ARCQWOGUBZZJNT-IBGZPJMESA-N 3 2 341.499 2.519 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542097 475071940 /nfs/dbraw/zinc/07/19/40/475071940.db2.gz ARCQWOGUBZZJNT-IBGZPJMESA-N 3 2 341.499 2.519 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000294862913 475088230 /nfs/dbraw/zinc/08/82/30/475088230.db2.gz CBYJUIZHVCHBIO-NSHDSACASA-N 2 2 328.229 2.589 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000294862913 475088237 /nfs/dbraw/zinc/08/82/37/475088237.db2.gz CBYJUIZHVCHBIO-NSHDSACASA-N 2 2 328.229 2.589 20 30 EFEDLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000329801659 475136237 /nfs/dbraw/zinc/13/62/37/475136237.db2.gz JATFKIOWKIUOAQ-WBVHZDCISA-N 2 2 345.491 2.558 20 30 EFEDLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000329801659 475136245 /nfs/dbraw/zinc/13/62/45/475136245.db2.gz JATFKIOWKIUOAQ-WBVHZDCISA-N 2 2 345.491 2.558 20 30 EFEDLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329932734 475166301 /nfs/dbraw/zinc/16/63/01/475166301.db2.gz PRMCZWKDMKGTGP-ROUUACIJSA-N 2 2 338.455 2.924 20 30 EFEDLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329932734 475166306 /nfs/dbraw/zinc/16/63/06/475166306.db2.gz PRMCZWKDMKGTGP-ROUUACIJSA-N 2 2 338.455 2.924 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc[nH]c(=O)c1 ZINC000339456811 475226267 /nfs/dbraw/zinc/22/62/67/475226267.db2.gz XQJJKPUZHDAQNC-HNNXBMFYSA-N 2 2 336.439 2.974 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330657875 475262796 /nfs/dbraw/zinc/26/27/96/475262796.db2.gz OMSZUWMAOHHONY-FRQCXROJSA-N 2 2 345.491 2.525 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330657875 475262806 /nfs/dbraw/zinc/26/28/06/475262806.db2.gz OMSZUWMAOHHONY-FRQCXROJSA-N 2 2 345.491 2.525 20 30 EFEDLP CCC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+]1CCOC ZINC000331326485 475338852 /nfs/dbraw/zinc/33/88/52/475338852.db2.gz MWXKCGUKQQJFSB-KRWDZBQOSA-N 2 2 348.491 2.985 20 30 EFEDLP CCC[C@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+]1CCOC ZINC000331326485 475338857 /nfs/dbraw/zinc/33/88/57/475338857.db2.gz MWXKCGUKQQJFSB-KRWDZBQOSA-N 2 2 348.491 2.985 20 30 EFEDLP COCCC[NH+]1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331341002 475342385 /nfs/dbraw/zinc/34/23/85/475342385.db2.gz SKKHUYINBLKYIG-UHFFFAOYSA-N 2 2 334.464 2.834 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)[nH+]1 ZINC000331344943 475343303 /nfs/dbraw/zinc/34/33/03/475343303.db2.gz VAIUYRLLJGZKAI-INIZCTEOSA-N 2 2 334.464 2.690 20 30 EFEDLP Cc1cc(C)c(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)[nH+]1 ZINC000331344943 475343309 /nfs/dbraw/zinc/34/33/09/475343309.db2.gz VAIUYRLLJGZKAI-INIZCTEOSA-N 2 2 334.464 2.690 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000362035711 475953997 /nfs/dbraw/zinc/95/39/97/475953997.db2.gz DQNPWPPSUYGWEA-WOJBJXKFSA-N 2 2 325.456 2.680 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372965404 476366694 /nfs/dbraw/zinc/36/66/94/476366694.db2.gz MIAWTUPQBMHODF-NNVNDSJASA-N 2 2 348.535 2.722 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372965404 476366699 /nfs/dbraw/zinc/36/66/99/476366699.db2.gz MIAWTUPQBMHODF-NNVNDSJASA-N 2 2 348.535 2.722 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500888 476474710 /nfs/dbraw/zinc/47/47/10/476474710.db2.gz XTCOSVRFKRQDOO-SOUVJXGZSA-N 2 2 331.485 2.572 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500888 476474714 /nfs/dbraw/zinc/47/47/14/476474714.db2.gz XTCOSVRFKRQDOO-SOUVJXGZSA-N 2 2 331.485 2.572 20 30 EFEDLP C[NH+](C)Cc1cnc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000351549649 476480155 /nfs/dbraw/zinc/48/01/55/476480155.db2.gz CFRAHXSNULUMDI-UHFFFAOYSA-N 2 2 331.445 2.894 20 30 EFEDLP C=CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000351903166 476505945 /nfs/dbraw/zinc/50/59/45/476505945.db2.gz LAXBPASBCJIHBX-UHFFFAOYSA-N 2 2 333.476 2.602 20 30 EFEDLP C=CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000351903166 476505951 /nfs/dbraw/zinc/50/59/51/476505951.db2.gz LAXBPASBCJIHBX-UHFFFAOYSA-N 2 2 333.476 2.602 20 30 EFEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000365902195 476758601 /nfs/dbraw/zinc/75/86/01/476758601.db2.gz UOWMYRZMCBWOEQ-ZDUSSCGKSA-N 2 2 329.429 2.551 20 30 EFEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000365902195 476758610 /nfs/dbraw/zinc/75/86/10/476758610.db2.gz UOWMYRZMCBWOEQ-ZDUSSCGKSA-N 2 2 329.429 2.551 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cnn4ccccc34)CC2)cc1 ZINC000376123587 477184870 /nfs/dbraw/zinc/18/48/70/477184870.db2.gz UBESJXKEBZZUKA-UHFFFAOYSA-N 2 2 345.450 2.960 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289370 477220625 /nfs/dbraw/zinc/22/06/25/477220625.db2.gz KHUZKHPVAMSYSX-QYZOEREBSA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC#Cc1cccc(Cl)c1 ZINC000371289370 477220648 /nfs/dbraw/zinc/22/06/48/477220648.db2.gz KHUZKHPVAMSYSX-QYZOEREBSA-N 2 2 332.875 2.875 20 30 EFEDLP Cc1oc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000366871931 477232917 /nfs/dbraw/zinc/23/29/17/477232917.db2.gz WDLZSKDBBBOEOG-UHFFFAOYSA-N 2 2 344.459 2.514 20 30 EFEDLP Cc1oc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000366871931 477232927 /nfs/dbraw/zinc/23/29/27/477232927.db2.gz WDLZSKDBBBOEOG-UHFFFAOYSA-N 2 2 344.459 2.514 20 30 EFEDLP Cn1c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2[nH+]c1C(C)(C)C ZINC000424177476 477318738 /nfs/dbraw/zinc/31/87/38/477318738.db2.gz UPVSZHDLXQDPPS-ZDUSSCGKSA-N 2 2 327.432 2.830 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212835 477489838 /nfs/dbraw/zinc/48/98/38/477489838.db2.gz VOBXLDSWNNDYKY-FUFFSDJGSA-N 2 2 327.472 2.684 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212835 477489844 /nfs/dbraw/zinc/48/98/44/477489844.db2.gz VOBXLDSWNNDYKY-FUFFSDJGSA-N 2 2 327.472 2.684 20 30 EFEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC2(C#N)CCC2)[C@@H]1c1cnn(C)c1 ZINC000450794658 477720580 /nfs/dbraw/zinc/72/05/80/477720580.db2.gz RZMNKJMJIDNUHO-FUHWJXTLSA-N 2 2 329.492 2.819 20 30 EFEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC2(C#N)CCC2)[C@@H]1c1cnn(C)c1 ZINC000450794658 477720586 /nfs/dbraw/zinc/72/05/86/477720586.db2.gz RZMNKJMJIDNUHO-FUHWJXTLSA-N 2 2 329.492 2.819 20 30 EFEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC2(C#N)CCC2)[C@@H]1c1cnn(C)c1 ZINC000450794658 477720590 /nfs/dbraw/zinc/72/05/90/477720590.db2.gz RZMNKJMJIDNUHO-FUHWJXTLSA-N 2 2 329.492 2.819 20 30 EFEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC2(C#N)CCC2)[C@@H]1c1cnn(C)c1 ZINC000450794658 477720597 /nfs/dbraw/zinc/72/05/97/477720597.db2.gz RZMNKJMJIDNUHO-FUHWJXTLSA-N 2 2 329.492 2.819 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420362975 477721273 /nfs/dbraw/zinc/72/12/73/477721273.db2.gz NNELHYJJWDZREQ-INIZCTEOSA-N 2 2 333.501 2.881 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000420997690 477887833 /nfs/dbraw/zinc/88/78/33/477887833.db2.gz AKSMFTBOYIMYPU-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000420997690 477887844 /nfs/dbraw/zinc/88/78/44/477887844.db2.gz AKSMFTBOYIMYPU-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000420997690 477887852 /nfs/dbraw/zinc/88/78/52/477887852.db2.gz AKSMFTBOYIMYPU-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000420997690 477887860 /nfs/dbraw/zinc/88/78/60/477887860.db2.gz AKSMFTBOYIMYPU-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000439448951 477978283 /nfs/dbraw/zinc/97/82/83/477978283.db2.gz HJYZNUOFZNQZTD-DNVCBOLYSA-N 2 2 346.906 2.669 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000439448951 477978293 /nfs/dbraw/zinc/97/82/93/477978293.db2.gz HJYZNUOFZNQZTD-DNVCBOLYSA-N 2 2 346.906 2.669 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462262 477981377 /nfs/dbraw/zinc/98/13/77/477981377.db2.gz ORTTYAQJRZJVNQ-NJAFHUGGSA-N 2 2 333.863 2.895 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC000439462262 477981384 /nfs/dbraw/zinc/98/13/84/477981384.db2.gz ORTTYAQJRZJVNQ-NJAFHUGGSA-N 2 2 333.863 2.895 20 30 EFEDLP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726827 478061418 /nfs/dbraw/zinc/06/14/18/478061418.db2.gz BUGONIJDSGTMJT-IBGZPJMESA-N 3 2 340.515 2.844 20 30 EFEDLP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726827 478061425 /nfs/dbraw/zinc/06/14/25/478061425.db2.gz BUGONIJDSGTMJT-IBGZPJMESA-N 3 2 340.515 2.844 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129843 478126408 /nfs/dbraw/zinc/12/64/08/478126408.db2.gz ZRFQDPQRLAOWMC-MRXNPFEDSA-N 2 2 328.460 2.547 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440761735 478158631 /nfs/dbraw/zinc/15/86/31/478158631.db2.gz GVSQZUXKJPIVGN-ROUUACIJSA-N 2 2 341.455 2.758 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440761735 478158636 /nfs/dbraw/zinc/15/86/36/478158636.db2.gz GVSQZUXKJPIVGN-ROUUACIJSA-N 2 2 341.455 2.758 20 30 EFEDLP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+](C)CCC#N ZINC000581603696 478397809 /nfs/dbraw/zinc/39/78/09/478397809.db2.gz NOBRJPGJOUYOID-IEBWSBKVSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+](C)CCC#N ZINC000581603696 478397812 /nfs/dbraw/zinc/39/78/12/478397812.db2.gz NOBRJPGJOUYOID-IEBWSBKVSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000581603696 478397818 /nfs/dbraw/zinc/39/78/18/478397818.db2.gz NOBRJPGJOUYOID-IEBWSBKVSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000581603696 478397824 /nfs/dbraw/zinc/39/78/24/478397824.db2.gz NOBRJPGJOUYOID-IEBWSBKVSA-N 2 2 344.503 2.992 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000491167825 478458796 /nfs/dbraw/zinc/45/87/96/478458796.db2.gz ZSYKUMHMNIRWRC-CQSZACIVSA-N 2 2 331.851 2.526 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000491167825 478458803 /nfs/dbraw/zinc/45/88/03/478458803.db2.gz ZSYKUMHMNIRWRC-CQSZACIVSA-N 2 2 331.851 2.526 20 30 EFEDLP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N ZINC000600775155 478514540 /nfs/dbraw/zinc/51/45/40/478514540.db2.gz LHUOBKSQLSCZKB-UONOGXRCSA-N 2 2 327.350 2.526 20 30 EFEDLP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N ZINC000600775155 478514545 /nfs/dbraw/zinc/51/45/45/478514545.db2.gz LHUOBKSQLSCZKB-UONOGXRCSA-N 2 2 327.350 2.526 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000491426290 478544333 /nfs/dbraw/zinc/54/43/33/478544333.db2.gz FVJLYZYWCKDEME-CYBMUJFWSA-N 2 2 342.306 2.901 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000491426290 478544339 /nfs/dbraw/zinc/54/43/39/478544339.db2.gz FVJLYZYWCKDEME-CYBMUJFWSA-N 2 2 342.306 2.901 20 30 EFEDLP COc1cccc([C@@H](CNc2cc(C)[nH+]cc2C#N)[NH+]2CCCC2)c1 ZINC000591817497 478639264 /nfs/dbraw/zinc/63/92/64/478639264.db2.gz LORLYISVMYSXTH-HXUWFJFHSA-N 2 2 336.439 2.941 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056028 478643122 /nfs/dbraw/zinc/64/31/22/478643122.db2.gz PFPIPKLRCRCHRS-LAUBAEHRSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056028 478643126 /nfs/dbraw/zinc/64/31/26/478643126.db2.gz PFPIPKLRCRCHRS-LAUBAEHRSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056030 478644422 /nfs/dbraw/zinc/64/44/22/478644422.db2.gz PFPIPKLRCRCHRS-UWJYYQICSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056030 478644429 /nfs/dbraw/zinc/64/44/29/478644429.db2.gz PFPIPKLRCRCHRS-UWJYYQICSA-N 2 2 334.467 2.996 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000491718837 478647999 /nfs/dbraw/zinc/64/79/99/478647999.db2.gz WNFHKTZUPNOVGI-IBGZPJMESA-N 2 2 329.394 2.994 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000491718837 478648005 /nfs/dbraw/zinc/64/80/05/478648005.db2.gz WNFHKTZUPNOVGI-IBGZPJMESA-N 2 2 329.394 2.994 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000491777842 478674003 /nfs/dbraw/zinc/67/40/03/478674003.db2.gz IDLRRLNFGSHNQQ-LJQANCHMSA-N 3 2 327.516 2.627 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000491777842 478674008 /nfs/dbraw/zinc/67/40/08/478674008.db2.gz IDLRRLNFGSHNQQ-LJQANCHMSA-N 3 2 327.516 2.627 20 30 EFEDLP Cc1[nH]c2nc[nH+]c(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1C ZINC000591891350 478679084 /nfs/dbraw/zinc/67/90/84/478679084.db2.gz OXLZWOHDBFPXRW-UHFFFAOYSA-N 2 2 346.438 2.769 20 30 EFEDLP C=CC[N@@H+](Cc1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496664210 478680894 /nfs/dbraw/zinc/68/08/94/478680894.db2.gz UBNVFADRBQBVIJ-HXUWFJFHSA-N 2 2 341.455 2.549 20 30 EFEDLP C=CC[N@H+](Cc1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496664210 478680906 /nfs/dbraw/zinc/68/09/06/478680906.db2.gz UBNVFADRBQBVIJ-HXUWFJFHSA-N 2 2 341.455 2.549 20 30 EFEDLP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595288343 478715980 /nfs/dbraw/zinc/71/59/80/478715980.db2.gz ZAMURZBLGROTIJ-OALUTQOASA-N 2 2 340.515 2.654 20 30 EFEDLP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592375510 478874058 /nfs/dbraw/zinc/87/40/58/478874058.db2.gz SLLXNSUJZGFKRK-OXQOHEQNSA-N 2 2 329.488 2.909 20 30 EFEDLP N#CC[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623609 478896525 /nfs/dbraw/zinc/89/65/25/478896525.db2.gz VJMFQDYRZRQWJL-UXHICEINSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623609 478896527 /nfs/dbraw/zinc/89/65/27/478896527.db2.gz VJMFQDYRZRQWJL-UXHICEINSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623609 478896531 /nfs/dbraw/zinc/89/65/31/478896531.db2.gz VJMFQDYRZRQWJL-UXHICEINSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623609 478896533 /nfs/dbraw/zinc/89/65/33/478896533.db2.gz VJMFQDYRZRQWJL-UXHICEINSA-N 2 2 327.472 2.903 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000583734386 478926468 /nfs/dbraw/zinc/92/64/68/478926468.db2.gz AKRLHQXFTPMNHX-UHFFFAOYSA-N 2 2 349.441 2.760 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000583734386 478926475 /nfs/dbraw/zinc/92/64/75/478926475.db2.gz AKRLHQXFTPMNHX-UHFFFAOYSA-N 2 2 349.441 2.760 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000598699546 478978514 /nfs/dbraw/zinc/97/85/14/478978514.db2.gz GKGUGMFOGJHFDG-SFHVURJKSA-N 2 2 333.451 2.680 20 30 EFEDLP CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000598701914 478980016 /nfs/dbraw/zinc/98/00/16/478980016.db2.gz ZSYFKPIRZJKTEI-OALUTQOASA-N 2 2 329.488 2.714 20 30 EFEDLP CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000598701914 478980022 /nfs/dbraw/zinc/98/00/22/478980022.db2.gz ZSYFKPIRZJKTEI-OALUTQOASA-N 2 2 329.488 2.714 20 30 EFEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725044 478991690 /nfs/dbraw/zinc/99/16/90/478991690.db2.gz UGKAVJVUFUTJQP-RBUKOAKNSA-N 2 2 329.488 2.787 20 30 EFEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598725044 478991701 /nfs/dbraw/zinc/99/17/01/478991701.db2.gz UGKAVJVUFUTJQP-RBUKOAKNSA-N 2 2 329.488 2.787 20 30 EFEDLP N#C[C@@H]1CC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000565989457 479082492 /nfs/dbraw/zinc/08/24/92/479082492.db2.gz RRLSBIHXLLUVJS-HUUCEWRRSA-N 2 2 339.443 2.542 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000566126401 479085957 /nfs/dbraw/zinc/08/59/57/479085957.db2.gz ZANMNMRMPUKKBU-UWVAXJGDSA-N 2 2 343.471 2.585 20 30 EFEDLP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994309 479119220 /nfs/dbraw/zinc/11/92/20/479119220.db2.gz JLLXRVKOZJAQGF-HXUWFJFHSA-N 3 2 340.515 2.844 20 30 EFEDLP C[N@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994309 479119226 /nfs/dbraw/zinc/11/92/26/479119226.db2.gz JLLXRVKOZJAQGF-HXUWFJFHSA-N 3 2 340.515 2.844 20 30 EFEDLP N#CCCn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(-c2ccccc2)n1 ZINC000548622999 479127063 /nfs/dbraw/zinc/12/70/63/479127063.db2.gz PTUZGFARPLGYKV-SFHVURJKSA-N 2 2 346.438 2.765 20 30 EFEDLP N#CCCn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(-c2ccccc2)n1 ZINC000548622998 479127108 /nfs/dbraw/zinc/12/71/08/479127108.db2.gz PTUZGFARPLGYKV-GOSISDBHSA-N 2 2 346.438 2.765 20 30 EFEDLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320209 479294195 /nfs/dbraw/zinc/29/41/95/479294195.db2.gz AQXLJKLQHPUNTK-JXFKEZNVSA-N 3 2 326.488 2.500 20 30 EFEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390168 479365510 /nfs/dbraw/zinc/36/55/10/479365510.db2.gz HCURYKYDLXGGAB-QUCCMNQESA-N 2 2 327.472 2.882 20 30 EFEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390168 479365515 /nfs/dbraw/zinc/36/55/15/479365515.db2.gz HCURYKYDLXGGAB-QUCCMNQESA-N 2 2 327.472 2.882 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602499151 479369046 /nfs/dbraw/zinc/36/90/46/479369046.db2.gz NFVGDIRUBPIWSE-HKUYNNGSSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602499151 479369053 /nfs/dbraw/zinc/36/90/53/479369053.db2.gz NFVGDIRUBPIWSE-HKUYNNGSSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438652 479380451 /nfs/dbraw/zinc/38/04/51/479380451.db2.gz UMGGRZWSZDYVKY-LPHOPBHVSA-N 2 2 327.472 2.927 20 30 EFEDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593693334 479425480 /nfs/dbraw/zinc/42/54/80/479425480.db2.gz UWVIENRJMSJJMR-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593702289 479428356 /nfs/dbraw/zinc/42/83/56/479428356.db2.gz LBBIIQJUZIPSAA-UHFFFAOYSA-N 3 2 340.515 2.985 20 30 EFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCOC1 ZINC000593720073 479434102 /nfs/dbraw/zinc/43/41/02/479434102.db2.gz GBWGIULGEHUXFL-UYAOXDASSA-N 2 2 327.472 2.927 20 30 EFEDLP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593725644 479434973 /nfs/dbraw/zinc/43/49/73/479434973.db2.gz ORICXFSVEAILNB-MRXNPFEDSA-N 2 2 335.455 2.533 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723732 479435114 /nfs/dbraw/zinc/43/51/14/479435114.db2.gz YBOMRUQIXJUBKN-OXQOHEQNSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723732 479435119 /nfs/dbraw/zinc/43/51/19/479435119.db2.gz YBOMRUQIXJUBKN-OXQOHEQNSA-N 3 2 326.488 2.595 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000578435432 479605876 /nfs/dbraw/zinc/60/58/76/479605876.db2.gz BJQWJQLHNQMIBX-GOSISDBHSA-N 2 2 337.423 2.592 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000653620696 481367782 /nfs/dbraw/zinc/36/77/82/481367782.db2.gz VPKPNXMBTRAYRS-PXNSSMCTSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000653620696 481367788 /nfs/dbraw/zinc/36/77/88/481367788.db2.gz VPKPNXMBTRAYRS-PXNSSMCTSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](C)COC ZINC000661242509 482387855 /nfs/dbraw/zinc/38/78/55/482387855.db2.gz BLYYGOYZHJXGTG-IAGOWNOFSA-N 2 2 331.460 2.537 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171724383 526415937 /nfs/dbraw/zinc/41/59/37/526415937.db2.gz JUUFIIOIKVGOKA-VMPITWQZSA-N 2 2 336.439 2.652 20 30 EFEDLP CC(C)(C)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181767720 527697451 /nfs/dbraw/zinc/69/74/51/527697451.db2.gz LAWNPYJFTPSQGI-LJQANCHMSA-N 2 2 329.488 2.909 20 30 EFEDLP CC[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159972136 528817201 /nfs/dbraw/zinc/81/72/01/528817201.db2.gz RWSXKCFSJLIISZ-DYVFJYSZSA-N 2 2 344.463 2.537 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181920025 529000629 /nfs/dbraw/zinc/00/06/29/529000629.db2.gz FUPSHLVSYBMGOT-UHFFFAOYSA-N 3 2 340.515 2.985 20 30 EFEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236780761 535115886 /nfs/dbraw/zinc/11/58/86/535115886.db2.gz WUNIQOKGYOELOS-FQEVSTJZSA-N 2 2 345.487 2.816 20 30 EFEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236780761 535115890 /nfs/dbraw/zinc/11/58/90/535115890.db2.gz WUNIQOKGYOELOS-FQEVSTJZSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000341929388 545942758 /nfs/dbraw/zinc/94/27/58/545942758.db2.gz KJABEGUQOITUOJ-ZULIPRJHSA-N 2 2 332.488 2.754 20 30 EFEDLP C=CCN(CC=C)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655688409 546533220 /nfs/dbraw/zinc/53/32/20/546533220.db2.gz ZYYKKIKMUJAHBN-PMACEKPBSA-N 2 2 335.536 2.528 20 30 EFEDLP C=CCCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000657300319 547093826 /nfs/dbraw/zinc/09/38/26/547093826.db2.gz LPEATPJLBIEMAE-UHFFFAOYSA-N 2 2 325.460 2.740 20 30 EFEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)nn1 ZINC000657308030 547101349 /nfs/dbraw/zinc/10/13/49/547101349.db2.gz MEFYDTPVLUEZAR-UHFFFAOYSA-N 2 2 327.476 2.984 20 30 EFEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)nn1 ZINC000657308030 547101354 /nfs/dbraw/zinc/10/13/54/547101354.db2.gz MEFYDTPVLUEZAR-UHFFFAOYSA-N 2 2 327.476 2.984 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000657335965 547116565 /nfs/dbraw/zinc/11/65/65/547116565.db2.gz VMAGAJBOBIDGIR-LJQANCHMSA-N 2 2 339.487 2.856 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000657335965 547116569 /nfs/dbraw/zinc/11/65/69/547116569.db2.gz VMAGAJBOBIDGIR-LJQANCHMSA-N 2 2 339.487 2.856 20 30 EFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000657831804 547296720 /nfs/dbraw/zinc/29/67/20/547296720.db2.gz BRXVOTASYONDPR-RTBURBONSA-N 2 2 343.519 2.713 20 30 EFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000658011992 547336068 /nfs/dbraw/zinc/33/60/68/547336068.db2.gz FGQLDKPFJAGZPR-YGPBLSMFSA-N 2 2 333.520 2.795 20 30 EFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000658011992 547336073 /nfs/dbraw/zinc/33/60/73/547336073.db2.gz FGQLDKPFJAGZPR-YGPBLSMFSA-N 2 2 333.520 2.795 20 30 EFEDLP C(=[NH+]NC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(N2CCCCC2)cc1 ZINC000753941653 575363822 /nfs/dbraw/zinc/36/38/22/575363822.db2.gz ZWFOULIYYRDVCO-QZTJIDSGSA-N 2 2 325.460 2.871 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755790377 575634772 /nfs/dbraw/zinc/63/47/72/575634772.db2.gz SEFZICDTMVSHLG-QGZVFWFLSA-N 2 2 332.411 2.602 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755790377 575634778 /nfs/dbraw/zinc/63/47/78/575634778.db2.gz SEFZICDTMVSHLG-QGZVFWFLSA-N 2 2 332.411 2.602 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761839975 576218463 /nfs/dbraw/zinc/21/84/63/576218463.db2.gz WWNDHGIJKJXNNH-HNNXBMFYSA-N 2 2 347.426 2.582 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761839975 576218466 /nfs/dbraw/zinc/21/84/66/576218466.db2.gz WWNDHGIJKJXNNH-HNNXBMFYSA-N 2 2 347.426 2.582 20 30 EFEDLP N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000763236983 576368700 /nfs/dbraw/zinc/36/87/00/576368700.db2.gz VJINEQVORQYEBG-IBGZPJMESA-N 2 2 336.370 2.706 20 30 EFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000764626965 576481064 /nfs/dbraw/zinc/48/10/64/576481064.db2.gz OLQNEXYDKKEIHT-XLIONFOSSA-N 2 2 330.472 2.706 20 30 EFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000764626965 576481068 /nfs/dbraw/zinc/48/10/68/576481068.db2.gz OLQNEXYDKKEIHT-XLIONFOSSA-N 2 2 330.472 2.706 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107459 577007427 /nfs/dbraw/zinc/00/74/27/577007427.db2.gz SWQPGBNAWSUBPZ-AZUAARDMSA-N 2 2 335.455 2.795 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107459 577007429 /nfs/dbraw/zinc/00/74/29/577007429.db2.gz SWQPGBNAWSUBPZ-AZUAARDMSA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107459 577007431 /nfs/dbraw/zinc/00/74/31/577007431.db2.gz SWQPGBNAWSUBPZ-AZUAARDMSA-N 2 2 335.455 2.795 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC[C@H]21 ZINC000765107459 577007432 /nfs/dbraw/zinc/00/74/32/577007432.db2.gz SWQPGBNAWSUBPZ-AZUAARDMSA-N 2 2 335.455 2.795 20 30 EFEDLP C=CCOc1cccc(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000769489368 577366744 /nfs/dbraw/zinc/36/67/44/577366744.db2.gz YQUFGQOSPIXWAE-HNNXBMFYSA-N 2 2 331.485 2.860 20 30 EFEDLP C#C[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975696 577396191 /nfs/dbraw/zinc/39/61/91/577396191.db2.gz HWHUDIRQZOEHEM-QAPCUYQASA-N 2 2 347.890 2.547 20 30 EFEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975696 577396192 /nfs/dbraw/zinc/39/61/92/577396192.db2.gz HWHUDIRQZOEHEM-QAPCUYQASA-N 2 2 347.890 2.547 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000771552707 581222252 /nfs/dbraw/zinc/22/22/52/581222252.db2.gz IMIKZZZDBJSIKL-UHFFFAOYSA-N 2 2 339.399 2.793 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000771553882 581222259 /nfs/dbraw/zinc/22/22/59/581222259.db2.gz SJJZUKJVBARDSW-UHFFFAOYSA-N 2 2 339.399 2.793 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001484100576 1252250783 /nfs/dbraw/zinc/25/07/83/1252250783.db2.gz NOYPFMQVXDRKOD-QGZVFWFLSA-N 2 2 332.835 2.529 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089694025 1252288504 /nfs/dbraw/zinc/28/85/04/1252288504.db2.gz RLEWCJCLAVBUGE-CABCVRRESA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089694025 1252288517 /nfs/dbraw/zinc/28/85/17/1252288517.db2.gz RLEWCJCLAVBUGE-CABCVRRESA-N 2 2 330.476 2.622 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089696357 1252303112 /nfs/dbraw/zinc/30/31/12/1252303112.db2.gz ZFHXGZOZEXNOEC-GVDBMIGSSA-N 2 2 344.503 2.707 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089696357 1252303123 /nfs/dbraw/zinc/30/31/23/1252303123.db2.gz ZFHXGZOZEXNOEC-GVDBMIGSSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484341886 1252428375 /nfs/dbraw/zinc/42/83/75/1252428375.db2.gz DIFUSKPAWRKPEE-QWHCGFSZSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000996514081 1255370716 /nfs/dbraw/zinc/37/07/16/1255370716.db2.gz MTLHZCVCDVFHQW-UHFFFAOYSA-N 2 2 332.835 2.589 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448779 1255844825 /nfs/dbraw/zinc/84/48/25/1255844825.db2.gz TXVCXSGWBFDFAZ-UYAOXDASSA-N 2 2 343.471 2.570 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448779 1255844836 /nfs/dbraw/zinc/84/48/36/1255844836.db2.gz TXVCXSGWBFDFAZ-UYAOXDASSA-N 2 2 343.471 2.570 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573425 1256168915 /nfs/dbraw/zinc/16/89/15/1256168915.db2.gz AACRPASUYDQFIM-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573425 1256168919 /nfs/dbraw/zinc/16/89/19/1256168919.db2.gz AACRPASUYDQFIM-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573425 1256168925 /nfs/dbraw/zinc/16/89/25/1256168925.db2.gz AACRPASUYDQFIM-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573425 1256168931 /nfs/dbraw/zinc/16/89/31/1256168931.db2.gz AACRPASUYDQFIM-KVSKMBFKSA-N 2 2 330.476 2.525 20 30 EFEDLP N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000921527384 1257015961 /nfs/dbraw/zinc/01/59/61/1257015961.db2.gz LYOGUYCMDONJHJ-ZDUSSCGKSA-N 2 2 334.261 2.895 20 30 EFEDLP N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000921527384 1257015969 /nfs/dbraw/zinc/01/59/69/1257015969.db2.gz LYOGUYCMDONJHJ-ZDUSSCGKSA-N 2 2 334.261 2.895 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997748997 1258351028 /nfs/dbraw/zinc/35/10/28/1258351028.db2.gz TYFBIZZXHZNNIC-HOCLYGCPSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998048276 1259014995 /nfs/dbraw/zinc/01/49/95/1259014995.db2.gz VMCYNYMNVJFBOZ-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998048276 1259015000 /nfs/dbraw/zinc/01/50/00/1259015000.db2.gz VMCYNYMNVJFBOZ-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998047580 1259023577 /nfs/dbraw/zinc/02/35/77/1259023577.db2.gz QPZDAGCFHVLORK-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998047580 1259023586 /nfs/dbraw/zinc/02/35/86/1259023586.db2.gz QPZDAGCFHVLORK-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998047629 1259025254 /nfs/dbraw/zinc/02/52/54/1259025254.db2.gz RCISTHLVROVBAC-KRWDZBQOSA-N 2 2 338.455 2.903 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998047629 1259025266 /nfs/dbraw/zinc/02/52/66/1259025266.db2.gz RCISTHLVROVBAC-KRWDZBQOSA-N 2 2 338.455 2.903 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998115970 1259130872 /nfs/dbraw/zinc/13/08/72/1259130872.db2.gz MFVFNORCPIAVAR-SJORKVTESA-N 2 2 342.487 2.556 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998125827 1259137531 /nfs/dbraw/zinc/13/75/31/1259137531.db2.gz LQIBRRQTPFJCES-KZNAEPCWSA-N 2 2 344.503 2.803 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998125827 1259137538 /nfs/dbraw/zinc/13/75/38/1259137538.db2.gz LQIBRRQTPFJCES-KZNAEPCWSA-N 2 2 344.503 2.803 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001078681277 1262172284 /nfs/dbraw/zinc/17/22/84/1262172284.db2.gz XWEDPRWCEPYNME-HUUCEWRRSA-N 2 2 344.846 2.717 20 30 EFEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001078688573 1262209748 /nfs/dbraw/zinc/20/97/48/1262209748.db2.gz RRJYGYVABPPEPU-ZWKOTPCHSA-N 2 2 336.439 2.689 20 30 EFEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078768822 1262302739 /nfs/dbraw/zinc/30/27/39/1262302739.db2.gz WUUZYBUQMXOSFF-QZTJIDSGSA-N 2 2 336.439 2.689 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185395 1262765397 /nfs/dbraw/zinc/76/53/97/1262765397.db2.gz AQWFLXYEPZINAL-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185395 1262765404 /nfs/dbraw/zinc/76/54/04/1262765404.db2.gz AQWFLXYEPZINAL-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085244491 1266920448 /nfs/dbraw/zinc/92/04/48/1266920448.db2.gz GOOVQDPQUCJYPO-HUUCEWRRSA-N 2 2 332.835 2.946 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001004488590 1267142176 /nfs/dbraw/zinc/14/21/76/1267142176.db2.gz FMSLZTCEWHOMSW-LJQANCHMSA-N 2 2 339.483 2.957 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001004488590 1267142182 /nfs/dbraw/zinc/14/21/82/1267142182.db2.gz FMSLZTCEWHOMSW-LJQANCHMSA-N 2 2 339.483 2.957 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151605 1267451920 /nfs/dbraw/zinc/45/19/20/1267451920.db2.gz KHHHNVIVYBPUCG-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151605 1267451923 /nfs/dbraw/zinc/45/19/23/1267451923.db2.gz KHHHNVIVYBPUCG-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033151605 1267451930 /nfs/dbraw/zinc/45/19/30/1267451930.db2.gz KHHHNVIVYBPUCG-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033151605 1267451933 /nfs/dbraw/zinc/45/19/33/1267451933.db2.gz KHHHNVIVYBPUCG-HOTGVXAUSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001085431073 1267454344 /nfs/dbraw/zinc/45/43/44/1267454344.db2.gz OVHDCFXQGCWMEA-IAGOWNOFSA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001085431073 1267454348 /nfs/dbraw/zinc/45/43/48/1267454348.db2.gz OVHDCFXQGCWMEA-IAGOWNOFSA-N 2 2 347.528 2.699 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675401 1267689297 /nfs/dbraw/zinc/68/92/97/1267689297.db2.gz NWWSXSCXPINWMT-CALCHBBNSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675401 1267689302 /nfs/dbraw/zinc/68/93/02/1267689302.db2.gz NWWSXSCXPINWMT-CALCHBBNSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095413592 1268042938 /nfs/dbraw/zinc/04/29/38/1268042938.db2.gz AFSQGRLPISMFPD-SQNIBIBYSA-N 2 2 338.455 2.944 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095413592 1268042952 /nfs/dbraw/zinc/04/29/52/1268042952.db2.gz AFSQGRLPISMFPD-SQNIBIBYSA-N 2 2 338.455 2.944 20 30 EFEDLP C=CCCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000740872129 1269146112 /nfs/dbraw/zinc/14/61/12/1269146112.db2.gz FJWHTRYZKLCQBX-UHFFFAOYSA-N 2 2 330.476 2.659 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033468423 1269212790 /nfs/dbraw/zinc/21/27/90/1269212790.db2.gz ZHLFBNCXTALMMU-HZPDHXFCSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033468423 1269212798 /nfs/dbraw/zinc/21/27/98/1269212798.db2.gz ZHLFBNCXTALMMU-HZPDHXFCSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554141 1269445452 /nfs/dbraw/zinc/44/54/52/1269445452.db2.gz ONBRZLBMWOQODF-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554141 1269445454 /nfs/dbraw/zinc/44/54/54/1269445454.db2.gz ONBRZLBMWOQODF-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033834887 1270305490 /nfs/dbraw/zinc/30/54/90/1270305490.db2.gz YUXAPOJRVOFVIN-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033834887 1270305496 /nfs/dbraw/zinc/30/54/96/1270305496.db2.gz YUXAPOJRVOFVIN-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855548 1270398412 /nfs/dbraw/zinc/39/84/12/1270398412.db2.gz KHMOQUALAHDYNE-IRXDYDNUSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855548 1270398422 /nfs/dbraw/zinc/39/84/22/1270398422.db2.gz KHMOQUALAHDYNE-IRXDYDNUSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855548 1270398431 /nfs/dbraw/zinc/39/84/31/1270398431.db2.gz KHMOQUALAHDYNE-IRXDYDNUSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855548 1270398440 /nfs/dbraw/zinc/39/84/40/1270398440.db2.gz KHMOQUALAHDYNE-IRXDYDNUSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033882528 1270478428 /nfs/dbraw/zinc/47/84/28/1270478428.db2.gz ZSWYSVOUEXJIAL-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033882528 1270478433 /nfs/dbraw/zinc/47/84/33/1270478433.db2.gz ZSWYSVOUEXJIAL-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033882528 1270478438 /nfs/dbraw/zinc/47/84/38/1270478438.db2.gz ZSWYSVOUEXJIAL-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033882528 1270478448 /nfs/dbraw/zinc/47/84/48/1270478448.db2.gz ZSWYSVOUEXJIAL-IRXDYDNUSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033908092 1270548323 /nfs/dbraw/zinc/54/83/23/1270548323.db2.gz MIIVQDHKECAGNZ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033908092 1270548330 /nfs/dbraw/zinc/54/83/30/1270548330.db2.gz MIIVQDHKECAGNZ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950592 1270674347 /nfs/dbraw/zinc/67/43/47/1270674347.db2.gz VSTIXUCUEZFAQB-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950592 1270674355 /nfs/dbraw/zinc/67/43/55/1270674355.db2.gz VSTIXUCUEZFAQB-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004311 1270857507 /nfs/dbraw/zinc/85/75/07/1270857507.db2.gz LURAEVFGJYXJCK-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004311 1270857519 /nfs/dbraw/zinc/85/75/19/1270857519.db2.gz LURAEVFGJYXJCK-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004312 1270857553 /nfs/dbraw/zinc/85/75/53/1270857553.db2.gz LURAEVFGJYXJCK-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004312 1270857558 /nfs/dbraw/zinc/85/75/58/1270857558.db2.gz LURAEVFGJYXJCK-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001411116797 1271347735 /nfs/dbraw/zinc/34/77/35/1271347735.db2.gz WMRLLNIEGRKVTH-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001411116797 1271347745 /nfs/dbraw/zinc/34/77/45/1271347745.db2.gz WMRLLNIEGRKVTH-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001411116797 1271347750 /nfs/dbraw/zinc/34/77/50/1271347750.db2.gz WMRLLNIEGRKVTH-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001411116797 1271347759 /nfs/dbraw/zinc/34/77/59/1271347759.db2.gz WMRLLNIEGRKVTH-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206518 1271353613 /nfs/dbraw/zinc/35/36/13/1271353613.db2.gz JYVPPIMGPGDUCE-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206518 1271353622 /nfs/dbraw/zinc/35/36/22/1271353622.db2.gz JYVPPIMGPGDUCE-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310095 1271627925 /nfs/dbraw/zinc/62/79/25/1271627925.db2.gz TXGDVAUSVBZGEU-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310095 1271627928 /nfs/dbraw/zinc/62/79/28/1271627928.db2.gz TXGDVAUSVBZGEU-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108711328 1273407135 /nfs/dbraw/zinc/40/71/35/1273407135.db2.gz FIOQTXFMDMPSGC-KSZLIROESA-N 2 2 344.503 2.862 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001108711701 1273408677 /nfs/dbraw/zinc/40/86/77/1273408677.db2.gz PCIDXBGMWORYBW-JQHSSLGASA-N 2 2 343.471 2.568 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285594 1274087959 /nfs/dbraw/zinc/08/79/59/1274087959.db2.gz OEMUIYOTWVRJOE-SQNIBIBYSA-N 2 2 338.455 2.944 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285594 1274087970 /nfs/dbraw/zinc/08/79/70/1274087970.db2.gz OEMUIYOTWVRJOE-SQNIBIBYSA-N 2 2 338.455 2.944 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433304 1274270351 /nfs/dbraw/zinc/27/03/51/1274270351.db2.gz INYQYIPRPGUPDA-OWSLCNJRSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccn3c(C)c[nH+]c3c1)CC2 ZINC001035705200 1274383332 /nfs/dbraw/zinc/38/33/32/1274383332.db2.gz YHPCFCYMMXTFAI-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035725271 1274413053 /nfs/dbraw/zinc/41/30/53/1274413053.db2.gz LMZNVJSPIDOYKZ-INIZCTEOSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035725271 1274413060 /nfs/dbraw/zinc/41/30/60/1274413060.db2.gz LMZNVJSPIDOYKZ-INIZCTEOSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035730573 1274419484 /nfs/dbraw/zinc/41/94/84/1274419484.db2.gz QUOSBQHPLZYOKI-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035807228 1274535965 /nfs/dbraw/zinc/53/59/65/1274535965.db2.gz HYKMJXRVBDTELU-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035859209 1274613205 /nfs/dbraw/zinc/61/32/05/1274613205.db2.gz SFOBZNSGJHSIRR-IYBDPMFKSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035859209 1274613212 /nfs/dbraw/zinc/61/32/12/1274613212.db2.gz SFOBZNSGJHSIRR-IYBDPMFKSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001036102767 1275097302 /nfs/dbraw/zinc/09/73/02/1275097302.db2.gz AJLJRIBQHAUDIF-TZMCWYRMSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563285 1275187654 /nfs/dbraw/zinc/18/76/54/1275187654.db2.gz OOSVKDYMBHJDMK-JXFKEZNVSA-N 2 2 344.503 2.872 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995023 1276436395 /nfs/dbraw/zinc/43/63/95/1276436395.db2.gz OZUUTUWBISKNJJ-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000818077235 1276455557 /nfs/dbraw/zinc/45/55/57/1276455557.db2.gz GQSFPECODUVWHF-CYBMUJFWSA-N 2 2 330.259 2.969 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170896461 1276502062 /nfs/dbraw/zinc/50/20/62/1276502062.db2.gz XAVCMGRDDZNWGY-QGZVFWFLSA-N 2 2 346.519 2.993 20 30 EFEDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092107 1276603342 /nfs/dbraw/zinc/60/33/42/1276603342.db2.gz RJQQATVWNBJMFP-KRWDZBQOSA-N 2 2 341.480 2.831 20 30 EFEDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000819092107 1276603353 /nfs/dbraw/zinc/60/33/53/1276603353.db2.gz RJQQATVWNBJMFP-KRWDZBQOSA-N 2 2 341.480 2.831 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073060 1276619942 /nfs/dbraw/zinc/61/99/42/1276619942.db2.gz AUIJCVKVUIMDCG-VQTJNVASSA-N 2 2 325.456 2.781 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073060 1276619948 /nfs/dbraw/zinc/61/99/48/1276619948.db2.gz AUIJCVKVUIMDCG-VQTJNVASSA-N 2 2 325.456 2.781 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005982170 1277243369 /nfs/dbraw/zinc/24/33/69/1277243369.db2.gz XQNDSJKLERSUIH-INIZCTEOSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001113546629 1278038744 /nfs/dbraw/zinc/03/87/44/1278038744.db2.gz CGPXNNISLACEBE-UHFFFAOYSA-N 2 2 330.476 2.652 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175227743 1287362617 /nfs/dbraw/zinc/36/26/17/1287362617.db2.gz UEFLUHTVQKENEX-ZIAGYGMSSA-N 2 2 338.883 2.847 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001171211589 1280023221 /nfs/dbraw/zinc/02/32/21/1280023221.db2.gz FKDCPQGGLQVQOI-WTNAPCKOSA-N 2 2 346.478 2.948 20 30 EFEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001091309474 1280334508 /nfs/dbraw/zinc/33/45/08/1280334508.db2.gz LHFXEGYITWPLEY-UHFFFAOYSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503401 1287454363 /nfs/dbraw/zinc/45/43/63/1287454363.db2.gz OUNJMIQNTXVRRN-CABCVRRESA-N 2 2 326.872 2.851 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767964 1281255106 /nfs/dbraw/zinc/25/51/06/1281255106.db2.gz VECCNYOTYGWWTO-GOSISDBHSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767964 1281255111 /nfs/dbraw/zinc/25/51/11/1281255111.db2.gz VECCNYOTYGWWTO-GOSISDBHSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175631304 1287495364 /nfs/dbraw/zinc/49/53/64/1287495364.db2.gz YGLBOAKZFGLTGK-OCCSQVGLSA-N 2 2 326.872 2.605 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175631304 1287495366 /nfs/dbraw/zinc/49/53/66/1287495366.db2.gz YGLBOAKZFGLTGK-OCCSQVGLSA-N 2 2 326.872 2.605 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148605931 1281650054 /nfs/dbraw/zinc/65/00/54/1281650054.db2.gz XUQUUAQRJIPFRH-UHFFFAOYSA-N 2 2 344.503 2.968 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148605931 1281650067 /nfs/dbraw/zinc/65/00/67/1281650067.db2.gz XUQUUAQRJIPFRH-UHFFFAOYSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920386 1281929636 /nfs/dbraw/zinc/92/96/36/1281929636.db2.gz NMLVMZQSYKYDFY-INIZCTEOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920585 1281930081 /nfs/dbraw/zinc/93/00/81/1281930081.db2.gz UBOHUOCUFRPAMW-MRXNPFEDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920387 1281930638 /nfs/dbraw/zinc/93/06/38/1281930638.db2.gz NMLVMZQSYKYDFY-MRXNPFEDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001086942095 1281971522 /nfs/dbraw/zinc/97/15/22/1281971522.db2.gz ITAHMLIOHPLWSF-JKSUJKDBSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001086942093 1281972738 /nfs/dbraw/zinc/97/27/38/1281972738.db2.gz ITAHMLIOHPLWSF-HOTGVXAUSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001086932642 1282004884 /nfs/dbraw/zinc/00/48/84/1282004884.db2.gz PXLLTCJYESRHAH-INIZCTEOSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934637 1282009187 /nfs/dbraw/zinc/00/91/87/1282009187.db2.gz VZRUXMVHJJVZFH-QGZVFWFLSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748996 1283396233 /nfs/dbraw/zinc/39/62/33/1283396233.db2.gz PDBGGFFWIOBGIS-QZTJIDSGSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748996 1283396237 /nfs/dbraw/zinc/39/62/37/1283396237.db2.gz PDBGGFFWIOBGIS-QZTJIDSGSA-N 2 2 344.503 2.816 20 30 EFEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993116 1287639089 /nfs/dbraw/zinc/63/90/89/1287639089.db2.gz JAICPASHTXSOTL-KRWDZBQOSA-N 2 2 338.455 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771602 1283547213 /nfs/dbraw/zinc/54/72/13/1283547213.db2.gz JWMJZRLYRWVQGP-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771602 1283547219 /nfs/dbraw/zinc/54/72/19/1283547219.db2.gz JWMJZRLYRWVQGP-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782402 1283629810 /nfs/dbraw/zinc/62/98/10/1283629810.db2.gz JBDQGMNRUKHWBT-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC001036782402 1283629823 /nfs/dbraw/zinc/62/98/23/1283629823.db2.gz JBDQGMNRUKHWBT-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171407884 1283763805 /nfs/dbraw/zinc/76/38/05/1283763805.db2.gz FSLPEAWBLZGJPR-ZWKOTPCHSA-N 2 2 332.492 2.758 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132508001 1283794329 /nfs/dbraw/zinc/79/43/29/1283794329.db2.gz BDEAICBPVLAIEQ-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132508001 1283794337 /nfs/dbraw/zinc/79/43/37/1283794337.db2.gz BDEAICBPVLAIEQ-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508002 1283795986 /nfs/dbraw/zinc/79/59/86/1283795986.db2.gz BDEAICBPVLAIEQ-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508002 1283795994 /nfs/dbraw/zinc/79/59/94/1283795994.db2.gz BDEAICBPVLAIEQ-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001093382673 1283852866 /nfs/dbraw/zinc/85/28/66/1283852866.db2.gz CSLDWHGZEGFOHD-IBGZPJMESA-N 2 2 342.487 2.540 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001093382673 1283852875 /nfs/dbraw/zinc/85/28/75/1283852875.db2.gz CSLDWHGZEGFOHD-IBGZPJMESA-N 2 2 342.487 2.540 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132825355 1284337467 /nfs/dbraw/zinc/33/74/67/1284337467.db2.gz YNPYTZKQCLCPRU-QAPCUYQASA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869571 1284424484 /nfs/dbraw/zinc/42/44/84/1284424484.db2.gz HDVAFCOKKSJBKY-CVEARBPZSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869571 1284424488 /nfs/dbraw/zinc/42/44/88/1284424488.db2.gz HDVAFCOKKSJBKY-CVEARBPZSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132981983 1284567382 /nfs/dbraw/zinc/56/73/82/1284567382.db2.gz IWYLTQNRWMEULH-CVEARBPZSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132982174 1284568127 /nfs/dbraw/zinc/56/81/27/1284568127.db2.gz MIJXKKDNSMVAIE-JKSUJKDBSA-N 2 2 326.444 2.598 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132983395 1284570357 /nfs/dbraw/zinc/57/03/57/1284570357.db2.gz ZADVLKYPYJTEJL-DZGCQCFKSA-N 2 2 346.862 2.775 20 30 EFEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133001726 1284589625 /nfs/dbraw/zinc/58/96/25/1284589625.db2.gz FUYQKBBQGUYRGZ-RDTXWAMCSA-N 2 2 327.472 2.718 20 30 EFEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001132991998 1284602577 /nfs/dbraw/zinc/60/25/77/1284602577.db2.gz BJQNTDRVCAEXFN-KDOFPFPSSA-N 2 2 327.472 2.718 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135711 1284850444 /nfs/dbraw/zinc/85/04/44/1284850444.db2.gz VTOVGLFIPGSHMU-IRXDYDNUSA-N 2 2 334.508 2.997 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133241798 1285037699 /nfs/dbraw/zinc/03/76/99/1285037699.db2.gz KYIFEAGCKHDRNB-HZPDHXFCSA-N 2 2 332.492 2.728 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363223 1285265255 /nfs/dbraw/zinc/26/52/55/1285265255.db2.gz FSJYAXCXCDPUCO-ZWKOTPCHSA-N 2 2 332.492 2.704 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2cccc(F)c2)cc1 ZINC000747838655 1285650185 /nfs/dbraw/zinc/65/01/85/1285650185.db2.gz GHSLFVFZEMFHRN-UHFFFAOYSA-N 2 2 331.391 2.603 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576550 1285655960 /nfs/dbraw/zinc/65/59/60/1285655960.db2.gz BKQPMKHDDRJXCG-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171603564 1285671349 /nfs/dbraw/zinc/67/13/49/1285671349.db2.gz BJRPHHPHFAKUMJ-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171604173 1285672575 /nfs/dbraw/zinc/67/25/75/1285672575.db2.gz HHRFLIAAONOBPJ-IAGOWNOFSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784254 1285803538 /nfs/dbraw/zinc/80/35/38/1285803538.db2.gz LSNDFJWZQNOMEA-CQSZACIVSA-N 2 2 334.851 2.965 20 30 EFEDLP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860375 1285862333 /nfs/dbraw/zinc/86/23/33/1285862333.db2.gz OHYAEXWYFGUTDC-MRXNPFEDSA-N 2 2 345.487 2.535 20 30 EFEDLP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860374 1285863008 /nfs/dbraw/zinc/86/30/08/1285863008.db2.gz OHYAEXWYFGUTDC-INIZCTEOSA-N 2 2 345.487 2.535 20 30 EFEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171941966 1285938479 /nfs/dbraw/zinc/93/84/79/1285938479.db2.gz FCHGWEITMIRVAL-QGZVFWFLSA-N 2 2 338.455 2.774 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172303643 1286090461 /nfs/dbraw/zinc/09/04/61/1286090461.db2.gz FVPINLSRVVBMNR-OAHLLOKOSA-N 2 2 347.422 2.780 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172303643 1286090464 /nfs/dbraw/zinc/09/04/64/1286090464.db2.gz FVPINLSRVVBMNR-OAHLLOKOSA-N 2 2 347.422 2.780 20 30 EFEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001094970468 1286323824 /nfs/dbraw/zinc/32/38/24/1286323824.db2.gz XWMYVVPYUFKPEQ-IEZWGBDMSA-N 2 2 336.439 2.641 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(CC#N)CC4)C[C@@H]3C2)cn1 ZINC001173332987 1286528989 /nfs/dbraw/zinc/52/89/89/1286528989.db2.gz IVZZPTAQMIBHIQ-BUGOSIMFSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(CC#N)CC4)C[C@@H]3C2)cn1 ZINC001173332987 1286528996 /nfs/dbraw/zinc/52/89/96/1286528996.db2.gz IVZZPTAQMIBHIQ-BUGOSIMFSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(CC#N)CC4)C[C@@H]3C2)cn1 ZINC001173332987 1286529004 /nfs/dbraw/zinc/52/90/04/1286529004.db2.gz IVZZPTAQMIBHIQ-BUGOSIMFSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(CC#N)CC4)C[C@@H]3C2)cn1 ZINC001173332987 1286529011 /nfs/dbraw/zinc/52/90/11/1286529011.db2.gz IVZZPTAQMIBHIQ-BUGOSIMFSA-N 2 2 341.503 2.646 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134404313 1286662431 /nfs/dbraw/zinc/66/24/31/1286662431.db2.gz ZJDHHVHTSQBWAW-HZPDHXFCSA-N 2 2 332.492 2.601 20 30 EFEDLP CC1(C#N)CCC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173595860 1286709744 /nfs/dbraw/zinc/70/97/44/1286709744.db2.gz ZMYKVWIQJQZRLT-UHFFFAOYSA-N 2 2 325.416 2.750 20 30 EFEDLP CC1(C#N)CCC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173595860 1286709751 /nfs/dbraw/zinc/70/97/51/1286709751.db2.gz ZMYKVWIQJQZRLT-UHFFFAOYSA-N 2 2 325.416 2.750 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134744120 1287139350 /nfs/dbraw/zinc/13/93/50/1287139350.db2.gz JDVMLRKDXZBJPT-QWHCGFSZSA-N 2 2 326.872 2.552 20 30 EFEDLP CCCCCCC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135312640 1287940472 /nfs/dbraw/zinc/94/04/72/1287940472.db2.gz BDNARFNNVDFKKP-UHFFFAOYSA-N 2 2 330.476 2.861 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769333 1288126631 /nfs/dbraw/zinc/12/66/31/1288126631.db2.gz JWDZZPVPYFKNOP-SJLPKXTDSA-N 2 2 332.492 2.525 20 30 EFEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680408 1288252885 /nfs/dbraw/zinc/25/28/85/1288252885.db2.gz VMTYCIOYFBHOCK-HZPDHXFCSA-N 2 2 328.460 2.634 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177345149 1288402348 /nfs/dbraw/zinc/40/23/48/1288402348.db2.gz QOOUDCDXXUNUNF-IAGOWNOFSA-N 2 2 330.476 2.698 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177345149 1288402351 /nfs/dbraw/zinc/40/23/51/1288402351.db2.gz QOOUDCDXXUNUNF-IAGOWNOFSA-N 2 2 330.476 2.698 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431440 1288437225 /nfs/dbraw/zinc/43/72/25/1288437225.db2.gz ZOOFAEIKMGLSFP-GOSISDBHSA-N 2 2 344.503 2.856 20 30 EFEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177493150 1288448967 /nfs/dbraw/zinc/44/89/67/1288448967.db2.gz QJVIPHRRJRMYDK-UHFFFAOYSA-N 2 2 332.492 2.848 20 30 EFEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135841249 1288473260 /nfs/dbraw/zinc/47/32/60/1288473260.db2.gz XYVWPHNBNCQJQH-HOTGVXAUSA-N 2 2 326.444 2.935 20 30 EFEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001178506385 1288803395 /nfs/dbraw/zinc/80/33/95/1288803395.db2.gz SATQMNRMDUDGBK-QZTJIDSGSA-N 2 2 344.503 2.606 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178536553 1288808382 /nfs/dbraw/zinc/80/83/82/1288808382.db2.gz ZZXQLHVAXKKTGB-UHFFFAOYSA-N 2 2 332.492 2.604 20 30 EFEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001178773762 1288924199 /nfs/dbraw/zinc/92/41/99/1288924199.db2.gz HCTGKZFCGUTMSY-GOSISDBHSA-N 2 2 332.492 2.760 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178977652 1288988930 /nfs/dbraw/zinc/98/89/30/1288988930.db2.gz BDXFFINNGRYDNR-WMZOPIPTSA-N 2 2 345.487 2.958 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165837468 1312690573 /nfs/dbraw/zinc/69/05/73/1312690573.db2.gz VNCREEMGASSRFF-MRXNPFEDSA-N 2 2 344.503 2.665 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165837468 1312690576 /nfs/dbraw/zinc/69/05/76/1312690576.db2.gz VNCREEMGASSRFF-MRXNPFEDSA-N 2 2 344.503 2.665 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630989 1289213631 /nfs/dbraw/zinc/21/36/31/1289213631.db2.gz XWILEEXXGDYWEN-IAGOWNOFSA-N 2 2 332.492 2.756 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630527 1289213874 /nfs/dbraw/zinc/21/38/74/1289213874.db2.gz REPVTBNOFCOJAA-HUUCEWRRSA-N 2 2 338.883 2.542 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630999 1289213999 /nfs/dbraw/zinc/21/39/99/1289213999.db2.gz YILYZDRQAJFGSW-IAGOWNOFSA-N 2 2 332.492 2.756 20 30 EFEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001181468093 1289800772 /nfs/dbraw/zinc/80/07/72/1289800772.db2.gz OXQASRVDRGVTDO-FOIQADDNSA-N 2 2 340.471 2.907 20 30 EFEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820831 1289961496 /nfs/dbraw/zinc/96/14/96/1289961496.db2.gz VEFUZMNGWREHJA-QWFCFKBJSA-N 2 2 344.503 2.568 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181884954 1289990429 /nfs/dbraw/zinc/99/04/29/1289990429.db2.gz NAUOVIDSLUCKDS-OXQOHEQNSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767785 1290251364 /nfs/dbraw/zinc/25/13/64/1290251364.db2.gz LFIFRMUKAIBNDR-ZIFCJYIRSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399861 1290455134 /nfs/dbraw/zinc/45/51/34/1290455134.db2.gz OYTGIMKUTAWRQG-YJBOKZPZSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184400033 1290455852 /nfs/dbraw/zinc/45/58/52/1290455852.db2.gz RGBGIUABZMSJPC-YOEHRIQHSA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184652166 1290488871 /nfs/dbraw/zinc/48/88/71/1290488871.db2.gz LHDUFZKFOSCULF-SJLPKXTDSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185382288 1290663149 /nfs/dbraw/zinc/66/31/49/1290663149.db2.gz YKGLZIUJTQLBIY-SJORKVTESA-N 2 2 332.492 2.773 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185490762 1290704551 /nfs/dbraw/zinc/70/45/51/1290704551.db2.gz BXPHUHRJTWKWKC-HZPDHXFCSA-N 2 2 332.492 2.728 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586152 1290721467 /nfs/dbraw/zinc/72/14/67/1290721467.db2.gz FJWBGQRIXMZYCB-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001233082317 1312851959 /nfs/dbraw/zinc/85/19/59/1312851959.db2.gz HSICNAATRSKPKM-UHFFFAOYSA-N 2 2 327.472 2.942 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001233082317 1312851963 /nfs/dbraw/zinc/85/19/63/1312851963.db2.gz HSICNAATRSKPKM-UHFFFAOYSA-N 2 2 327.472 2.942 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795793970 1291450505 /nfs/dbraw/zinc/45/05/05/1291450505.db2.gz KWQCGMADYMIMPM-BJLQDIEVSA-N 2 2 325.456 2.779 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795793970 1291450510 /nfs/dbraw/zinc/45/05/10/1291450510.db2.gz KWQCGMADYMIMPM-BJLQDIEVSA-N 2 2 325.456 2.779 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016625213 1312888363 /nfs/dbraw/zinc/88/83/63/1312888363.db2.gz MPIKGIHTNMWXAL-KRWDZBQOSA-N 2 2 338.455 2.803 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819598 1292327925 /nfs/dbraw/zinc/32/79/25/1292327925.db2.gz YZYFPNTXKRIXNL-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819598 1292327933 /nfs/dbraw/zinc/32/79/33/1292327933.db2.gz YZYFPNTXKRIXNL-MSOLQXFVSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879705 1292362457 /nfs/dbraw/zinc/36/24/57/1292362457.db2.gz VHFDZKRWXLAOES-GOSISDBHSA-N 2 2 345.487 2.912 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879705 1292362470 /nfs/dbraw/zinc/36/24/70/1292362470.db2.gz VHFDZKRWXLAOES-GOSISDBHSA-N 2 2 345.487 2.912 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989230 1292416365 /nfs/dbraw/zinc/41/63/65/1292416365.db2.gz MVRIHKWFBMJWOL-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989230 1292416370 /nfs/dbraw/zinc/41/63/70/1292416370.db2.gz MVRIHKWFBMJWOL-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP N#CC1(CC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCCCC1 ZINC000880252603 1292425864 /nfs/dbraw/zinc/42/58/64/1292425864.db2.gz ATJGFTHPALUKDF-UHFFFAOYSA-N 2 2 346.519 2.656 20 30 EFEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203563702 1312957021 /nfs/dbraw/zinc/95/70/21/1312957021.db2.gz RGJYVDRXSPVDRR-OALUTQOASA-N 2 2 348.450 2.526 20 30 EFEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203564174 1312957637 /nfs/dbraw/zinc/95/76/37/1312957637.db2.gz UDMOKVNKGXXHDG-RBUKOAKNSA-N 2 2 348.450 2.526 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524824 1312966367 /nfs/dbraw/zinc/96/63/67/1312966367.db2.gz BMJWRZNUQWJNIZ-LMSBXDPUSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524824 1312966371 /nfs/dbraw/zinc/96/63/71/1312966371.db2.gz BMJWRZNUQWJNIZ-LMSBXDPUSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524824 1312966376 /nfs/dbraw/zinc/96/63/76/1312966376.db2.gz BMJWRZNUQWJNIZ-LMSBXDPUSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524824 1312966378 /nfs/dbraw/zinc/96/63/78/1312966378.db2.gz BMJWRZNUQWJNIZ-LMSBXDPUSA-N 2 2 328.460 2.545 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605338 1312968846 /nfs/dbraw/zinc/96/88/46/1312968846.db2.gz KKVAODZTEFAALC-ROUUACIJSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780108 1293036309 /nfs/dbraw/zinc/03/63/09/1293036309.db2.gz ZPLJDNKVKAYHOO-FUHWJXTLSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780108 1293036319 /nfs/dbraw/zinc/03/63/19/1293036319.db2.gz ZPLJDNKVKAYHOO-FUHWJXTLSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780108 1293036331 /nfs/dbraw/zinc/03/63/31/1293036331.db2.gz ZPLJDNKVKAYHOO-FUHWJXTLSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780108 1293036342 /nfs/dbraw/zinc/03/63/42/1293036342.db2.gz ZPLJDNKVKAYHOO-FUHWJXTLSA-N 2 2 332.492 2.867 20 30 EFEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000775571474 1293178649 /nfs/dbraw/zinc/17/86/49/1293178649.db2.gz HOMUIDGFFAMDBV-WOJBJXKFSA-N 2 2 330.447 2.603 20 30 EFEDLP C#C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000775571473 1293178951 /nfs/dbraw/zinc/17/89/51/1293178951.db2.gz HOMUIDGFFAMDBV-VQTJNVASSA-N 2 2 330.447 2.603 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544832 1312991675 /nfs/dbraw/zinc/99/16/75/1312991675.db2.gz GPJMGZHNPHUDNW-QZTJIDSGSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544832 1312991676 /nfs/dbraw/zinc/99/16/76/1312991676.db2.gz GPJMGZHNPHUDNW-QZTJIDSGSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786056 1293429650 /nfs/dbraw/zinc/42/96/50/1293429650.db2.gz DFPYFFRAJWYBKF-SFHVURJKSA-N 2 2 332.492 2.632 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786056 1293429657 /nfs/dbraw/zinc/42/96/57/1293429657.db2.gz DFPYFFRAJWYBKF-SFHVURJKSA-N 2 2 332.492 2.632 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000883131482 1293473710 /nfs/dbraw/zinc/47/37/10/1293473710.db2.gz DLURBIJLMHQJHX-UHFFFAOYSA-N 2 2 333.867 2.710 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000883131482 1293473711 /nfs/dbraw/zinc/47/37/11/1293473711.db2.gz DLURBIJLMHQJHX-UHFFFAOYSA-N 2 2 333.867 2.710 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449122 1293627288 /nfs/dbraw/zinc/62/72/88/1293627288.db2.gz PLNPPMHLMZFSTC-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449122 1293627293 /nfs/dbraw/zinc/62/72/93/1293627293.db2.gz PLNPPMHLMZFSTC-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=CCCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001203861682 1313035101 /nfs/dbraw/zinc/03/51/01/1313035101.db2.gz QBSPNCLROCNTFX-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCC[NH2+]C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001203861682 1313035104 /nfs/dbraw/zinc/03/51/04/1313035104.db2.gz QBSPNCLROCNTFX-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196332245 1294200342 /nfs/dbraw/zinc/20/03/42/1294200342.db2.gz KAEUSXGXZASQQN-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196332245 1294200349 /nfs/dbraw/zinc/20/03/49/1294200349.db2.gz KAEUSXGXZASQQN-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396896 1294529753 /nfs/dbraw/zinc/52/97/53/1294529753.db2.gz SQBQHBRNZFNQOR-QGZVFWFLSA-N 2 2 332.492 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001197396896 1294529757 /nfs/dbraw/zinc/52/97/57/1294529757.db2.gz SQBQHBRNZFNQOR-QGZVFWFLSA-N 2 2 332.492 2.869 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396896 1294529761 /nfs/dbraw/zinc/52/97/61/1294529761.db2.gz SQBQHBRNZFNQOR-QGZVFWFLSA-N 2 2 332.492 2.869 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001197396896 1294529768 /nfs/dbraw/zinc/52/97/68/1294529768.db2.gz SQBQHBRNZFNQOR-QGZVFWFLSA-N 2 2 332.492 2.869 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197818151 1294748859 /nfs/dbraw/zinc/74/88/59/1294748859.db2.gz XLLGTFHFHYVVEZ-UHFFFAOYSA-N 2 2 332.492 2.968 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197818151 1294748866 /nfs/dbraw/zinc/74/88/66/1294748866.db2.gz XLLGTFHFHYVVEZ-UHFFFAOYSA-N 2 2 332.492 2.968 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626669 1313106189 /nfs/dbraw/zinc/10/61/89/1313106189.db2.gz NAWDRFBZSQEJOL-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626669 1313106193 /nfs/dbraw/zinc/10/61/93/1313106193.db2.gz NAWDRFBZSQEJOL-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCC(C)(C)S)cc1 ZINC001198037209 1294859150 /nfs/dbraw/zinc/85/91/50/1294859150.db2.gz VMDRLKQGJQWDOM-UHFFFAOYSA-N 2 2 337.533 2.508 20 30 EFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCC(C)(C)S)cc1 ZINC001198037209 1294859165 /nfs/dbraw/zinc/85/91/65/1294859165.db2.gz VMDRLKQGJQWDOM-UHFFFAOYSA-N 2 2 337.533 2.508 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633408 1313114956 /nfs/dbraw/zinc/11/49/56/1313114956.db2.gz BGSKGFFGGUUVFC-JKSUJKDBSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633408 1313114957 /nfs/dbraw/zinc/11/49/57/1313114957.db2.gz BGSKGFFGGUUVFC-JKSUJKDBSA-N 2 2 339.911 2.679 20 30 EFEDLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH+]c1C ZINC000886670377 1295100169 /nfs/dbraw/zinc/10/01/69/1295100169.db2.gz NVHBOYWAIYGIDU-KXBFYZLASA-N 2 2 345.491 2.649 20 30 EFEDLP COc1cccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000304753784 1295751317 /nfs/dbraw/zinc/75/13/17/1295751317.db2.gz YODOADGUBPFXTG-UHFFFAOYSA-N 2 2 330.407 2.693 20 30 EFEDLP COc1cccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000304753784 1295751325 /nfs/dbraw/zinc/75/13/25/1295751325.db2.gz YODOADGUBPFXTG-UHFFFAOYSA-N 2 2 330.407 2.693 20 30 EFEDLP C=C(C)[C@@H]1CC=C(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)CC1 ZINC001276477503 1313206871 /nfs/dbraw/zinc/20/68/71/1313206871.db2.gz LPBMGAOGTIUSBR-LJQANCHMSA-N 2 2 326.488 2.803 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716180 1313214039 /nfs/dbraw/zinc/21/40/39/1313214039.db2.gz BMVXNHPVGMXHQK-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716180 1313214043 /nfs/dbraw/zinc/21/40/43/1313214043.db2.gz BMVXNHPVGMXHQK-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716180 1313214046 /nfs/dbraw/zinc/21/40/46/1313214046.db2.gz BMVXNHPVGMXHQK-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716180 1313214048 /nfs/dbraw/zinc/21/40/48/1313214048.db2.gz BMVXNHPVGMXHQK-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716181 1313214774 /nfs/dbraw/zinc/21/47/74/1313214774.db2.gz BMVXNHPVGMXHQK-HOTGVXAUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716181 1313214778 /nfs/dbraw/zinc/21/47/78/1313214778.db2.gz BMVXNHPVGMXHQK-HOTGVXAUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716181 1313214782 /nfs/dbraw/zinc/21/47/82/1313214782.db2.gz BMVXNHPVGMXHQK-HOTGVXAUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716181 1313214786 /nfs/dbraw/zinc/21/47/86/1313214786.db2.gz BMVXNHPVGMXHQK-HOTGVXAUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205552755 1313311313 /nfs/dbraw/zinc/31/13/13/1313311313.db2.gz KOLVGEDLCPPXPM-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205555620 1313311593 /nfs/dbraw/zinc/31/15/93/1313311593.db2.gz BOCADCZZKCYPDY-QGZVFWFLSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205555620 1313311597 /nfs/dbraw/zinc/31/15/97/1313311597.db2.gz BOCADCZZKCYPDY-QGZVFWFLSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205680014 1313336869 /nfs/dbraw/zinc/33/68/69/1313336869.db2.gz WPSNXCYILYUTNP-UHFFFAOYSA-N 2 2 326.444 2.742 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819283 1313340250 /nfs/dbraw/zinc/34/02/50/1313340250.db2.gz DQTUZDHCQKXMLV-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819283 1313340253 /nfs/dbraw/zinc/34/02/53/1313340253.db2.gz DQTUZDHCQKXMLV-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821396 1313343139 /nfs/dbraw/zinc/34/31/39/1313343139.db2.gz XMPUDURCRWAUFP-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821396 1313343144 /nfs/dbraw/zinc/34/31/44/1313343144.db2.gz XMPUDURCRWAUFP-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632337 1313363237 /nfs/dbraw/zinc/36/32/37/1313363237.db2.gz GLSONKHQEXQFQC-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632337 1313363240 /nfs/dbraw/zinc/36/32/40/1313363240.db2.gz GLSONKHQEXQFQC-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCOc1cccc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235822730 1313405085 /nfs/dbraw/zinc/40/50/85/1313405085.db2.gz RCOBHDLAMIMRQD-UHFFFAOYSA-N 2 2 329.488 2.511 20 30 EFEDLP C#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000190639432 1298204093 /nfs/dbraw/zinc/20/40/93/1298204093.db2.gz SNMXZZMOMWOBFM-MOPGFXCFSA-N 2 2 333.520 2.586 20 30 EFEDLP C#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000190639432 1298204106 /nfs/dbraw/zinc/20/41/06/1298204106.db2.gz SNMXZZMOMWOBFM-MOPGFXCFSA-N 2 2 333.520 2.586 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000961210392 1298331980 /nfs/dbraw/zinc/33/19/80/1298331980.db2.gz JZCVXZBKNSSXPF-IRXDYDNUSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000961210392 1298331993 /nfs/dbraw/zinc/33/19/93/1298331993.db2.gz JZCVXZBKNSSXPF-IRXDYDNUSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961222037 1298356016 /nfs/dbraw/zinc/35/60/16/1298356016.db2.gz WPIRLBUIOIRBST-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961222037 1298356028 /nfs/dbraw/zinc/35/60/28/1298356028.db2.gz WPIRLBUIOIRBST-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609126 1313518729 /nfs/dbraw/zinc/51/87/29/1313518729.db2.gz JGPZVZUMEDKSAW-NJAFHUGGSA-N 2 2 347.890 2.836 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609126 1313518733 /nfs/dbraw/zinc/51/87/33/1313518733.db2.gz JGPZVZUMEDKSAW-NJAFHUGGSA-N 2 2 347.890 2.836 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390230 1298674813 /nfs/dbraw/zinc/67/48/13/1298674813.db2.gz AMAYHMUOVCNGTK-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961390230 1298674828 /nfs/dbraw/zinc/67/48/28/1298674828.db2.gz AMAYHMUOVCNGTK-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001206949217 1313567183 /nfs/dbraw/zinc/56/71/83/1313567183.db2.gz VCUYQURUPXVTJH-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001206949217 1313567186 /nfs/dbraw/zinc/56/71/86/1313567186.db2.gz VCUYQURUPXVTJH-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207000818 1313586381 /nfs/dbraw/zinc/58/63/81/1313586381.db2.gz LEXPTJVHMNXHKU-VHDGCEQUSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207000818 1313586385 /nfs/dbraw/zinc/58/63/85/1313586385.db2.gz LEXPTJVHMNXHKU-VHDGCEQUSA-N 2 2 338.883 2.586 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315726 1300583238 /nfs/dbraw/zinc/58/32/38/1300583238.db2.gz XFOPXQAHGOWMRT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315726 1300583244 /nfs/dbraw/zinc/58/32/44/1300583244.db2.gz XFOPXQAHGOWMRT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315726 1300583250 /nfs/dbraw/zinc/58/32/50/1300583250.db2.gz XFOPXQAHGOWMRT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315726 1300583257 /nfs/dbraw/zinc/58/32/57/1300583257.db2.gz XFOPXQAHGOWMRT-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325897 1300605549 /nfs/dbraw/zinc/60/55/49/1300605549.db2.gz SVXBYESHFKJLDB-ZWKOTPCHSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963325897 1300605559 /nfs/dbraw/zinc/60/55/59/1300605559.db2.gz SVXBYESHFKJLDB-ZWKOTPCHSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333261 1300621186 /nfs/dbraw/zinc/62/11/86/1300621186.db2.gz LKCGPUHGFYFCQY-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333261 1300621191 /nfs/dbraw/zinc/62/11/91/1300621191.db2.gz LKCGPUHGFYFCQY-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339306 1300639605 /nfs/dbraw/zinc/63/96/05/1300639605.db2.gz GKXIFQPAOJZEOR-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339306 1300639612 /nfs/dbraw/zinc/63/96/12/1300639612.db2.gz GKXIFQPAOJZEOR-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339495 1300639781 /nfs/dbraw/zinc/63/97/81/1300639781.db2.gz IDVZIFUDQGKVEM-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339495 1300639786 /nfs/dbraw/zinc/63/97/86/1300639786.db2.gz IDVZIFUDQGKVEM-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963341517 1300645259 /nfs/dbraw/zinc/64/52/59/1300645259.db2.gz XWIPXERHVIUXEN-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963341517 1300645268 /nfs/dbraw/zinc/64/52/68/1300645268.db2.gz XWIPXERHVIUXEN-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207602780 1313727750 /nfs/dbraw/zinc/72/77/50/1313727750.db2.gz VDNIMBDMPDQOEG-YFHUEUNASA-N 2 2 332.492 2.920 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207602780 1313727754 /nfs/dbraw/zinc/72/77/54/1313727754.db2.gz VDNIMBDMPDQOEG-YFHUEUNASA-N 2 2 332.492 2.920 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001207602780 1313727758 /nfs/dbraw/zinc/72/77/58/1313727758.db2.gz VDNIMBDMPDQOEG-YFHUEUNASA-N 2 2 332.492 2.920 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001207602780 1313727762 /nfs/dbraw/zinc/72/77/62/1313727762.db2.gz VDNIMBDMPDQOEG-YFHUEUNASA-N 2 2 332.492 2.920 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc3c[nH+]cn31)CCO2 ZINC001238102485 1313760142 /nfs/dbraw/zinc/76/01/42/1313760142.db2.gz ACURTTKLOUYOAT-YLJYHZDGSA-N 2 2 341.455 2.908 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cccc3c[nH+]cn31)CCO2 ZINC001238102485 1313760145 /nfs/dbraw/zinc/76/01/45/1313760145.db2.gz ACURTTKLOUYOAT-YLJYHZDGSA-N 2 2 341.455 2.908 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734217 1313760981 /nfs/dbraw/zinc/76/09/81/1313760981.db2.gz PWAXNJQMYWAESS-ZIFCJYIRSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734217 1313760984 /nfs/dbraw/zinc/76/09/84/1313760984.db2.gz PWAXNJQMYWAESS-ZIFCJYIRSA-N 2 2 346.519 2.852 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790423 1313775631 /nfs/dbraw/zinc/77/56/31/1313775631.db2.gz STDQSAVCRHGCBH-CRAIPNDOSA-N 2 2 348.491 2.533 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790423 1313775635 /nfs/dbraw/zinc/77/56/35/1313775635.db2.gz STDQSAVCRHGCBH-CRAIPNDOSA-N 2 2 348.491 2.533 20 30 EFEDLP CC(=[NH+]Nc1cc[nH+]c(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863158726 1302542564 /nfs/dbraw/zinc/54/25/64/1302542564.db2.gz NQBKUVHPQTXELB-UHFFFAOYSA-N 2 2 328.391 2.624 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097220700 1313915720 /nfs/dbraw/zinc/91/57/20/1313915720.db2.gz ZDKRUZAWUKQBTF-VQHPVUNQSA-N 2 2 339.911 2.723 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220700 1313915721 /nfs/dbraw/zinc/91/57/21/1313915721.db2.gz ZDKRUZAWUKQBTF-VQHPVUNQSA-N 2 2 339.911 2.723 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220700 1313915723 /nfs/dbraw/zinc/91/57/23/1313915723.db2.gz ZDKRUZAWUKQBTF-VQHPVUNQSA-N 2 2 339.911 2.723 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220700 1313915725 /nfs/dbraw/zinc/91/57/25/1313915725.db2.gz ZDKRUZAWUKQBTF-VQHPVUNQSA-N 2 2 339.911 2.723 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411490 1313923140 /nfs/dbraw/zinc/92/31/40/1313923140.db2.gz VSQMNDQBDABOFU-DOTOQJQBSA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435915 1313928409 /nfs/dbraw/zinc/92/84/09/1313928409.db2.gz RBIGJKDFZLTMOP-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447195 1313930662 /nfs/dbraw/zinc/93/06/62/1313930662.db2.gz KIFQIOHROFOCGK-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450936 1313932439 /nfs/dbraw/zinc/93/24/39/1313932439.db2.gz OBILEGIYLRLXDB-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001037880709 1304130154 /nfs/dbraw/zinc/13/01/54/1304130154.db2.gz LAGDNCKDPYZPJJ-HOTGVXAUSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001037884080 1304212343 /nfs/dbraw/zinc/21/23/43/1304212343.db2.gz VGWAWGKXPUILHJ-GJZGRUSLSA-N 2 2 346.862 2.917 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678416 1313992290 /nfs/dbraw/zinc/99/22/90/1313992290.db2.gz HKSYUORKKSQFOT-QGZVFWFLSA-N 2 2 334.508 2.904 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CC ZINC001037903742 1304576626 /nfs/dbraw/zinc/57/66/26/1304576626.db2.gz YAJSPLFRMZZHEN-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208722189 1314002625 /nfs/dbraw/zinc/00/26/25/1314002625.db2.gz PZUKSFAGTDMJDX-BRSBDYLESA-N 2 2 344.503 2.707 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208722189 1314002629 /nfs/dbraw/zinc/00/26/29/1314002629.db2.gz PZUKSFAGTDMJDX-BRSBDYLESA-N 2 2 344.503 2.707 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1CC ZINC001037984319 1305552181 /nfs/dbraw/zinc/55/21/81/1305552181.db2.gz QUJYMSJXZYQSMA-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1CC ZINC001037984319 1305552188 /nfs/dbraw/zinc/55/21/88/1305552188.db2.gz QUJYMSJXZYQSMA-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCN(CC[N@H+](C1CCCC1)C1CC[NH+](C)CC1)C(=O)OCC ZINC001209024487 1314072911 /nfs/dbraw/zinc/07/29/11/1314072911.db2.gz SLGKNZXWSQYHIQ-UHFFFAOYSA-N 2 2 337.508 2.970 20 30 EFEDLP C=CCN(CC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1)C(=O)OCC ZINC001209024487 1314072914 /nfs/dbraw/zinc/07/29/14/1314072914.db2.gz SLGKNZXWSQYHIQ-UHFFFAOYSA-N 2 2 337.508 2.970 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001044601817 1306649281 /nfs/dbraw/zinc/64/92/81/1306649281.db2.gz FBLKSSVNADLYGE-YOEHRIQHSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859851 1306731126 /nfs/dbraw/zinc/73/11/26/1306731126.db2.gz SAYYTTDERZYHIE-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351278 1314145325 /nfs/dbraw/zinc/14/53/25/1314145325.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351278 1314145329 /nfs/dbraw/zinc/14/53/29/1314145329.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351278 1314145333 /nfs/dbraw/zinc/14/53/33/1314145333.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351278 1314145337 /nfs/dbraw/zinc/14/53/37/1314145337.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 2 334.508 2.995 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968894078 1306769260 /nfs/dbraw/zinc/76/92/60/1306769260.db2.gz ZYNWUDRFQURMFM-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968894078 1306769263 /nfs/dbraw/zinc/76/92/63/1306769263.db2.gz ZYNWUDRFQURMFM-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968894078 1306769265 /nfs/dbraw/zinc/76/92/65/1306769265.db2.gz ZYNWUDRFQURMFM-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968894078 1306769267 /nfs/dbraw/zinc/76/92/67/1306769267.db2.gz ZYNWUDRFQURMFM-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919579 1306795291 /nfs/dbraw/zinc/79/52/91/1306795291.db2.gz GAPDCDGCNKOAEK-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919579 1306795295 /nfs/dbraw/zinc/79/52/95/1306795295.db2.gz GAPDCDGCNKOAEK-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919579 1306795284 /nfs/dbraw/zinc/79/52/84/1306795284.db2.gz GAPDCDGCNKOAEK-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919579 1306795288 /nfs/dbraw/zinc/79/52/88/1306795288.db2.gz GAPDCDGCNKOAEK-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919580 1306795518 /nfs/dbraw/zinc/79/55/18/1306795518.db2.gz GAPDCDGCNKOAEK-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919580 1306795521 /nfs/dbraw/zinc/79/55/21/1306795521.db2.gz GAPDCDGCNKOAEK-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919580 1306795522 /nfs/dbraw/zinc/79/55/22/1306795522.db2.gz GAPDCDGCNKOAEK-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919580 1306795524 /nfs/dbraw/zinc/79/55/24/1306795524.db2.gz GAPDCDGCNKOAEK-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926310 1306805652 /nfs/dbraw/zinc/80/56/52/1306805652.db2.gz ZXRHFWXTWAFKPO-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926310 1306805655 /nfs/dbraw/zinc/80/56/55/1306805655.db2.gz ZXRHFWXTWAFKPO-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926310 1306805657 /nfs/dbraw/zinc/80/56/57/1306805657.db2.gz ZXRHFWXTWAFKPO-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926310 1306805659 /nfs/dbraw/zinc/80/56/59/1306805659.db2.gz ZXRHFWXTWAFKPO-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926245 1306806418 /nfs/dbraw/zinc/80/64/18/1306806418.db2.gz YCHUIRKXYGZAKE-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926245 1306806424 /nfs/dbraw/zinc/80/64/24/1306806424.db2.gz YCHUIRKXYGZAKE-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926245 1306806427 /nfs/dbraw/zinc/80/64/27/1306806427.db2.gz YCHUIRKXYGZAKE-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926245 1306806433 /nfs/dbraw/zinc/80/64/33/1306806433.db2.gz YCHUIRKXYGZAKE-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008052696 1307787964 /nfs/dbraw/zinc/78/79/64/1307787964.db2.gz MZSCBPPCLNZRTE-QGZVFWFLSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008052696 1307787965 /nfs/dbraw/zinc/78/79/65/1307787965.db2.gz MZSCBPPCLNZRTE-QGZVFWFLSA-N 2 2 349.906 2.737 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935496 1307933643 /nfs/dbraw/zinc/93/36/43/1307933643.db2.gz NSNLFZPHYXLTRT-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935496 1307933651 /nfs/dbraw/zinc/93/36/51/1307933651.db2.gz NSNLFZPHYXLTRT-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045955151 1307991787 /nfs/dbraw/zinc/99/17/87/1307991787.db2.gz PKNZUYQCCABQAE-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045955151 1307991790 /nfs/dbraw/zinc/99/17/90/1307991790.db2.gz PKNZUYQCCABQAE-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958185 1307999228 /nfs/dbraw/zinc/99/92/28/1307999228.db2.gz LVWPNLVAPBEKGV-FQEVSTJZSA-N 2 2 344.503 2.944 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958185 1307999229 /nfs/dbraw/zinc/99/92/29/1307999229.db2.gz LVWPNLVAPBEKGV-FQEVSTJZSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045965140 1308019286 /nfs/dbraw/zinc/01/92/86/1308019286.db2.gz DVNJIGWQXPOMFU-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045965140 1308019289 /nfs/dbraw/zinc/01/92/89/1308019289.db2.gz DVNJIGWQXPOMFU-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969304 1308030842 /nfs/dbraw/zinc/03/08/42/1308030842.db2.gz NXDYFNJWXPYNJN-AZUAARDMSA-N 2 2 342.487 2.562 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969304 1308030849 /nfs/dbraw/zinc/03/08/49/1308030849.db2.gz NXDYFNJWXPYNJN-AZUAARDMSA-N 2 2 342.487 2.562 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969820 1308033641 /nfs/dbraw/zinc/03/36/41/1308033641.db2.gz ZTHPLCBNGSHJMM-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969820 1308033646 /nfs/dbraw/zinc/03/36/46/1308033646.db2.gz ZTHPLCBNGSHJMM-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975998 1308050988 /nfs/dbraw/zinc/05/09/88/1308050988.db2.gz OGCYWIDVDPNTQO-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975998 1308050994 /nfs/dbraw/zinc/05/09/94/1308050994.db2.gz OGCYWIDVDPNTQO-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982083 1308074552 /nfs/dbraw/zinc/07/45/52/1308074552.db2.gz NOAPPZQHCQPFHW-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982083 1308074555 /nfs/dbraw/zinc/07/45/55/1308074555.db2.gz NOAPPZQHCQPFHW-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433424 1308664668 /nfs/dbraw/zinc/66/46/68/1308664668.db2.gz WKKVAIISQCOJMZ-QGZVFWFLSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433424 1308664669 /nfs/dbraw/zinc/66/46/69/1308664669.db2.gz WKKVAIISQCOJMZ-QGZVFWFLSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001047248999 1310413904 /nfs/dbraw/zinc/41/39/04/1310413904.db2.gz VZRQNQYNFNDTPZ-LJQANCHMSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210900261 1314406921 /nfs/dbraw/zinc/40/69/21/1314406921.db2.gz QVBYCTIGHVBCNS-KRWDZBQOSA-N 2 2 332.492 2.680 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001223507789 1311270084 /nfs/dbraw/zinc/27/00/84/1311270084.db2.gz WHRCIZXGAONJRR-USXIJHARSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001223507789 1311270087 /nfs/dbraw/zinc/27/00/87/1311270087.db2.gz WHRCIZXGAONJRR-USXIJHARSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001223541853 1311273680 /nfs/dbraw/zinc/27/36/80/1311273680.db2.gz VSYIAZRRRQMUOH-GOSISDBHSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744579 1311379385 /nfs/dbraw/zinc/37/93/85/1311379385.db2.gz PWFVRQLULOULEU-DLBZAZTESA-N 2 2 332.492 2.630 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744579 1311379388 /nfs/dbraw/zinc/37/93/88/1311379388.db2.gz PWFVRQLULOULEU-DLBZAZTESA-N 2 2 332.492 2.630 20 30 EFEDLP C#CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001276973188 1311393107 /nfs/dbraw/zinc/39/31/07/1311393107.db2.gz LMPQVPZWNGFEMU-HGKCTWBKSA-N 2 2 336.439 2.644 20 30 EFEDLP C#CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001276973188 1311393109 /nfs/dbraw/zinc/39/31/09/1311393109.db2.gz LMPQVPZWNGFEMU-HGKCTWBKSA-N 2 2 336.439 2.644 20 30 EFEDLP C#CCCC[NH+]1CC2(C[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001276973327 1311393356 /nfs/dbraw/zinc/39/33/56/1311393356.db2.gz MVWPUDZTKHRLDI-GOSISDBHSA-N 2 2 334.423 2.546 20 30 EFEDLP C#CCCC[NH+]1CCC2(C[C@H]2C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC001276973338 1311393461 /nfs/dbraw/zinc/39/34/61/1311393461.db2.gz NBDRLPLQLLXJFM-INIZCTEOSA-N 2 2 336.439 2.788 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224600226 1311412169 /nfs/dbraw/zinc/41/21/69/1311412169.db2.gz PMJDMYOZEGVYLA-CGTJXYLNSA-N 2 2 344.503 2.707 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224797289 1311436641 /nfs/dbraw/zinc/43/66/41/1311436641.db2.gz WRJKGCVJJFJPOY-HZPDHXFCSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224797289 1311436642 /nfs/dbraw/zinc/43/66/42/1311436642.db2.gz WRJKGCVJJFJPOY-HZPDHXFCSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224797287 1311436688 /nfs/dbraw/zinc/43/66/88/1311436688.db2.gz WRJKGCVJJFJPOY-HOTGVXAUSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224797287 1311436690 /nfs/dbraw/zinc/43/66/90/1311436690.db2.gz WRJKGCVJJFJPOY-HOTGVXAUSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225310824 1311505801 /nfs/dbraw/zinc/50/58/01/1311505801.db2.gz YBARAARUMPNPGJ-MRXNPFEDSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(OC)c2ccccc2[nH+]1 ZINC001159925901 1311611076 /nfs/dbraw/zinc/61/10/76/1311611076.db2.gz YUXKOBZNQNKGJM-HNNXBMFYSA-N 2 2 343.427 2.882 20 30 EFEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203194023 1311659098 /nfs/dbraw/zinc/65/90/98/1311659098.db2.gz YIKIPSBENICTPZ-IRXDYDNUSA-N 2 2 325.456 2.661 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529332 1311729837 /nfs/dbraw/zinc/72/98/37/1311729837.db2.gz HHHMQJDZAQZKBR-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529332 1311729838 /nfs/dbraw/zinc/72/98/38/1311729838.db2.gz HHHMQJDZAQZKBR-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529330 1311730087 /nfs/dbraw/zinc/73/00/87/1311730087.db2.gz HHHMQJDZAQZKBR-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529330 1311730090 /nfs/dbraw/zinc/73/00/90/1311730090.db2.gz HHHMQJDZAQZKBR-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226965211 1311747168 /nfs/dbraw/zinc/74/71/68/1311747168.db2.gz QRLYQVXLOAWXHR-KURKYZTESA-N 2 2 330.476 2.511 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821215 1311789702 /nfs/dbraw/zinc/78/97/02/1311789702.db2.gz CYUYYFQLQBFZEM-KRWDZBQOSA-N 2 2 330.476 2.766 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821215 1311789705 /nfs/dbraw/zinc/78/97/05/1311789705.db2.gz CYUYYFQLQBFZEM-KRWDZBQOSA-N 2 2 330.476 2.766 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048545024 1311888287 /nfs/dbraw/zinc/88/82/87/1311888287.db2.gz LDOIICMMLRLVPE-BJWYYQGGSA-N 2 2 338.455 2.883 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048545024 1311888292 /nfs/dbraw/zinc/88/82/92/1311888292.db2.gz LDOIICMMLRLVPE-BJWYYQGGSA-N 2 2 338.455 2.883 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562265 1311908406 /nfs/dbraw/zinc/90/84/06/1311908406.db2.gz MLBBSHXCPMBTEC-YYIAUSFCSA-N 2 2 342.487 2.765 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001048562265 1311908410 /nfs/dbraw/zinc/90/84/10/1311908410.db2.gz MLBBSHXCPMBTEC-YYIAUSFCSA-N 2 2 342.487 2.765 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785324 1311971566 /nfs/dbraw/zinc/97/15/66/1311971566.db2.gz MJCIPFSKZSJMGX-HNNXBMFYSA-N 2 2 330.476 2.754 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785324 1311971569 /nfs/dbraw/zinc/97/15/69/1311971569.db2.gz MJCIPFSKZSJMGX-HNNXBMFYSA-N 2 2 330.476 2.754 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001228669158 1311978910 /nfs/dbraw/zinc/97/89/10/1311978910.db2.gz MGDHEXAFTIEHKX-QBPKDAKJSA-N 2 2 330.476 2.507 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993881 1312024332 /nfs/dbraw/zinc/02/43/32/1312024332.db2.gz MNLWQZDEVHXSLS-UHFFFAOYSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993881 1312024334 /nfs/dbraw/zinc/02/43/34/1312024334.db2.gz MNLWQZDEVHXSLS-UHFFFAOYSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558983 1312113580 /nfs/dbraw/zinc/11/35/80/1312113580.db2.gz NDOOMPKNPIVEFI-MRXNPFEDSA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229558983 1312113583 /nfs/dbraw/zinc/11/35/83/1312113583.db2.gz NDOOMPKNPIVEFI-MRXNPFEDSA-N 2 2 332.492 2.915 20 30 EFEDLP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001162971032 1312215960 /nfs/dbraw/zinc/21/59/60/1312215960.db2.gz TYDSXBPNJINCCQ-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230381646 1312232832 /nfs/dbraw/zinc/23/28/32/1312232832.db2.gz CDIRTARVLSGRCE-APWZRJJASA-N 2 2 344.503 2.620 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230611607 1312282950 /nfs/dbraw/zinc/28/29/50/1312282950.db2.gz VSBOYFOCLUSJMA-QGZVFWFLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230611607 1312282954 /nfs/dbraw/zinc/28/29/54/1312282954.db2.gz VSBOYFOCLUSJMA-QGZVFWFLSA-N 2 2 330.476 2.621 20 30 EFEDLP C[NH+](C)C1(CNc2nc(C(C)(C)C)ccc2C#N)CC[NH+](C)CC1 ZINC001164211594 1312469237 /nfs/dbraw/zinc/46/92/37/1312469237.db2.gz RBNGDSMVJQHUMX-UHFFFAOYSA-N 2 2 329.492 2.689 20 30 EFEDLP C=CCOc1cccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)c1 ZINC001231623336 1312534640 /nfs/dbraw/zinc/53/46/40/1312534640.db2.gz BXVKLEYRYVWHCK-UHFFFAOYSA-N 2 2 334.460 2.568 20 30 EFEDLP C=CCOc1cccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)c1 ZINC001231623336 1312534643 /nfs/dbraw/zinc/53/46/43/1312534643.db2.gz BXVKLEYRYVWHCK-UHFFFAOYSA-N 2 2 334.460 2.568 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164535927 1312535375 /nfs/dbraw/zinc/53/53/75/1312535375.db2.gz CVQGUJHXBOFGRZ-UHFFFAOYSA-N 2 2 326.444 2.709 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001164596257 1312546656 /nfs/dbraw/zinc/54/66/56/1312546656.db2.gz BHMKQZGGRTWJRL-UHFFFAOYSA-N 2 2 344.503 2.604 20 30 EFEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c12 ZINC001165271753 1312599555 /nfs/dbraw/zinc/59/95/55/1312599555.db2.gz WJIXAXNWDKYAAY-HNNXBMFYSA-N 2 2 349.360 2.945 20 30 EFEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232120540 1312629147 /nfs/dbraw/zinc/62/91/47/1312629147.db2.gz URDFBQHEASDQPD-UHFFFAOYSA-N 2 2 337.851 2.528 20 30 EFEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232120540 1312629148 /nfs/dbraw/zinc/62/91/48/1312629148.db2.gz URDFBQHEASDQPD-UHFFFAOYSA-N 2 2 337.851 2.528 20 30 EFEDLP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(=C)C)CC1 ZINC001052989611 1314546293 /nfs/dbraw/zinc/54/62/93/1314546293.db2.gz NNRUOFABHCLNOH-KDURUIRLSA-N 2 2 345.531 2.914 20 30 EFEDLP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC(=C)C)CC1 ZINC001052989611 1314546297 /nfs/dbraw/zinc/54/62/97/1314546297.db2.gz NNRUOFABHCLNOH-KDURUIRLSA-N 2 2 345.531 2.914 20 30 EFEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245985272 1314558979 /nfs/dbraw/zinc/55/89/79/1314558979.db2.gz PXFKNNIEEVJUGK-SJORKVTESA-N 2 2 342.524 2.913 20 30 EFEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987464 1314560215 /nfs/dbraw/zinc/56/02/15/1314560215.db2.gz SCQGGDVIBCQQLM-MSOLQXFVSA-N 3 2 325.541 2.562 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001245998785 1314562644 /nfs/dbraw/zinc/56/26/44/1314562644.db2.gz ILXUKIGLWKPPHR-FCGDIQPGSA-N 2 2 326.525 2.987 20 30 EFEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OCC=C ZINC001246000008 1314563552 /nfs/dbraw/zinc/56/35/52/1314563552.db2.gz KJWKPHJOCBJGPQ-ROUUACIJSA-N 2 2 340.508 2.690 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052527 1314641912 /nfs/dbraw/zinc/64/19/12/1314641912.db2.gz VORCXSTXTGOXOP-DLBZAZTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052527 1314641915 /nfs/dbraw/zinc/64/19/15/1314641915.db2.gz VORCXSTXTGOXOP-DLBZAZTESA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[C@@H](C)[NH2+]C3)CC2)C1 ZINC001246525812 1314642099 /nfs/dbraw/zinc/64/20/99/1314642099.db2.gz LHYKJZPJIKCCDG-SJORKVTESA-N 2 2 335.492 2.628 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053083955 1314686554 /nfs/dbraw/zinc/68/65/54/1314686554.db2.gz NLPNVBLPPGUXAJ-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053083955 1314686558 /nfs/dbraw/zinc/68/65/58/1314686558.db2.gz NLPNVBLPPGUXAJ-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP CC(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246862756 1314698527 /nfs/dbraw/zinc/69/85/27/1314698527.db2.gz DEQZRJJNORDEKF-AEFFLSMTSA-N 2 2 330.451 2.596 20 30 EFEDLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246865285 1314699633 /nfs/dbraw/zinc/69/96/33/1314699633.db2.gz SVOCTBOBRRYKMF-VQIMIIECSA-N 2 2 344.478 2.986 20 30 EFEDLP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246894023 1314705059 /nfs/dbraw/zinc/70/50/59/1314705059.db2.gz ZNVXCSYOMPHONQ-ICSRJNTNSA-N 2 2 326.488 2.991 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916367 1314757864 /nfs/dbraw/zinc/75/78/64/1314757864.db2.gz DNFXTRAMRQBLKY-KURKYZTESA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855601 1314886098 /nfs/dbraw/zinc/88/60/98/1314886098.db2.gz UMUJVLQSYGMUPO-JFIYKMOQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855601 1314886103 /nfs/dbraw/zinc/88/61/03/1314886103.db2.gz UMUJVLQSYGMUPO-JFIYKMOQSA-N 2 2 332.492 2.771 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038367409 1314889086 /nfs/dbraw/zinc/88/90/86/1314889086.db2.gz LVEOGAFRBYUCNX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038367409 1314889090 /nfs/dbraw/zinc/88/90/90/1314889090.db2.gz LVEOGAFRBYUCNX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038367409 1314889094 /nfs/dbraw/zinc/88/90/94/1314889094.db2.gz LVEOGAFRBYUCNX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038367409 1314889098 /nfs/dbraw/zinc/88/90/98/1314889098.db2.gz LVEOGAFRBYUCNX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216829865 1315013185 /nfs/dbraw/zinc/01/31/85/1315013185.db2.gz BJKZYGMVWPHOCC-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216829865 1315013188 /nfs/dbraw/zinc/01/31/88/1315013188.db2.gz BJKZYGMVWPHOCC-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP CCCC[NH+]1CCC([N@H+](C)Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249125278 1315022323 /nfs/dbraw/zinc/02/23/23/1315022323.db2.gz QINKGOYGQZISEO-UHFFFAOYSA-N 2 2 325.460 2.902 20 30 EFEDLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249125278 1315022324 /nfs/dbraw/zinc/02/23/24/1315022324.db2.gz QINKGOYGQZISEO-UHFFFAOYSA-N 2 2 325.460 2.902 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001054042617 1315210755 /nfs/dbraw/zinc/21/07/55/1315210755.db2.gz DFHDVGOJULNRSM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001054042617 1315210758 /nfs/dbraw/zinc/21/07/58/1315210758.db2.gz DFHDVGOJULNRSM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001054042617 1315210764 /nfs/dbraw/zinc/21/07/64/1315210764.db2.gz DFHDVGOJULNRSM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001054042617 1315210768 /nfs/dbraw/zinc/21/07/68/1315210768.db2.gz DFHDVGOJULNRSM-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)c1 ZINC001278587933 1315236046 /nfs/dbraw/zinc/23/60/46/1315236046.db2.gz BMSXHDYFWQNUDD-RTWAWAEBSA-N 3 2 349.482 2.980 20 30 EFEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)n(C)n1 ZINC001278588184 1315236506 /nfs/dbraw/zinc/23/65/06/1315236506.db2.gz MJPWUQOOYTXTMZ-IHWFROFDSA-N 2 2 349.482 2.885 20 30 EFEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)n(C)n1 ZINC001278588184 1315236510 /nfs/dbraw/zinc/23/65/10/1315236510.db2.gz MJPWUQOOYTXTMZ-IHWFROFDSA-N 2 2 349.482 2.885 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151569 1315374725 /nfs/dbraw/zinc/37/47/25/1315374725.db2.gz MYFOXMXJZRBHQL-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151569 1315374730 /nfs/dbraw/zinc/37/47/30/1315374730.db2.gz MYFOXMXJZRBHQL-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220664079 1315437999 /nfs/dbraw/zinc/43/79/99/1315437999.db2.gz VUPUMQMGBPKCST-KSSFIOAISA-N 2 2 339.439 2.701 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195631 1315439058 /nfs/dbraw/zinc/43/90/58/1315439058.db2.gz OKPUZFXBIUPPSO-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195631 1315439060 /nfs/dbraw/zinc/43/90/60/1315439060.db2.gz OKPUZFXBIUPPSO-UZLBHIALSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054213074 1315466754 /nfs/dbraw/zinc/46/67/54/1315466754.db2.gz TZXJVEMWHCTMNE-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054213074 1315466760 /nfs/dbraw/zinc/46/67/60/1315466760.db2.gz TZXJVEMWHCTMNE-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054213074 1315466763 /nfs/dbraw/zinc/46/67/63/1315466763.db2.gz TZXJVEMWHCTMNE-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054213074 1315466767 /nfs/dbraw/zinc/46/67/67/1315466767.db2.gz TZXJVEMWHCTMNE-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054227276 1315486570 /nfs/dbraw/zinc/48/65/70/1315486570.db2.gz GDDKRFNQVKWVJX-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054227276 1315486574 /nfs/dbraw/zinc/48/65/74/1315486574.db2.gz GDDKRFNQVKWVJX-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235177 1315500119 /nfs/dbraw/zinc/50/01/19/1315500119.db2.gz PEHQFXLGYQSGNZ-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235177 1315500122 /nfs/dbraw/zinc/50/01/22/1315500122.db2.gz PEHQFXLGYQSGNZ-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC001054285612 1315525053 /nfs/dbraw/zinc/52/50/53/1315525053.db2.gz QLCIPRXFUNFGHJ-UHFFFAOYSA-N 2 2 347.462 2.627 20 30 EFEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC001054285612 1315525057 /nfs/dbraw/zinc/52/50/57/1315525057.db2.gz QLCIPRXFUNFGHJ-UHFFFAOYSA-N 2 2 347.462 2.627 20 30 EFEDLP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039146368 1315539086 /nfs/dbraw/zinc/53/90/86/1315539086.db2.gz NUMGPTMEBYKGSN-IBGZPJMESA-N 2 2 339.483 2.814 20 30 EFEDLP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039146368 1315539091 /nfs/dbraw/zinc/53/90/91/1315539091.db2.gz NUMGPTMEBYKGSN-IBGZPJMESA-N 2 2 339.483 2.814 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161899 1315559538 /nfs/dbraw/zinc/55/95/38/1315559538.db2.gz PXFZADMQJUMSAS-HKUYNNGSSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161899 1315559541 /nfs/dbraw/zinc/55/95/41/1315559541.db2.gz PXFZADMQJUMSAS-HKUYNNGSSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216683 1315635462 /nfs/dbraw/zinc/63/54/62/1315635462.db2.gz QOTPDOZFYGJJGG-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216683 1315635467 /nfs/dbraw/zinc/63/54/67/1315635467.db2.gz QOTPDOZFYGJJGG-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230619 1315653201 /nfs/dbraw/zinc/65/32/01/1315653201.db2.gz SAOPMHPFIOSABV-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039230619 1315653204 /nfs/dbraw/zinc/65/32/04/1315653204.db2.gz SAOPMHPFIOSABV-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240386 1315667461 /nfs/dbraw/zinc/66/74/61/1315667461.db2.gz VGDOLBLAIHMXQN-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240386 1315667462 /nfs/dbraw/zinc/66/74/62/1315667462.db2.gz VGDOLBLAIHMXQN-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240378 1315667577 /nfs/dbraw/zinc/66/75/77/1315667577.db2.gz VGDOLBLAIHMXQN-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240378 1315667581 /nfs/dbraw/zinc/66/75/81/1315667581.db2.gz VGDOLBLAIHMXQN-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001039284210 1315701509 /nfs/dbraw/zinc/70/15/09/1315701509.db2.gz IDZXWUDOCUTOGY-OOKSDGMUSA-N 2 2 342.487 2.523 20 30 EFEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001254659495 1315736069 /nfs/dbraw/zinc/73/60/69/1315736069.db2.gz QETJQKURDDGHTB-FUHWJXTLSA-N 2 2 329.444 2.639 20 30 EFEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001254659495 1315736073 /nfs/dbraw/zinc/73/60/73/1315736073.db2.gz QETJQKURDDGHTB-FUHWJXTLSA-N 2 2 329.444 2.639 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375414 1315747760 /nfs/dbraw/zinc/74/77/60/1315747760.db2.gz CZVQNQOBSBNJMW-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375414 1315747762 /nfs/dbraw/zinc/74/77/62/1315747762.db2.gz CZVQNQOBSBNJMW-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388799 1315757476 /nfs/dbraw/zinc/75/74/76/1315757476.db2.gz KDDCIDROZPICEL-YYIAUSFCSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388799 1315757478 /nfs/dbraw/zinc/75/74/78/1315757478.db2.gz KDDCIDROZPICEL-YYIAUSFCSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388799 1315757480 /nfs/dbraw/zinc/75/74/80/1315757480.db2.gz KDDCIDROZPICEL-YYIAUSFCSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388799 1315757482 /nfs/dbraw/zinc/75/74/82/1315757482.db2.gz KDDCIDROZPICEL-YYIAUSFCSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392215 1315758978 /nfs/dbraw/zinc/75/89/78/1315758978.db2.gz HWCOQFWQYUUAMF-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392215 1315758980 /nfs/dbraw/zinc/75/89/80/1315758980.db2.gz HWCOQFWQYUUAMF-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256078707 1315902295 /nfs/dbraw/zinc/90/22/95/1315902295.db2.gz QYMCSKIFSFXPIW-YLJYHZDGSA-N 2 2 334.504 2.687 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256078707 1315902297 /nfs/dbraw/zinc/90/22/97/1315902297.db2.gz QYMCSKIFSFXPIW-YLJYHZDGSA-N 2 2 334.504 2.687 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256537178 1315952866 /nfs/dbraw/zinc/95/28/66/1315952866.db2.gz LQYMVWOHCFKMNZ-NXHRZFHOSA-N 2 2 333.476 2.549 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256537178 1315952868 /nfs/dbraw/zinc/95/28/68/1315952868.db2.gz LQYMVWOHCFKMNZ-NXHRZFHOSA-N 2 2 333.476 2.549 20 30 EFEDLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C2CCC(C#N)CC2)CC3)n1 ZINC001256968510 1316016292 /nfs/dbraw/zinc/01/62/92/1316016292.db2.gz VMESBFFDWADNQZ-UHFFFAOYSA-N 2 2 341.503 2.933 20 30 EFEDLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C2CCC(C#N)CC2)CC3)n1 ZINC001256968510 1316016296 /nfs/dbraw/zinc/01/62/96/1316016296.db2.gz VMESBFFDWADNQZ-UHFFFAOYSA-N 2 2 341.503 2.933 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040265088 1316174028 /nfs/dbraw/zinc/17/40/28/1316174028.db2.gz VUPCGOYITXXEML-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040265088 1316174030 /nfs/dbraw/zinc/17/40/30/1316174030.db2.gz VUPCGOYITXXEML-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040291848 1316186922 /nfs/dbraw/zinc/18/69/22/1316186922.db2.gz HVAMFGAKDOLZEN-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040291848 1316186924 /nfs/dbraw/zinc/18/69/24/1316186924.db2.gz HVAMFGAKDOLZEN-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319799 1316200150 /nfs/dbraw/zinc/20/01/50/1316200150.db2.gz KOJWAPJXLYSLBV-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319799 1316200153 /nfs/dbraw/zinc/20/01/53/1316200153.db2.gz KOJWAPJXLYSLBV-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387352 1316235742 /nfs/dbraw/zinc/23/57/42/1316235742.db2.gz JAGOQVCVRNGEGI-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387352 1316235744 /nfs/dbraw/zinc/23/57/44/1316235744.db2.gz JAGOQVCVRNGEGI-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001040683030 1316352030 /nfs/dbraw/zinc/35/20/30/1316352030.db2.gz LNGLWVVHFFFSSI-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001040788057 1316374866 /nfs/dbraw/zinc/37/48/66/1316374866.db2.gz WYYNLDLOAGUVSW-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001040913680 1316403428 /nfs/dbraw/zinc/40/34/28/1316403428.db2.gz DYCCBJKVJSHWDF-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001040929169 1316406008 /nfs/dbraw/zinc/40/60/08/1316406008.db2.gz GYCJOPHUHDQMQZ-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408424 1316543501 /nfs/dbraw/zinc/54/35/01/1316543501.db2.gz VKDDRMWUITVBLZ-SFHVURJKSA-N 2 2 344.846 2.853 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408424 1316543503 /nfs/dbraw/zinc/54/35/03/1316543503.db2.gz VKDDRMWUITVBLZ-SFHVURJKSA-N 2 2 344.846 2.853 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001041471093 1316560974 /nfs/dbraw/zinc/56/09/74/1316560974.db2.gz RCFYKKTWETZPEJ-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001041471093 1316560976 /nfs/dbraw/zinc/56/09/76/1316560976.db2.gz RCFYKKTWETZPEJ-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787434 1316698541 /nfs/dbraw/zinc/69/85/41/1316698541.db2.gz NQUUJDPKVQXRDX-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787434 1316698544 /nfs/dbraw/zinc/69/85/44/1316698544.db2.gz NQUUJDPKVQXRDX-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042062174 1316851832 /nfs/dbraw/zinc/85/18/32/1316851832.db2.gz KCVAMQPIMYZSIR-WMZOPIPTSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042062174 1316851833 /nfs/dbraw/zinc/85/18/33/1316851833.db2.gz KCVAMQPIMYZSIR-WMZOPIPTSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042063341 1316853468 /nfs/dbraw/zinc/85/34/68/1316853468.db2.gz VCWCFSQCQZAGSG-FUHWJXTLSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042063341 1316853471 /nfs/dbraw/zinc/85/34/71/1316853471.db2.gz VCWCFSQCQZAGSG-FUHWJXTLSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001042168032 1316925942 /nfs/dbraw/zinc/92/59/42/1316925942.db2.gz RDZFOKVHQNBFHG-LPHOPBHVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001042168032 1316925945 /nfs/dbraw/zinc/92/59/45/1316925945.db2.gz RDZFOKVHQNBFHG-LPHOPBHVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042185278 1316938853 /nfs/dbraw/zinc/93/88/53/1316938853.db2.gz AGDIFWDQMJZRKV-HOTGVXAUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042185278 1316938854 /nfs/dbraw/zinc/93/88/54/1316938854.db2.gz AGDIFWDQMJZRKV-HOTGVXAUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042315023 1317139229 /nfs/dbraw/zinc/13/92/29/1317139229.db2.gz YRAVAEOOMNNAEN-CVEARBPZSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042315023 1317139236 /nfs/dbraw/zinc/13/92/36/1317139236.db2.gz YRAVAEOOMNNAEN-CVEARBPZSA-N 2 2 330.476 2.576 20 30 EFEDLP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001329068397 1330662233 /nfs/dbraw/zinc/66/22/33/1330662233.db2.gz UIKLXCSHEMWAOV-IBGZPJMESA-N 2 2 325.456 2.541 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340172971 1332149104 /nfs/dbraw/zinc/14/91/04/1332149104.db2.gz MPBYJOJXJJZINT-JZXOWHBKSA-N 2 2 345.487 2.918 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340172971 1332149106 /nfs/dbraw/zinc/14/91/06/1332149106.db2.gz MPBYJOJXJJZINT-JZXOWHBKSA-N 2 2 345.487 2.918 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001341697067 1332277756 /nfs/dbraw/zinc/27/77/56/1332277756.db2.gz NNXNGQQCYWKKCN-CRAIPNDOSA-N 2 2 331.460 2.702 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001343456594 1332348387 /nfs/dbraw/zinc/34/83/87/1332348387.db2.gz IMTCEXNDESVDMK-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001343456594 1332348390 /nfs/dbraw/zinc/34/83/90/1332348390.db2.gz IMTCEXNDESVDMK-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001343456594 1332348394 /nfs/dbraw/zinc/34/83/94/1332348394.db2.gz IMTCEXNDESVDMK-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001343456594 1332348396 /nfs/dbraw/zinc/34/83/96/1332348396.db2.gz IMTCEXNDESVDMK-IKGGRYGDSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571491 1334126099 /nfs/dbraw/zinc/12/60/99/1334126099.db2.gz XEFHQXFHZMWACW-UHFFFAOYSA-N 2 2 326.444 2.803 20 30 EFEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NC[C@H]1CCCCO1 ZINC001356509062 1335045616 /nfs/dbraw/zinc/04/56/16/1335045616.db2.gz KXMBJQOUDNYZIK-MRXNPFEDSA-N 2 2 335.496 2.566 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001367075549 1338355776 /nfs/dbraw/zinc/35/57/76/1338355776.db2.gz UMWUBCAGSMOCID-INIZCTEOSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001367075549 1338355781 /nfs/dbraw/zinc/35/57/81/1338355781.db2.gz UMWUBCAGSMOCID-INIZCTEOSA-N 2 2 327.900 2.538 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001367529796 1338830311 /nfs/dbraw/zinc/83/03/11/1338830311.db2.gz ZKLKRAHOGCIIBN-UHFFFAOYSA-N 2 2 337.895 2.547 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001367529796 1338830316 /nfs/dbraw/zinc/83/03/16/1338830316.db2.gz ZKLKRAHOGCIIBN-UHFFFAOYSA-N 2 2 337.895 2.547 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971176 1340316223 /nfs/dbraw/zinc/31/62/23/1340316223.db2.gz PZSVMFKUTNDPSK-HOTGVXAUSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971176 1340316226 /nfs/dbraw/zinc/31/62/26/1340316226.db2.gz PZSVMFKUTNDPSK-HOTGVXAUSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001372842909 1340834381 /nfs/dbraw/zinc/83/43/81/1340834381.db2.gz CZPZPXSUZVOJBU-UHFFFAOYSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001372842909 1340834392 /nfs/dbraw/zinc/83/43/92/1340834392.db2.gz CZPZPXSUZVOJBU-UHFFFAOYSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001378105048 1344766993 /nfs/dbraw/zinc/76/69/93/1344766993.db2.gz ZQMUMMIRCKJBFX-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001378105048 1344767001 /nfs/dbraw/zinc/76/70/01/1344767001.db2.gz ZQMUMMIRCKJBFX-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001379115079 1345592947 /nfs/dbraw/zinc/59/29/47/1345592947.db2.gz CSFKQCKEYCHHJA-QGZVFWFLSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001379115079 1345592949 /nfs/dbraw/zinc/59/29/49/1345592949.db2.gz CSFKQCKEYCHHJA-QGZVFWFLSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001379115079 1345592953 /nfs/dbraw/zinc/59/29/53/1345592953.db2.gz CSFKQCKEYCHHJA-QGZVFWFLSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001379115079 1345592956 /nfs/dbraw/zinc/59/29/56/1345592956.db2.gz CSFKQCKEYCHHJA-QGZVFWFLSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001379648100 1347225033 /nfs/dbraw/zinc/22/50/33/1347225033.db2.gz GJPKJKWDAWXVBB-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001379648100 1347225034 /nfs/dbraw/zinc/22/50/34/1347225034.db2.gz GJPKJKWDAWXVBB-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001392190429 1355846006 /nfs/dbraw/zinc/84/60/06/1355846006.db2.gz UGHUAZWDGKWIGP-GJZGRUSLSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001393492214 1356894300 /nfs/dbraw/zinc/89/43/00/1356894300.db2.gz OICHRMOGDLGPKY-BZUAXINKSA-N 2 2 338.883 2.851 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001398241255 1360409980 /nfs/dbraw/zinc/40/99/80/1360409980.db2.gz XFXIHBXZRFGEKM-INIZCTEOSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001398241255 1360409978 /nfs/dbraw/zinc/40/99/78/1360409978.db2.gz XFXIHBXZRFGEKM-INIZCTEOSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398241255 1360409983 /nfs/dbraw/zinc/40/99/83/1360409983.db2.gz XFXIHBXZRFGEKM-INIZCTEOSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398241255 1360409986 /nfs/dbraw/zinc/40/99/86/1360409986.db2.gz XFXIHBXZRFGEKM-INIZCTEOSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001401075167 1362416114 /nfs/dbraw/zinc/41/61/14/1362416114.db2.gz MAXQTGHMQXBYMK-HNNXBMFYSA-N 2 2 338.883 2.805 20 30 EFEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001401178974 1362513170 /nfs/dbraw/zinc/51/31/70/1362513170.db2.gz OMFSIKSZQWUYRK-UHFFFAOYSA-N 2 2 332.835 2.719 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001403174384 1364396896 /nfs/dbraw/zinc/39/68/96/1364396896.db2.gz YRXWHIVKWHCKAC-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001403174384 1364396898 /nfs/dbraw/zinc/39/68/98/1364396898.db2.gz YRXWHIVKWHCKAC-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001403174384 1364396902 /nfs/dbraw/zinc/39/69/02/1364396902.db2.gz YRXWHIVKWHCKAC-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001403174384 1364396904 /nfs/dbraw/zinc/39/69/04/1364396904.db2.gz YRXWHIVKWHCKAC-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001403949583 1365091415 /nfs/dbraw/zinc/09/14/15/1365091415.db2.gz LDYUBJBNMQBBRC-MRXNPFEDSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001403949583 1365091418 /nfs/dbraw/zinc/09/14/18/1365091418.db2.gz LDYUBJBNMQBBRC-MRXNPFEDSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001404506816 1365609431 /nfs/dbraw/zinc/60/94/31/1365609431.db2.gz NXSQKHOGLKLZBB-OAHLLOKOSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001404506816 1365609434 /nfs/dbraw/zinc/60/94/34/1365609434.db2.gz NXSQKHOGLKLZBB-OAHLLOKOSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001417994808 1373498769 /nfs/dbraw/zinc/49/87/69/1373498769.db2.gz SRIODZWEZFMBGN-QGZVFWFLSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001437979809 1388290065 /nfs/dbraw/zinc/29/00/65/1388290065.db2.gz NBILGOUHHHLPRZ-HNNXBMFYSA-N 2 2 346.862 2.789 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001437979809 1388290069 /nfs/dbraw/zinc/29/00/69/1388290069.db2.gz NBILGOUHHHLPRZ-HNNXBMFYSA-N 2 2 346.862 2.789 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001419364066 1375170056 /nfs/dbraw/zinc/17/00/56/1375170056.db2.gz OHOGAJCIYATVGA-YOEHRIQHSA-N 2 2 338.883 2.680 20 30 EFEDLP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001419392467 1375214220 /nfs/dbraw/zinc/21/42/20/1375214220.db2.gz ROCMTMNWFBSPPE-UHFFFAOYSA-N 2 2 346.862 2.511 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420086639 1376440604 /nfs/dbraw/zinc/44/06/04/1376440604.db2.gz LUZZLWIIWXQFOK-OCCSQVGLSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421362812 1378544756 /nfs/dbraw/zinc/54/47/56/1378544756.db2.gz QVBCIRHZBWQKBP-KRWDZBQOSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421362812 1378544760 /nfs/dbraw/zinc/54/47/60/1378544760.db2.gz QVBCIRHZBWQKBP-KRWDZBQOSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001438514788 1388649637 /nfs/dbraw/zinc/64/96/37/1388649637.db2.gz YZSMAJRDMDMUTG-ZDUSSCGKSA-N 2 2 332.835 2.580 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001423553412 1382055796 /nfs/dbraw/zinc/05/57/96/1382055796.db2.gz YCEPBXBFKUSCQY-HNNXBMFYSA-N 2 2 346.862 2.965 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001495980953 1400397072 /nfs/dbraw/zinc/39/70/72/1400397072.db2.gz PXXDYNBGSRIFEC-UHFFFAOYSA-N 2 2 339.911 2.539 20 30 EFEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496091317 1400465678 /nfs/dbraw/zinc/46/56/78/1400465678.db2.gz ATLDTZOLJLVRHP-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001502141524 1404038658 /nfs/dbraw/zinc/03/86/58/1404038658.db2.gz ZVTJGCZSDQRMOG-MRXNPFEDSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001502141524 1404038707 /nfs/dbraw/zinc/03/87/07/1404038707.db2.gz ZVTJGCZSDQRMOG-MRXNPFEDSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001506641815 1406084101 /nfs/dbraw/zinc/08/41/01/1406084101.db2.gz SQSMRHUOHZGITA-HNNXBMFYSA-N 2 2 341.927 2.688 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001690103018 1417153526 /nfs/dbraw/zinc/15/35/26/1417153526.db2.gz APCGNZPBDMYHNC-BRWVUGGUSA-N 2 2 332.492 2.685 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001690103018 1417153528 /nfs/dbraw/zinc/15/35/28/1417153528.db2.gz APCGNZPBDMYHNC-BRWVUGGUSA-N 2 2 332.492 2.685 20 30 EFEDLP Cc1ccccc1NC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000170911841 1423142350 /nfs/dbraw/zinc/14/23/50/1423142350.db2.gz HGYJQEGKTBWIHU-UHFFFAOYSA-N 2 2 338.455 2.754 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611588 714176766 /nfs/dbraw/zinc/17/67/66/714176766.db2.gz PZBXUJOXQAIJKH-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611588 714176768 /nfs/dbraw/zinc/17/67/68/714176768.db2.gz PZBXUJOXQAIJKH-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633709 714210739 /nfs/dbraw/zinc/21/07/39/714210739.db2.gz SLPYSHROOPGBOU-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633709 714210742 /nfs/dbraw/zinc/21/07/42/714210742.db2.gz SLPYSHROOPGBOU-IAGOWNOFSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024615449 718028165 /nfs/dbraw/zinc/02/81/65/718028165.db2.gz SQCDFKGZVQLPJW-IAGOWNOFSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615449 718028166 /nfs/dbraw/zinc/02/81/66/718028166.db2.gz SQCDFKGZVQLPJW-IAGOWNOFSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615449 718028169 /nfs/dbraw/zinc/02/81/69/718028169.db2.gz SQCDFKGZVQLPJW-IAGOWNOFSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615449 718028172 /nfs/dbraw/zinc/02/81/72/718028172.db2.gz SQCDFKGZVQLPJW-IAGOWNOFSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974943230 715364344 /nfs/dbraw/zinc/36/43/44/715364344.db2.gz FGCYCXKNFKLBLM-HZPDHXFCSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974943230 715364346 /nfs/dbraw/zinc/36/43/46/715364346.db2.gz FGCYCXKNFKLBLM-HZPDHXFCSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943230 715364347 /nfs/dbraw/zinc/36/43/47/715364347.db2.gz FGCYCXKNFKLBLM-HZPDHXFCSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943230 715364349 /nfs/dbraw/zinc/36/43/49/715364349.db2.gz FGCYCXKNFKLBLM-HZPDHXFCSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485985 716029068 /nfs/dbraw/zinc/02/90/68/716029068.db2.gz PLJBOQNYIHOMBE-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485985 716029072 /nfs/dbraw/zinc/02/90/72/716029072.db2.gz PLJBOQNYIHOMBE-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485985 716029076 /nfs/dbraw/zinc/02/90/76/716029076.db2.gz PLJBOQNYIHOMBE-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485985 716029079 /nfs/dbraw/zinc/02/90/79/716029079.db2.gz PLJBOQNYIHOMBE-HZPDHXFCSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445288 716473100 /nfs/dbraw/zinc/47/31/00/716473100.db2.gz LJFSWOGQFSQZQT-ZDUSSCGKSA-N 2 2 332.835 2.757 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445288 716473102 /nfs/dbraw/zinc/47/31/02/716473102.db2.gz LJFSWOGQFSQZQT-ZDUSSCGKSA-N 2 2 332.835 2.757 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978169345 716867398 /nfs/dbraw/zinc/86/73/98/716867398.db2.gz UZCHDFMBLNHSMP-NNZMDNLPSA-N 2 2 338.455 2.517 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978169345 716867402 /nfs/dbraw/zinc/86/74/02/716867402.db2.gz UZCHDFMBLNHSMP-NNZMDNLPSA-N 2 2 338.455 2.517 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929828 717228597 /nfs/dbraw/zinc/22/85/97/717228597.db2.gz JTRIVRUECHJEQG-IRXDYDNUSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929828 717228603 /nfs/dbraw/zinc/22/86/03/717228603.db2.gz JTRIVRUECHJEQG-IRXDYDNUSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929828 717228608 /nfs/dbraw/zinc/22/86/08/717228608.db2.gz JTRIVRUECHJEQG-IRXDYDNUSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929828 717228613 /nfs/dbraw/zinc/22/86/13/717228613.db2.gz JTRIVRUECHJEQG-IRXDYDNUSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024437861 717734098 /nfs/dbraw/zinc/73/40/98/717734098.db2.gz XKFOTUVLHACGFF-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024437861 717734104 /nfs/dbraw/zinc/73/41/04/717734104.db2.gz XKFOTUVLHACGFF-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437861 717734111 /nfs/dbraw/zinc/73/41/11/717734111.db2.gz XKFOTUVLHACGFF-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437861 717734115 /nfs/dbraw/zinc/73/41/15/717734115.db2.gz XKFOTUVLHACGFF-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476953 717789657 /nfs/dbraw/zinc/78/96/57/717789657.db2.gz HNULRANEVBOLEF-SJORKVTESA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024476953 717789662 /nfs/dbraw/zinc/78/96/62/717789662.db2.gz HNULRANEVBOLEF-SJORKVTESA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476953 717789665 /nfs/dbraw/zinc/78/96/65/717789665.db2.gz HNULRANEVBOLEF-SJORKVTESA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476953 717789671 /nfs/dbraw/zinc/78/96/71/717789671.db2.gz HNULRANEVBOLEF-SJORKVTESA-N 2 2 341.927 2.688 20 30 EFEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980166858 717831168 /nfs/dbraw/zinc/83/11/68/717831168.db2.gz OXVZVKTYRGOUHM-OTWHNJEPSA-N 2 2 339.483 2.860 20 30 EFEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980166858 717831171 /nfs/dbraw/zinc/83/11/71/717831171.db2.gz OXVZVKTYRGOUHM-OTWHNJEPSA-N 2 2 339.483 2.860 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663289 718431916 /nfs/dbraw/zinc/43/19/16/718431916.db2.gz STQOMBFTELNQPJ-HIFRSBDPSA-N 2 2 339.867 2.676 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663289 718431918 /nfs/dbraw/zinc/43/19/18/718431918.db2.gz STQOMBFTELNQPJ-HIFRSBDPSA-N 2 2 339.867 2.676 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254396 718480768 /nfs/dbraw/zinc/48/07/68/718480768.db2.gz ISCROOLPYOYMLB-ROUUACIJSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025254396 718480771 /nfs/dbraw/zinc/48/07/71/718480771.db2.gz ISCROOLPYOYMLB-ROUUACIJSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045461 718490053 /nfs/dbraw/zinc/49/00/53/718490053.db2.gz IORBIPDGPCHCSY-QGZVFWFLSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045461 718490054 /nfs/dbraw/zinc/49/00/54/718490054.db2.gz IORBIPDGPCHCSY-QGZVFWFLSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273464 718509293 /nfs/dbraw/zinc/50/92/93/718509293.db2.gz FPYOCLFISWCOCW-HOTGVXAUSA-N 2 2 336.867 2.550 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273464 718509296 /nfs/dbraw/zinc/50/92/96/718509296.db2.gz FPYOCLFISWCOCW-HOTGVXAUSA-N 2 2 336.867 2.550 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287070 718523002 /nfs/dbraw/zinc/52/30/02/718523002.db2.gz BTIKDTHFBHHXID-IRXDYDNUSA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287070 718523004 /nfs/dbraw/zinc/52/30/04/718523004.db2.gz BTIKDTHFBHHXID-IRXDYDNUSA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297926 718545066 /nfs/dbraw/zinc/54/50/66/718545066.db2.gz SCKIHPNOUXEVBM-MOPGFXCFSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025297926 718545069 /nfs/dbraw/zinc/54/50/69/718545069.db2.gz SCKIHPNOUXEVBM-MOPGFXCFSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420373 718799286 /nfs/dbraw/zinc/79/92/86/718799286.db2.gz AWHMVICDFJDRAN-NVXWUHKLSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420373 718799287 /nfs/dbraw/zinc/79/92/87/718799287.db2.gz AWHMVICDFJDRAN-NVXWUHKLSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492737 719020433 /nfs/dbraw/zinc/02/04/33/719020433.db2.gz DSVVLJRADDKXEM-AEFFLSMTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492737 719020438 /nfs/dbraw/zinc/02/04/38/719020438.db2.gz DSVVLJRADDKXEM-AEFFLSMTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@]2(C)C1 ZINC000982304632 719863848 /nfs/dbraw/zinc/86/38/48/719863848.db2.gz GXEVNMRRLWOZFP-BGYRXZFFSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@]2(C)C1 ZINC000982304632 719863855 /nfs/dbraw/zinc/86/38/55/719863855.db2.gz GXEVNMRRLWOZFP-BGYRXZFFSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028251811 719877676 /nfs/dbraw/zinc/87/76/76/719877676.db2.gz MLGDWRUYQBBBFX-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028251811 719877680 /nfs/dbraw/zinc/87/76/80/719877680.db2.gz MLGDWRUYQBBBFX-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251811 719877685 /nfs/dbraw/zinc/87/76/85/719877685.db2.gz MLGDWRUYQBBBFX-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251811 719877692 /nfs/dbraw/zinc/87/76/92/719877692.db2.gz MLGDWRUYQBBBFX-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001026577309 720767495 /nfs/dbraw/zinc/76/74/95/720767495.db2.gz BGTHOYKDVYOLKP-UHFFFAOYSA-N 2 2 340.471 2.778 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761225 721399332 /nfs/dbraw/zinc/39/93/32/721399332.db2.gz TWRTZUPNLUVJBW-HZPDHXFCSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761225 721399335 /nfs/dbraw/zinc/39/93/35/721399335.db2.gz TWRTZUPNLUVJBW-HZPDHXFCSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761225 721399339 /nfs/dbraw/zinc/39/93/39/721399339.db2.gz TWRTZUPNLUVJBW-HZPDHXFCSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761225 721399343 /nfs/dbraw/zinc/39/93/43/721399343.db2.gz TWRTZUPNLUVJBW-HZPDHXFCSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000986607686 724797450 /nfs/dbraw/zinc/79/74/50/724797450.db2.gz CNASHJOJWOKFRB-RHSMWYFYSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718170 721890434 /nfs/dbraw/zinc/89/04/34/721890434.db2.gz CNTZNEKAZZWURL-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718170 721890435 /nfs/dbraw/zinc/89/04/35/721890435.db2.gz CNTZNEKAZZWURL-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP CN(c1ccccc1C[N@@H+]1CCC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000896505171 723330102 /nfs/dbraw/zinc/33/01/02/723330102.db2.gz ZATQTBIGXFVJOA-QGZVFWFLSA-N 2 2 326.488 2.953 20 30 EFEDLP CN(c1ccccc1C[N@H+]1CCC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000896505171 723330105 /nfs/dbraw/zinc/33/01/05/723330105.db2.gz ZATQTBIGXFVJOA-QGZVFWFLSA-N 2 2 326.488 2.953 20 30 EFEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)N1 ZINC000262647452 724906289 /nfs/dbraw/zinc/90/62/89/724906289.db2.gz JNOFVIDIDNZEHL-RHSMWYFYSA-N 2 2 340.496 2.785 20 30 EFEDLP C[C@@H]1C[NH+]=C(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)N1 ZINC000262647452 724906291 /nfs/dbraw/zinc/90/62/91/724906291.db2.gz JNOFVIDIDNZEHL-RHSMWYFYSA-N 2 2 340.496 2.785 20 30 EFEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992029775 725473435 /nfs/dbraw/zinc/47/34/35/725473435.db2.gz JACKCITUAFEQBM-TZIWHRDSSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992029775 725473438 /nfs/dbraw/zinc/47/34/38/725473438.db2.gz JACKCITUAFEQBM-TZIWHRDSSA-N 2 2 348.450 2.622 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992164337 725577419 /nfs/dbraw/zinc/57/74/19/725577419.db2.gz CBROUFRXKRRYBO-IDHHARJASA-N 2 2 328.460 2.519 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992164337 725577422 /nfs/dbraw/zinc/57/74/22/725577422.db2.gz CBROUFRXKRRYBO-IDHHARJASA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000987300508 725635439 /nfs/dbraw/zinc/63/54/39/725635439.db2.gz OSDFGKNGXHYGJS-YOEHRIQHSA-N 2 2 344.846 2.817 20 30 EFEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992362369 725745937 /nfs/dbraw/zinc/74/59/37/725745937.db2.gz JIZOUYXJMSKLAS-TZIWHRDSSA-N 2 2 348.450 2.622 20 30 EFEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992362369 725745939 /nfs/dbraw/zinc/74/59/39/725745939.db2.gz JIZOUYXJMSKLAS-TZIWHRDSSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992364291 725747486 /nfs/dbraw/zinc/74/74/86/725747486.db2.gz LZUDCPSWIRUDQW-AEFFLSMTSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992364291 725747488 /nfs/dbraw/zinc/74/74/88/725747488.db2.gz LZUDCPSWIRUDQW-AEFFLSMTSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC000992723617 726137417 /nfs/dbraw/zinc/13/74/17/726137417.db2.gz AAARHVDFNMSAHI-FGTMMUONSA-N 2 2 344.503 2.719 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993357976 727160454 /nfs/dbraw/zinc/16/04/54/727160454.db2.gz YBTFUVJLRSGJGJ-DOTOQJQBSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993357976 727160455 /nfs/dbraw/zinc/16/04/55/727160455.db2.gz YBTFUVJLRSGJGJ-DOTOQJQBSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535419 727299960 /nfs/dbraw/zinc/29/99/60/727299960.db2.gz UERWHODLCKKVDK-YOEHRIQHSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535419 727299961 /nfs/dbraw/zinc/29/99/61/727299961.db2.gz UERWHODLCKKVDK-YOEHRIQHSA-N 2 2 346.862 2.978 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991475617 727888418 /nfs/dbraw/zinc/88/84/18/727888418.db2.gz SVIKSHLMUFXSAB-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991475617 727888420 /nfs/dbraw/zinc/88/84/20/727888420.db2.gz SVIKSHLMUFXSAB-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991475617 727888422 /nfs/dbraw/zinc/88/84/22/727888422.db2.gz SVIKSHLMUFXSAB-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991475617 727888425 /nfs/dbraw/zinc/88/84/25/727888425.db2.gz SVIKSHLMUFXSAB-QKYXUNIQSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942179514 728351657 /nfs/dbraw/zinc/35/16/57/728351657.db2.gz BHFTUECDFHVXLX-DOTOQJQBSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942179514 728351660 /nfs/dbraw/zinc/35/16/60/728351660.db2.gz BHFTUECDFHVXLX-DOTOQJQBSA-N 2 2 332.492 2.719 20 30 EFEDLP C#CC[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[NH2+]1 ZINC001574524936 1088018285 /nfs/dbraw/zinc/01/82/85/1088018285.db2.gz APLLPNZNXSQYSG-KRWDZBQOSA-N 2 2 328.803 2.610 20 30 EFEDLP C=CC1(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C[NH2+]C1 ZINC001574880497 1088137190 /nfs/dbraw/zinc/13/71/90/1088137190.db2.gz VQJPLQXSHUHAIU-UHFFFAOYSA-N 2 2 336.439 2.991 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)cc1Cl ZINC001580069511 1090762197 /nfs/dbraw/zinc/76/21/97/1090762197.db2.gz ALKYXYDUTXFISL-KDOFPFPSSA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)cc1Cl ZINC001580069511 1090762203 /nfs/dbraw/zinc/76/22/03/1090762203.db2.gz ALKYXYDUTXFISL-KDOFPFPSSA-N 2 2 346.862 2.601 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457338 1093191763 /nfs/dbraw/zinc/19/17/63/1093191763.db2.gz PVDWOWZFJMFJKY-GOSISDBHSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457338 1093191768 /nfs/dbraw/zinc/19/17/68/1093191768.db2.gz PVDWOWZFJMFJKY-GOSISDBHSA-N 2 2 344.503 2.800 20 30 EFEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104435777 1093207144 /nfs/dbraw/zinc/20/71/44/1093207144.db2.gz FKQGPIYQUJAVIK-CRAIPNDOSA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458611 1093231062 /nfs/dbraw/zinc/23/10/62/1093231062.db2.gz LKRLNBPCZHVFKJ-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458611 1093231070 /nfs/dbraw/zinc/23/10/70/1093231070.db2.gz LKRLNBPCZHVFKJ-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665047 1094558507 /nfs/dbraw/zinc/55/85/07/1094558507.db2.gz IGHCANLEHJENRK-BRWVUGGUSA-N 2 2 344.503 2.870 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699582 1094664683 /nfs/dbraw/zinc/66/46/83/1094664683.db2.gz ZPCQLQVUBQQFLO-BRSBDYLESA-N 2 2 344.503 2.564 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001481519224 1095075895 /nfs/dbraw/zinc/07/58/95/1095075895.db2.gz XRWOHPMHYMUXGL-HNNXBMFYSA-N 2 2 338.883 2.757 20 30 EFEDLP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001481519224 1095075906 /nfs/dbraw/zinc/07/59/06/1095075906.db2.gz XRWOHPMHYMUXGL-HNNXBMFYSA-N 2 2 338.883 2.757 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087313226 1095259644 /nfs/dbraw/zinc/25/96/44/1095259644.db2.gz QXJIUCDJELGGFT-BHIYHBOVSA-N 2 2 344.503 2.534 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087313226 1095259655 /nfs/dbraw/zinc/25/96/55/1095259655.db2.gz QXJIUCDJELGGFT-BHIYHBOVSA-N 2 2 344.503 2.534 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087316936 1095302754 /nfs/dbraw/zinc/30/27/54/1095302754.db2.gz ZOEIWHIAHUGFQQ-MNEFBYGVSA-N 2 2 344.503 2.832 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087316936 1095302765 /nfs/dbraw/zinc/30/27/65/1095302765.db2.gz ZOEIWHIAHUGFQQ-MNEFBYGVSA-N 2 2 344.503 2.832 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777778 1095837063 /nfs/dbraw/zinc/83/70/63/1095837063.db2.gz TWDQOOQOMXMDFT-GVDBMIGSSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777778 1095837084 /nfs/dbraw/zinc/83/70/84/1095837084.db2.gz TWDQOOQOMXMDFT-GVDBMIGSSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CC[C@@H](C)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001268968268 1097760764 /nfs/dbraw/zinc/76/07/64/1097760764.db2.gz MIZMRORWTUYDFD-QRQLOZEOSA-N 2 2 330.476 2.647 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097337 1099683168 /nfs/dbraw/zinc/68/31/68/1099683168.db2.gz NTXCETFYNRMBQL-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680178 1099861378 /nfs/dbraw/zinc/86/13/78/1099861378.db2.gz KGAUCUMMXBWRQT-RBUKOAKNSA-N 2 2 338.455 2.503 20 30 EFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527728 1099895670 /nfs/dbraw/zinc/89/56/70/1099895670.db2.gz SWGZUKWRAVQIIV-FTRWYGJKSA-N 2 2 342.487 2.624 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571587 1100542942 /nfs/dbraw/zinc/54/29/42/1100542942.db2.gz BCSBTJUPAKCRRI-DLBZAZTESA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571587 1100542944 /nfs/dbraw/zinc/54/29/44/1100542944.db2.gz BCSBTJUPAKCRRI-DLBZAZTESA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571915 1100543574 /nfs/dbraw/zinc/54/35/74/1100543574.db2.gz SGTQOEGMGHMGKF-DLBZAZTESA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571915 1100543580 /nfs/dbraw/zinc/54/35/80/1100543580.db2.gz SGTQOEGMGHMGKF-DLBZAZTESA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634774 1100616665 /nfs/dbraw/zinc/61/66/65/1100616665.db2.gz UIJWBPQFPNNSQU-DLBZAZTESA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720544 1100697723 /nfs/dbraw/zinc/69/77/23/1100697723.db2.gz ZDUUVZBMFXMLAY-HLLBOEOZSA-N 2 2 330.476 2.765 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720544 1100697724 /nfs/dbraw/zinc/69/77/24/1100697724.db2.gz ZDUUVZBMFXMLAY-HLLBOEOZSA-N 2 2 330.476 2.765 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749241 1100723786 /nfs/dbraw/zinc/72/37/86/1100723786.db2.gz ATMOYUDTIZQEOR-YESZJQIVSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749241 1100723789 /nfs/dbraw/zinc/72/37/89/1100723789.db2.gz ATMOYUDTIZQEOR-YESZJQIVSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124587 1101609508 /nfs/dbraw/zinc/60/95/08/1101609508.db2.gz SARRUWPDQNQDTO-KSZLIROESA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124587 1101609513 /nfs/dbraw/zinc/60/95/13/1101609513.db2.gz SARRUWPDQNQDTO-KSZLIROESA-N 2 2 330.476 2.581 20 30 EFEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327532 1101777524 /nfs/dbraw/zinc/77/75/24/1101777524.db2.gz ROKIIBDRXRQVTE-QRVBRYPASA-N 2 2 344.503 2.568 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167305 1101973908 /nfs/dbraw/zinc/97/39/08/1101973908.db2.gz FYHSKVYAAMMDOE-OAHLLOKOSA-N 2 2 330.476 2.672 20 30 EFEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001112482101 1102334431 /nfs/dbraw/zinc/33/44/31/1102334431.db2.gz ARIVVYIUKBATID-RXVVDRJESA-N 2 2 339.483 2.862 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001088391748 1103389901 /nfs/dbraw/zinc/38/99/01/1103389901.db2.gz SGKJYULZWUUKIJ-JKSUJKDBSA-N 2 2 338.883 2.948 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001088631614 1105588509 /nfs/dbraw/zinc/58/85/09/1105588509.db2.gz WUFRJHFCCDNCCG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001088631614 1105588514 /nfs/dbraw/zinc/58/85/14/1105588514.db2.gz WUFRJHFCCDNCCG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088631614 1105588518 /nfs/dbraw/zinc/58/85/18/1105588518.db2.gz WUFRJHFCCDNCCG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088631614 1105588522 /nfs/dbraw/zinc/58/85/22/1105588522.db2.gz WUFRJHFCCDNCCG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105565822 1105954605 /nfs/dbraw/zinc/95/46/05/1105954605.db2.gz BSHWMOQLDOTIJF-KRWDZBQOSA-N 2 2 330.476 2.669 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)cc1 ZINC000897990982 1106189834 /nfs/dbraw/zinc/18/98/34/1106189834.db2.gz IGOCKJAMHVPSDD-UHFFFAOYSA-N 2 2 347.422 2.849 20 30 EFEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458313 1106282493 /nfs/dbraw/zinc/28/24/93/1106282493.db2.gz GKHWCACHUHMOPD-FQEVSTJZSA-N 2 2 329.488 2.574 20 30 EFEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458313 1106282497 /nfs/dbraw/zinc/28/24/97/1106282497.db2.gz GKHWCACHUHMOPD-FQEVSTJZSA-N 2 2 329.488 2.574 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001168297196 1106384778 /nfs/dbraw/zinc/38/47/78/1106384778.db2.gz JLIBLEGAAXOVAR-UHFFFAOYSA-N 2 2 347.528 2.558 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001168297196 1106384780 /nfs/dbraw/zinc/38/47/80/1106384780.db2.gz JLIBLEGAAXOVAR-UHFFFAOYSA-N 2 2 347.528 2.558 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989634558 1106498087 /nfs/dbraw/zinc/49/80/87/1106498087.db2.gz FNCAHHLXRBKLTE-GOEBONIOSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060480 1107382033 /nfs/dbraw/zinc/38/20/33/1107382033.db2.gz OOEBVUULICLUDN-PBHICJAKSA-N 2 2 335.879 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060480 1107382049 /nfs/dbraw/zinc/38/20/49/1107382049.db2.gz OOEBVUULICLUDN-PBHICJAKSA-N 2 2 335.879 2.693 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088770068 1108726531 /nfs/dbraw/zinc/72/65/31/1108726531.db2.gz WBZKLEKUBHVTPM-QAPCUYQASA-N 2 2 349.906 2.736 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088770068 1108726540 /nfs/dbraw/zinc/72/65/40/1108726540.db2.gz WBZKLEKUBHVTPM-QAPCUYQASA-N 2 2 349.906 2.736 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990716253 1108887241 /nfs/dbraw/zinc/88/72/41/1108887241.db2.gz XHOVWYCFOWJWRA-YLJYHZDGSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990716253 1108887243 /nfs/dbraw/zinc/88/72/43/1108887243.db2.gz XHOVWYCFOWJWRA-YLJYHZDGSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363779 1109194621 /nfs/dbraw/zinc/19/46/21/1109194621.db2.gz VGVRKNLNBAMGKQ-MRXNPFEDSA-N 2 2 328.460 2.636 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097616 1109638093 /nfs/dbraw/zinc/63/80/93/1109638093.db2.gz SKMKWRYVLQBALW-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097616 1109638095 /nfs/dbraw/zinc/63/80/95/1109638095.db2.gz SKMKWRYVLQBALW-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168367055 1110012947 /nfs/dbraw/zinc/01/29/47/1110012947.db2.gz RMMNBIHRSURMJW-SFHVURJKSA-N 2 2 344.503 2.527 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307263 1111377893 /nfs/dbraw/zinc/37/78/93/1111377893.db2.gz IIXQOQQSGQTKAH-JFIYKMOQSA-N 2 2 346.519 2.965 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106308934 1111396820 /nfs/dbraw/zinc/39/68/20/1111396820.db2.gz IGRRPPIVTMXDES-SOLBZPMBSA-N 2 2 345.487 2.672 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423354 1112107669 /nfs/dbraw/zinc/10/76/69/1112107669.db2.gz ILILBRUQIYKFRA-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423354 1112107673 /nfs/dbraw/zinc/10/76/73/1112107673.db2.gz ILILBRUQIYKFRA-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423842 1112109061 /nfs/dbraw/zinc/10/90/61/1112109061.db2.gz PDMAINHPQAHGSW-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423842 1112109063 /nfs/dbraw/zinc/10/90/63/1112109063.db2.gz PDMAINHPQAHGSW-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423843 1112109213 /nfs/dbraw/zinc/10/92/13/1112109213.db2.gz PDMAINHPQAHGSW-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423843 1112109215 /nfs/dbraw/zinc/10/92/15/1112109215.db2.gz PDMAINHPQAHGSW-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657441 1112579602 /nfs/dbraw/zinc/57/96/02/1112579602.db2.gz DBBFSDUGTGYKIP-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657441 1112579603 /nfs/dbraw/zinc/57/96/03/1112579603.db2.gz DBBFSDUGTGYKIP-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089660260 1112593231 /nfs/dbraw/zinc/59/32/31/1112593231.db2.gz GAQUXUJMQBCBFK-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089660260 1112593235 /nfs/dbraw/zinc/59/32/35/1112593235.db2.gz GAQUXUJMQBCBFK-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089660630 1112595166 /nfs/dbraw/zinc/59/51/66/1112595166.db2.gz MMMNBWABWHJNFI-HNNXBMFYSA-N 2 2 348.491 2.533 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089660630 1112595168 /nfs/dbraw/zinc/59/51/68/1112595168.db2.gz MMMNBWABWHJNFI-HNNXBMFYSA-N 2 2 348.491 2.533 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089661487 1112601104 /nfs/dbraw/zinc/60/11/04/1112601104.db2.gz XIZYICUQAGXTLN-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089661487 1112601105 /nfs/dbraw/zinc/60/11/05/1112601105.db2.gz XIZYICUQAGXTLN-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661107 1112610566 /nfs/dbraw/zinc/61/05/66/1112610566.db2.gz SMHMMCJOTYPWMI-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661107 1112610569 /nfs/dbraw/zinc/61/05/69/1112610569.db2.gz SMHMMCJOTYPWMI-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001272700623 1118533153 /nfs/dbraw/zinc/53/31/53/1118533153.db2.gz ZLXFDGCMNPOVML-GOSISDBHSA-N 2 2 344.503 2.848 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943519699 1119533947 /nfs/dbraw/zinc/53/39/47/1119533947.db2.gz YIOMXWBJKRXXAM-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943519699 1119533952 /nfs/dbraw/zinc/53/39/52/1119533952.db2.gz YIOMXWBJKRXXAM-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000181418305 234178539 /nfs/dbraw/zinc/17/85/39/234178539.db2.gz HPYVRRSGNMWPDY-UHFFFAOYSA-N 3 2 340.515 2.988 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3c4ccccc4C[C@@H]3O)CC2)cc1 ZINC000181566925 234234453 /nfs/dbraw/zinc/23/44/53/234234453.db2.gz YSCHFEFMIZJBMG-FCHUYYIVSA-N 2 2 347.462 2.771 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3nccn3C(F)F)CC2)cc1 ZINC000181614242 234252811 /nfs/dbraw/zinc/25/28/11/234252811.db2.gz MAWSVMBENCGOEW-UHFFFAOYSA-N 2 2 345.397 2.904 20 30 EFEDLP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181643463 234265736 /nfs/dbraw/zinc/26/57/36/234265736.db2.gz JUNJURSQESJMOR-UHFFFAOYSA-N 2 2 337.471 2.663 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)c3ccccc3)CC2)cc1 ZINC000181757377 234312392 /nfs/dbraw/zinc/31/23/92/234312392.db2.gz UQSLCUNEXIPSKS-NRFANRHFSA-N 2 2 335.451 2.846 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000181798461 234326071 /nfs/dbraw/zinc/32/60/71/234326071.db2.gz ULUFTJBKLXTWQE-QUCCMNQESA-N 2 2 327.472 2.663 20 30 EFEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N(C)Cc1cccc(F)c1 ZINC000262600527 240361805 /nfs/dbraw/zinc/36/18/05/240361805.db2.gz YKDVPZCYLOWAPV-UHFFFAOYSA-N 2 2 339.418 2.723 20 30 EFEDLP Cc1cnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)o1 ZINC000174131514 239219522 /nfs/dbraw/zinc/21/95/22/239219522.db2.gz RESGQTMZPDEASN-UHFFFAOYSA-N 2 2 328.416 2.806 20 30 EFEDLP N#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000194060611 240136188 /nfs/dbraw/zinc/13/61/88/240136188.db2.gz KBACGHLVLJCFKC-UHFFFAOYSA-N 2 2 336.439 2.738 20 30 EFEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000237674787 240246807 /nfs/dbraw/zinc/24/68/07/240246807.db2.gz YQKDGXMDXHFKGE-HDICACEKSA-N 2 2 345.487 2.958 20 30 EFEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000237674787 240246819 /nfs/dbraw/zinc/24/68/19/240246819.db2.gz YQKDGXMDXHFKGE-HDICACEKSA-N 2 2 345.487 2.958 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000248180800 240288496 /nfs/dbraw/zinc/28/84/96/240288496.db2.gz WJGNCKWYSVBKJM-WIYYLYMNSA-N 3 2 342.531 2.922 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000248180800 240288500 /nfs/dbraw/zinc/28/85/00/240288500.db2.gz WJGNCKWYSVBKJM-WIYYLYMNSA-N 3 2 342.531 2.922 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000261993879 240339785 /nfs/dbraw/zinc/33/97/85/240339785.db2.gz NECVWNNIMNKQAY-CYBMUJFWSA-N 2 2 344.484 2.930 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000261993879 240339791 /nfs/dbraw/zinc/33/97/91/240339791.db2.gz NECVWNNIMNKQAY-CYBMUJFWSA-N 2 2 344.484 2.930 20 30 EFEDLP C[NH+]=C(NCc1sccc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262005901 240340408 /nfs/dbraw/zinc/34/04/08/240340408.db2.gz VOZOLKXRXYMHSO-UKRRQHHQSA-N 2 2 331.489 2.912 20 30 EFEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCCS1 ZINC000262010696 240340485 /nfs/dbraw/zinc/34/04/85/240340485.db2.gz WOTIFBZUFWHSML-AWEZNQCLSA-N 2 2 347.463 2.572 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1c[nH+]ccc1OC)C(C)C ZINC000294352846 241040908 /nfs/dbraw/zinc/04/09/08/241040908.db2.gz UVCPILZSHXKNRY-QGZVFWFLSA-N 2 2 346.475 2.588 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C3CCCC3)C1)CCC2 ZINC000328654336 241213804 /nfs/dbraw/zinc/21/38/04/241213804.db2.gz LRWKLEUEGYTZTA-JKSUJKDBSA-N 2 2 345.491 2.589 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C3CCCC3)C1)CCC2 ZINC000328654336 241213808 /nfs/dbraw/zinc/21/38/08/241213808.db2.gz LRWKLEUEGYTZTA-JKSUJKDBSA-N 2 2 345.491 2.589 20 30 EFEDLP Cc1ccn2cc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)[nH+]c2c1 ZINC000328842765 241251845 /nfs/dbraw/zinc/25/18/45/241251845.db2.gz VXRXVXHLZXJNMK-QGZVFWFLSA-N 2 2 341.459 2.617 20 30 EFEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000329194717 241323811 /nfs/dbraw/zinc/32/38/11/241323811.db2.gz SBSYWBXFYWBKRN-UKRRQHHQSA-N 2 2 342.399 2.783 20 30 EFEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000329194717 241323818 /nfs/dbraw/zinc/32/38/18/241323818.db2.gz SBSYWBXFYWBKRN-UKRRQHHQSA-N 2 2 342.399 2.783 20 30 EFEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000329194714 241325456 /nfs/dbraw/zinc/32/54/56/241325456.db2.gz SBSYWBXFYWBKRN-DZGCQCFKSA-N 2 2 342.399 2.783 20 30 EFEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000329194714 241325464 /nfs/dbraw/zinc/32/54/64/241325464.db2.gz SBSYWBXFYWBKRN-DZGCQCFKSA-N 2 2 342.399 2.783 20 30 EFEDLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329125116 241307643 /nfs/dbraw/zinc/30/76/43/241307643.db2.gz SRYMANNMKPUAGS-HNNXBMFYSA-N 2 2 333.480 2.624 20 30 EFEDLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329125116 241307650 /nfs/dbraw/zinc/30/76/50/241307650.db2.gz SRYMANNMKPUAGS-HNNXBMFYSA-N 2 2 333.480 2.624 20 30 EFEDLP CN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329358637 241354583 /nfs/dbraw/zinc/35/45/83/241354583.db2.gz GGNOTPOUBVTDMF-UHFFFAOYSA-N 2 2 333.480 2.563 20 30 EFEDLP Cc1cnc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000329402870 241363202 /nfs/dbraw/zinc/36/32/02/241363202.db2.gz BYWKAOUHYWPWJE-UHFFFAOYSA-N 2 2 336.505 2.860 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000329415812 241364650 /nfs/dbraw/zinc/36/46/50/241364650.db2.gz CXZOIBLSNUHNGX-QGZVFWFLSA-N 2 2 346.475 2.639 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000329415812 241364658 /nfs/dbraw/zinc/36/46/58/241364658.db2.gz CXZOIBLSNUHNGX-QGZVFWFLSA-N 2 2 346.475 2.639 20 30 EFEDLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c[nH+]1 ZINC000354655540 242008560 /nfs/dbraw/zinc/00/85/60/242008560.db2.gz GOIOAVBPXNUMPH-HXUWFJFHSA-N 2 2 348.450 2.980 20 30 EFEDLP C#CCCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000362731527 242264614 /nfs/dbraw/zinc/26/46/14/242264614.db2.gz RJHPZIPDLSJOJC-UHFFFAOYSA-N 2 2 332.407 2.959 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OC ZINC000362967322 242269935 /nfs/dbraw/zinc/26/99/35/242269935.db2.gz PUADLYAIFXRJIE-ROUUACIJSA-N 2 2 346.471 2.603 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1OC ZINC000362967322 242269939 /nfs/dbraw/zinc/26/99/39/242269939.db2.gz PUADLYAIFXRJIE-ROUUACIJSA-N 2 2 346.471 2.603 20 30 EFEDLP C=CCCCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422188608 246292506 /nfs/dbraw/zinc/29/25/06/246292506.db2.gz SWJPHJKAYJLQHL-UHFFFAOYSA-N 2 2 336.524 2.544 20 30 EFEDLP C=CCCCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422188608 246292510 /nfs/dbraw/zinc/29/25/10/246292510.db2.gz SWJPHJKAYJLQHL-UHFFFAOYSA-N 2 2 336.524 2.544 20 30 EFEDLP CC[N@@H+]1CCO[C@@H](CNc2cc(C)[nH+]cc2C#N)[C@@H]1c1ccccc1 ZINC000425255339 247017620 /nfs/dbraw/zinc/01/76/20/247017620.db2.gz PEZAHVGOIPWDNF-PMACEKPBSA-N 2 2 336.439 2.558 20 30 EFEDLP CC[N@H+]1CCO[C@@H](CNc2cc(C)[nH+]cc2C#N)[C@@H]1c1ccccc1 ZINC000425255339 247017621 /nfs/dbraw/zinc/01/76/21/247017621.db2.gz PEZAHVGOIPWDNF-PMACEKPBSA-N 2 2 336.439 2.558 20 30 EFEDLP Cc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425226734 247006192 /nfs/dbraw/zinc/00/61/92/247006192.db2.gz IELFMCRDSNCDKU-UHFFFAOYSA-N 2 2 336.439 2.899 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000266093091 248091879 /nfs/dbraw/zinc/09/18/79/248091879.db2.gz ISKUGVYRCKJAMV-HNNXBMFYSA-N 2 2 335.517 2.725 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435614339 249385989 /nfs/dbraw/zinc/38/59/89/249385989.db2.gz FIFUCJJTFXYYHG-OAHLLOKOSA-N 2 2 333.501 2.977 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435614339 249385994 /nfs/dbraw/zinc/38/59/94/249385994.db2.gz FIFUCJJTFXYYHG-OAHLLOKOSA-N 2 2 333.501 2.977 20 30 EFEDLP N#C[C@H]1CC[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708342 250104380 /nfs/dbraw/zinc/10/43/80/250104380.db2.gz FYQUBVVILRTBKB-SFTDATJTSA-N 2 2 340.515 2.866 20 30 EFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000443999854 250246835 /nfs/dbraw/zinc/24/68/35/250246835.db2.gz FDTKXYCIJYGGRQ-FCHUYYIVSA-N 2 2 349.478 2.839 20 30 EFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000443999854 250246838 /nfs/dbraw/zinc/24/68/38/250246838.db2.gz FDTKXYCIJYGGRQ-FCHUYYIVSA-N 2 2 349.478 2.839 20 30 EFEDLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1C#N ZINC000443997774 250246967 /nfs/dbraw/zinc/24/69/67/250246967.db2.gz RJHJECFEZHCCBT-UHFFFAOYSA-N 2 2 349.482 2.826 20 30 EFEDLP COc1cccnc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449748863 251141527 /nfs/dbraw/zinc/14/15/27/251141527.db2.gz NXCQICNJSKDKFW-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000266064516 285191192 /nfs/dbraw/zinc/19/11/92/285191192.db2.gz BKMXSEUGXTUDAG-KRWDZBQOSA-N 2 2 342.487 2.704 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000266064518 285191786 /nfs/dbraw/zinc/19/17/86/285191786.db2.gz BKMXSEUGXTUDAG-QGZVFWFLSA-N 2 2 342.487 2.704 20 30 EFEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000194060585 533197233 /nfs/dbraw/zinc/19/72/33/533197233.db2.gz DTNCPJWBFPEGRI-UHFFFAOYSA-N 2 2 335.451 2.848 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000181905419 533339706 /nfs/dbraw/zinc/33/97/06/533339706.db2.gz DYWRTMSDBVUWIR-MRXNPFEDSA-N 2 2 327.472 2.927 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356572969 533499032 /nfs/dbraw/zinc/49/90/32/533499032.db2.gz HBSSQOJMOIIIOM-RTBURBONSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356572969 533499037 /nfs/dbraw/zinc/49/90/37/533499037.db2.gz HBSSQOJMOIIIOM-RTBURBONSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356572969 533499042 /nfs/dbraw/zinc/49/90/42/533499042.db2.gz HBSSQOJMOIIIOM-RTBURBONSA-N 2 2 335.536 2.997 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356572969 533499047 /nfs/dbraw/zinc/49/90/47/533499047.db2.gz HBSSQOJMOIIIOM-RTBURBONSA-N 2 2 335.536 2.997 20 30 EFEDLP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344151972 145380487 /nfs/dbraw/zinc/38/04/87/145380487.db2.gz XMOPTGMWUAHOGF-VQIMIIECSA-N 2 2 329.488 2.909 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC000344173890 145384549 /nfs/dbraw/zinc/38/45/49/145384549.db2.gz PNIFATKJAGUNMI-UHFFFAOYSA-N 2 2 327.472 2.929 20 30 EFEDLP Cc1nsc(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)c1C#N ZINC000356292481 147203405 /nfs/dbraw/zinc/20/34/05/147203405.db2.gz KDORTLBFCQMVSD-UHFFFAOYSA-N 2 2 341.484 2.781 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000356791078 147336426 /nfs/dbraw/zinc/33/64/26/147336426.db2.gz YILDJAIOCWPJQY-QFBILLFUSA-N 2 2 327.472 2.927 20 30 EFEDLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000359738174 148177108 /nfs/dbraw/zinc/17/71/08/148177108.db2.gz WPYCTCDKPATWJH-HXUWFJFHSA-N 2 2 340.471 2.696 20 30 EFEDLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000359738174 148177110 /nfs/dbraw/zinc/17/71/10/148177110.db2.gz WPYCTCDKPATWJH-HXUWFJFHSA-N 2 2 340.471 2.696 20 30 EFEDLP N#Cc1cc(F)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364200800 149091119 /nfs/dbraw/zinc/09/11/19/149091119.db2.gz WXRAPURCOBTLLE-UHFFFAOYSA-N 2 2 331.435 2.632 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248192 151308146 /nfs/dbraw/zinc/30/81/46/151308146.db2.gz AKSUWCIBYMGSJS-UTKZUKDTSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248192 151308148 /nfs/dbraw/zinc/30/81/48/151308148.db2.gz AKSUWCIBYMGSJS-UTKZUKDTSA-N 2 2 334.467 2.996 20 30 EFEDLP Cc1oc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C#N)c1C ZINC000123128796 222220834 /nfs/dbraw/zinc/22/08/34/222220834.db2.gz HLXXMQKJUXHYAE-UHFFFAOYSA-N 2 2 346.475 2.760 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCN(Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000271708075 266045698 /nfs/dbraw/zinc/04/56/98/266045698.db2.gz AFQDLKDAUBVVLA-UHFFFAOYSA-N 2 2 331.423 2.524 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNc3ccccn3)CC2)cc1 ZINC000271909093 266093608 /nfs/dbraw/zinc/09/36/08/266093608.db2.gz XLCQQADTMMGRLQ-UHFFFAOYSA-N 2 2 335.455 2.619 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277191184 267136980 /nfs/dbraw/zinc/13/69/80/267136980.db2.gz LWWSRQUNJSVMCO-CJNGLKHVSA-N 2 2 348.878 2.955 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277191184 267136981 /nfs/dbraw/zinc/13/69/81/267136981.db2.gz LWWSRQUNJSVMCO-CJNGLKHVSA-N 2 2 348.878 2.955 20 30 EFEDLP C[N@H+](CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000453413853 267305154 /nfs/dbraw/zinc/30/51/54/267305154.db2.gz WNZPGOSPVGSADI-UHFFFAOYSA-N 3 2 340.515 2.987 20 30 EFEDLP C[N@@H+](CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000453413853 267305157 /nfs/dbraw/zinc/30/51/57/267305157.db2.gz WNZPGOSPVGSADI-UHFFFAOYSA-N 3 2 340.515 2.987 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)CC3CCC3)CC2)cc1 ZINC000279785326 268065298 /nfs/dbraw/zinc/06/52/98/268065298.db2.gz LUHHRTUPBGZRBO-FQEVSTJZSA-N 2 2 327.472 2.663 20 30 EFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000269433027 268072959 /nfs/dbraw/zinc/07/29/59/268072959.db2.gz QAAAKAPODIHYAQ-RBUKOAKNSA-N 2 2 331.435 2.555 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328801404 289231149 /nfs/dbraw/zinc/23/11/49/289231149.db2.gz ZHBFBDQTINPQQZ-SJLPKXTDSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328801404 289231150 /nfs/dbraw/zinc/23/11/50/289231150.db2.gz ZHBFBDQTINPQQZ-SJLPKXTDSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328801404 289231152 /nfs/dbraw/zinc/23/11/52/289231152.db2.gz ZHBFBDQTINPQQZ-SJLPKXTDSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328801404 289231153 /nfs/dbraw/zinc/23/11/53/289231153.db2.gz ZHBFBDQTINPQQZ-SJLPKXTDSA-N 2 2 332.492 2.976 20 30 EFEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329223781 297355775 /nfs/dbraw/zinc/35/57/75/297355775.db2.gz YOCFSJIXRRUKPU-UXLLHSPISA-N 2 2 349.523 2.736 20 30 EFEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000329223781 297355778 /nfs/dbraw/zinc/35/57/78/297355778.db2.gz YOCFSJIXRRUKPU-UXLLHSPISA-N 2 2 349.523 2.736 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000564827930 318896786 /nfs/dbraw/zinc/89/67/86/318896786.db2.gz AADZHPXFJPQQSC-LEWJYISDSA-N 3 2 338.499 2.500 20 30 EFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127131 320079957 /nfs/dbraw/zinc/07/99/57/320079957.db2.gz ARERZFXIPSGAKA-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127131 320079960 /nfs/dbraw/zinc/07/99/60/320079960.db2.gz ARERZFXIPSGAKA-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127131 320079961 /nfs/dbraw/zinc/07/99/61/320079961.db2.gz ARERZFXIPSGAKA-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000577127131 320079963 /nfs/dbraw/zinc/07/99/63/320079963.db2.gz ARERZFXIPSGAKA-IBGZPJMESA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000083035965 473317762 /nfs/dbraw/zinc/31/77/62/473317762.db2.gz ZYIWGIDBAGFYHP-QZTJIDSGSA-N 2 2 338.455 2.717 20 30 EFEDLP N#C[C@H](c1ccccc1)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000125234065 473379272 /nfs/dbraw/zinc/37/92/72/473379272.db2.gz KTLXIZSMPQUNDT-HXUWFJFHSA-N 2 2 326.488 2.745 20 30 EFEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000067122480 471994450 /nfs/dbraw/zinc/99/44/50/471994450.db2.gz YVMNXCJWCZWVCJ-LJQANCHMSA-N 2 2 345.487 2.552 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000118984584 472517116 /nfs/dbraw/zinc/51/71/16/472517116.db2.gz OEQBDPJAYCCBTQ-LJQANCHMSA-N 2 2 332.488 2.617 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000118984511 472517130 /nfs/dbraw/zinc/51/71/30/472517130.db2.gz OEQBDPJAYCCBTQ-IBGZPJMESA-N 2 2 332.488 2.617 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000104154760 472659894 /nfs/dbraw/zinc/65/98/94/472659894.db2.gz FZQLODDPTYCLKG-CYBMUJFWSA-N 2 2 348.472 2.795 20 30 EFEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000061758747 472718578 /nfs/dbraw/zinc/71/85/78/472718578.db2.gz SJRYNWYAAJBGQJ-UHFFFAOYSA-N 2 2 329.488 2.537 20 30 EFEDLP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000061758747 472718585 /nfs/dbraw/zinc/71/85/85/472718585.db2.gz SJRYNWYAAJBGQJ-UHFFFAOYSA-N 2 2 329.488 2.537 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156561777 472725124 /nfs/dbraw/zinc/72/51/24/472725124.db2.gz NMGUDVLXVGKVRY-MPGHIAIKSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156561777 472725131 /nfs/dbraw/zinc/72/51/31/472725131.db2.gz NMGUDVLXVGKVRY-MPGHIAIKSA-N 2 2 337.427 2.665 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3[nH+]c2CC)CC1 ZINC000106038914 472820924 /nfs/dbraw/zinc/82/09/24/472820924.db2.gz CLMKKMMXNPVCPA-UHFFFAOYSA-N 2 2 340.471 2.755 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCN(Cc3c[nH+]c4ccccn34)CC2)cc1 ZINC000157525301 472829880 /nfs/dbraw/zinc/82/98/80/472829880.db2.gz JYCREGBDUYJOCR-UHFFFAOYSA-N 2 2 345.450 2.914 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCN(Cc3c[nH+]c4ccccn34)CC2)cc1 ZINC000157525301 472829881 /nfs/dbraw/zinc/82/98/81/472829881.db2.gz JYCREGBDUYJOCR-UHFFFAOYSA-N 2 2 345.450 2.914 20 30 EFEDLP CN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1(C#N)CCCCC1 ZINC000157532154 472830049 /nfs/dbraw/zinc/83/00/49/472830049.db2.gz ZJWGAZZCLSWRNF-GOSISDBHSA-N 2 2 346.519 2.622 20 30 EFEDLP CN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1(C#N)CCCCC1 ZINC000157532154 472830056 /nfs/dbraw/zinc/83/00/56/472830056.db2.gz ZJWGAZZCLSWRNF-GOSISDBHSA-N 2 2 346.519 2.622 20 30 EFEDLP C=CCOc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079334 472854635 /nfs/dbraw/zinc/85/46/35/472854635.db2.gz QQCZLQFIFPJNIC-KRWDZBQOSA-N 2 2 330.472 2.937 20 30 EFEDLP C=CCOc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079334 472854641 /nfs/dbraw/zinc/85/46/41/472854641.db2.gz QQCZLQFIFPJNIC-KRWDZBQOSA-N 2 2 330.472 2.937 20 30 EFEDLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCCCC#N ZINC000064613955 472865709 /nfs/dbraw/zinc/86/57/09/472865709.db2.gz ZYRWPAUJRJHFGG-OAHLLOKOSA-N 2 2 328.416 2.753 20 30 EFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093016997 473028050 /nfs/dbraw/zinc/02/80/50/473028050.db2.gz YRGMQHKOAJVZCI-IBGZPJMESA-N 2 2 330.472 2.796 20 30 EFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093016997 473028056 /nfs/dbraw/zinc/02/80/56/473028056.db2.gz YRGMQHKOAJVZCI-IBGZPJMESA-N 2 2 330.472 2.796 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959375 473111077 /nfs/dbraw/zinc/11/10/77/473111077.db2.gz XSKRHTFCVIFGLZ-CYBMUJFWSA-N 2 2 343.818 2.753 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959375 473111087 /nfs/dbraw/zinc/11/10/87/473111087.db2.gz XSKRHTFCVIFGLZ-CYBMUJFWSA-N 2 2 343.818 2.753 20 30 EFEDLP N#C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000185770610 473509553 /nfs/dbraw/zinc/50/95/53/473509553.db2.gz YGLNFIVZRAKDSL-OALUTQOASA-N 2 2 326.488 2.871 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135513 473598073 /nfs/dbraw/zinc/59/80/73/473598073.db2.gz WUXKULQHHLWZDM-PMACEKPBSA-N 2 2 347.547 2.976 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135513 473598077 /nfs/dbraw/zinc/59/80/77/473598077.db2.gz WUXKULQHHLWZDM-PMACEKPBSA-N 2 2 347.547 2.976 20 30 EFEDLP C[NH+]=C(NCCSC(F)(F)F)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179225588 473658223 /nfs/dbraw/zinc/65/82/23/473658223.db2.gz HFBVNTOQPQRDJY-RYUDHWBXSA-N 2 2 349.426 2.594 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357726 473673500 /nfs/dbraw/zinc/67/35/00/473673500.db2.gz MBXXLSZISPKASI-NRFANRHFSA-N 2 2 335.451 2.939 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357726 473673501 /nfs/dbraw/zinc/67/35/01/473673501.db2.gz MBXXLSZISPKASI-NRFANRHFSA-N 2 2 335.451 2.939 20 30 EFEDLP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000263228161 473745279 /nfs/dbraw/zinc/74/52/79/473745279.db2.gz HGEWZJGUMTWTBF-IYBDPMFKSA-N 2 2 332.492 2.918 20 30 EFEDLP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000263228161 473745287 /nfs/dbraw/zinc/74/52/87/473745287.db2.gz HGEWZJGUMTWTBF-IYBDPMFKSA-N 2 2 332.492 2.918 20 30 EFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2ccccc21 ZINC000263271600 473746510 /nfs/dbraw/zinc/74/65/10/473746510.db2.gz XAYPEIKSJKOOIL-UHFFFAOYSA-N 2 2 337.471 2.790 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179995691 473772867 /nfs/dbraw/zinc/77/28/67/473772867.db2.gz XKJNPJKDBVJVIC-LJQANCHMSA-N 2 2 340.471 2.516 20 30 EFEDLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180010278 473775701 /nfs/dbraw/zinc/77/57/01/473775701.db2.gz FQMBLEYVUIOMHZ-UHFFFAOYSA-N 2 2 346.438 2.992 20 30 EFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000269423334 473807643 /nfs/dbraw/zinc/80/76/43/473807643.db2.gz MMYVBTREECFJET-UHFFFAOYSA-N 2 2 339.414 2.819 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000246271123 473811972 /nfs/dbraw/zinc/81/19/72/473811972.db2.gz AOPGMESYAPSYOB-HNAYVOBHSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000246271123 473811979 /nfs/dbraw/zinc/81/19/79/473811979.db2.gz AOPGMESYAPSYOB-HNAYVOBHSA-N 2 2 333.451 2.924 20 30 EFEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C#N)cc3F)[nH+]c2)C1 ZINC000269536836 473826918 /nfs/dbraw/zinc/82/69/18/473826918.db2.gz YTKUXAWPQLFIKA-QGZVFWFLSA-N 2 2 339.418 2.845 20 30 EFEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1C#N ZINC000281834542 473853285 /nfs/dbraw/zinc/85/32/85/473853285.db2.gz YACGAPQGCNJZKB-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000264106092 473950526 /nfs/dbraw/zinc/95/05/26/473950526.db2.gz NWCNRHYMMRWVLQ-IBGZPJMESA-N 2 2 345.535 2.809 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865314 473988016 /nfs/dbraw/zinc/98/80/16/473988016.db2.gz LGGDQHIXYTXJIN-WMLDXEAASA-N 2 2 346.862 2.566 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865314 473988021 /nfs/dbraw/zinc/98/80/21/473988021.db2.gz LGGDQHIXYTXJIN-WMLDXEAASA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865314 473988027 /nfs/dbraw/zinc/98/80/27/473988027.db2.gz LGGDQHIXYTXJIN-WMLDXEAASA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865314 473988035 /nfs/dbraw/zinc/98/80/35/473988035.db2.gz LGGDQHIXYTXJIN-WMLDXEAASA-N 2 2 346.862 2.566 20 30 EFEDLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1C#N ZINC000174284576 474017710 /nfs/dbraw/zinc/01/77/10/474017710.db2.gz OEVNWLPYRXJTHU-UHFFFAOYSA-N 2 2 333.395 2.746 20 30 EFEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349861 474032688 /nfs/dbraw/zinc/03/26/88/474032688.db2.gz AKYQRGXXPOVFTN-OALUTQOASA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349861 474032690 /nfs/dbraw/zinc/03/26/90/474032690.db2.gz AKYQRGXXPOVFTN-OALUTQOASA-N 2 2 341.499 2.664 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772878 474209083 /nfs/dbraw/zinc/20/90/83/474209083.db2.gz WIYMBSCCCKEWDL-RVKKMQEKSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772878 474209088 /nfs/dbraw/zinc/20/90/88/474209088.db2.gz WIYMBSCCCKEWDL-RVKKMQEKSA-N 2 2 337.427 2.665 20 30 EFEDLP Cc1nnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000289806880 474434890 /nfs/dbraw/zinc/43/48/90/474434890.db2.gz OFPRNAMGSVXPPG-UHFFFAOYSA-N 2 2 341.484 2.515 20 30 EFEDLP C=C[C@H](CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000289919309 474485689 /nfs/dbraw/zinc/48/56/89/474485689.db2.gz SEVVRQDTWZVKOV-QGZVFWFLSA-N 2 2 337.423 2.858 20 30 EFEDLP CO[C@H](C)c1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cs1 ZINC000267020213 474567730 /nfs/dbraw/zinc/56/77/30/474567730.db2.gz QNULETQDWJZHIP-GFCCVEGCSA-N 2 2 348.472 2.749 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277061062 474577645 /nfs/dbraw/zinc/57/76/45/474577645.db2.gz DCPSIABEUVDNCE-QZTJIDSGSA-N 2 2 342.487 2.738 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277061062 474577653 /nfs/dbraw/zinc/57/76/53/474577653.db2.gz DCPSIABEUVDNCE-QZTJIDSGSA-N 2 2 342.487 2.738 20 30 EFEDLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000271871499 474597293 /nfs/dbraw/zinc/59/72/93/474597293.db2.gz MVGUYHCEWJNVOA-LJQANCHMSA-N 2 2 339.439 2.747 20 30 EFEDLP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305783185 474781031 /nfs/dbraw/zinc/78/10/31/474781031.db2.gz QBXYBQXZGANKPJ-UZLBHIALSA-N 2 2 329.488 2.909 20 30 EFEDLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OCCCC#N ZINC000268117549 474806941 /nfs/dbraw/zinc/80/69/41/474806941.db2.gz LBAWPPQDIGHKIW-CRAIPNDOSA-N 2 2 343.471 2.950 20 30 EFEDLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OCCCC#N ZINC000268117549 474806948 /nfs/dbraw/zinc/80/69/48/474806948.db2.gz LBAWPPQDIGHKIW-CRAIPNDOSA-N 2 2 343.471 2.950 20 30 EFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278749169 474811097 /nfs/dbraw/zinc/81/10/97/474811097.db2.gz ARGIUPWXCCUNKK-UHFFFAOYSA-N 2 2 342.487 2.599 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337277844 474851975 /nfs/dbraw/zinc/85/19/75/474851975.db2.gz RYVNDABNJWZWPW-CQSZACIVSA-N 2 2 348.878 2.956 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337277844 474851987 /nfs/dbraw/zinc/85/19/87/474851987.db2.gz RYVNDABNJWZWPW-CQSZACIVSA-N 2 2 348.878 2.956 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900779 474903233 /nfs/dbraw/zinc/90/32/33/474903233.db2.gz ZHXHWJMJVNHFEB-RTBURBONSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900779 474903238 /nfs/dbraw/zinc/90/32/38/474903238.db2.gz ZHXHWJMJVNHFEB-RTBURBONSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[N@@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101463 474926571 /nfs/dbraw/zinc/92/65/71/474926571.db2.gz AEIURZFDXYNSSP-ISARSNTHSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[N@H+]1CCC[C@H](C[NH+](C)[C@@H]2CC[C@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101463 474926578 /nfs/dbraw/zinc/92/65/78/474926578.db2.gz AEIURZFDXYNSSP-ISARSNTHSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101463 474926587 /nfs/dbraw/zinc/92/65/87/474926587.db2.gz AEIURZFDXYNSSP-ISARSNTHSA-N 2 2 329.492 2.817 20 30 EFEDLP CC[NH+]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)[C@H]1c1cnn(C)c1 ZINC000339101463 474926591 /nfs/dbraw/zinc/92/65/91/474926591.db2.gz AEIURZFDXYNSSP-ISARSNTHSA-N 2 2 329.492 2.817 20 30 EFEDLP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000328590429 475034153 /nfs/dbraw/zinc/03/41/53/475034153.db2.gz NXAXEIQDHOVKNU-IBGZPJMESA-N 2 2 345.487 2.638 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000268564431 475035548 /nfs/dbraw/zinc/03/55/48/475035548.db2.gz PRVZMCVWBZZFBK-UXHICEINSA-N 2 2 326.488 2.743 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000268564431 475035552 /nfs/dbraw/zinc/03/55/52/475035552.db2.gz PRVZMCVWBZZFBK-UXHICEINSA-N 2 2 326.488 2.743 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000273829715 475070040 /nfs/dbraw/zinc/07/00/40/475070040.db2.gz YNAJWQIZKDBEJL-HXUWFJFHSA-N 2 2 339.487 2.958 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000295066104 475102679 /nfs/dbraw/zinc/10/26/79/475102679.db2.gz ROCILGKPNMYLMY-LLVKDONJSA-N 2 2 328.229 2.589 20 30 EFEDLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329932735 475165681 /nfs/dbraw/zinc/16/56/81/475165681.db2.gz PRMCZWKDMKGTGP-ZWKOTPCHSA-N 2 2 338.455 2.924 20 30 EFEDLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329932735 475165686 /nfs/dbraw/zinc/16/56/86/475165686.db2.gz PRMCZWKDMKGTGP-ZWKOTPCHSA-N 2 2 338.455 2.924 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000330359952 475236753 /nfs/dbraw/zinc/23/67/53/475236753.db2.gz WNXRZSIQPHZFJG-KRWDZBQOSA-N 2 2 346.475 2.639 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000330359952 475236762 /nfs/dbraw/zinc/23/67/62/475236762.db2.gz WNXRZSIQPHZFJG-KRWDZBQOSA-N 2 2 346.475 2.639 20 30 EFEDLP C=C1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CC1 ZINC000341991591 475484039 /nfs/dbraw/zinc/48/40/39/475484039.db2.gz AXBGDPGWOGFICH-UHFFFAOYSA-N 2 2 341.499 2.681 20 30 EFEDLP C=C1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CC1 ZINC000341991591 475484046 /nfs/dbraw/zinc/48/40/46/475484046.db2.gz AXBGDPGWOGFICH-UHFFFAOYSA-N 2 2 341.499 2.681 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000346702313 475777363 /nfs/dbraw/zinc/77/73/63/475777363.db2.gz UBKJUIKHDHEIGV-HYVNUMGLSA-N 2 2 342.462 2.881 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1 ZINC000346702313 475777368 /nfs/dbraw/zinc/77/73/68/475777368.db2.gz UBKJUIKHDHEIGV-HYVNUMGLSA-N 2 2 342.462 2.881 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000362035708 475954160 /nfs/dbraw/zinc/95/41/60/475954160.db2.gz DQNPWPPSUYGWEA-UXHICEINSA-N 2 2 325.456 2.680 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372965407 476366783 /nfs/dbraw/zinc/36/67/83/476366783.db2.gz MIAWTUPQBMHODF-NRGCRIOASA-N 2 2 348.535 2.722 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372965407 476366787 /nfs/dbraw/zinc/36/67/87/476366787.db2.gz MIAWTUPQBMHODF-NRGCRIOASA-N 2 2 348.535 2.722 20 30 EFEDLP C#CCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000373758978 476425362 /nfs/dbraw/zinc/42/53/62/476425362.db2.gz SOJOJIGMAVIZRE-UHFFFAOYSA-N 2 2 345.531 2.635 20 30 EFEDLP C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369605502 476435344 /nfs/dbraw/zinc/43/53/44/476435344.db2.gz LDVBVSZSVMODNW-KRWDZBQOSA-N 2 2 336.524 2.543 20 30 EFEDLP C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369605502 476435351 /nfs/dbraw/zinc/43/53/51/476435351.db2.gz LDVBVSZSVMODNW-KRWDZBQOSA-N 2 2 336.524 2.543 20 30 EFEDLP C#CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000364390319 476526150 /nfs/dbraw/zinc/52/61/50/476526150.db2.gz ZJXRYVDEQGLOGJ-IBGZPJMESA-N 2 2 345.531 2.587 20 30 EFEDLP C#CCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000364390319 476526159 /nfs/dbraw/zinc/52/61/59/476526159.db2.gz ZJXRYVDEQGLOGJ-IBGZPJMESA-N 2 2 345.531 2.587 20 30 EFEDLP C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147399 476678666 /nfs/dbraw/zinc/67/86/66/476678666.db2.gz CEHMDJOUMFHIHU-YLJYHZDGSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147399 476678668 /nfs/dbraw/zinc/67/86/68/476678668.db2.gz CEHMDJOUMFHIHU-YLJYHZDGSA-N 2 2 345.918 2.649 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430625832 476883858 /nfs/dbraw/zinc/88/38/58/476883858.db2.gz LIWPRJXDRFHBIR-CVEARBPZSA-N 2 2 335.517 2.583 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430625832 476883865 /nfs/dbraw/zinc/88/38/65/476883865.db2.gz LIWPRJXDRFHBIR-CVEARBPZSA-N 2 2 335.517 2.583 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])CC)cc1OC ZINC000414988254 476904824 /nfs/dbraw/zinc/90/48/24/476904824.db2.gz ZMCMHKOZJYCRHT-LBPRGKRZSA-N 2 2 343.265 2.849 20 30 EFEDLP C=CCc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc(OC)c1O ZINC000415057886 476908478 /nfs/dbraw/zinc/90/84/78/476908478.db2.gz VAHLAWXQLFLICD-RBUKOAKNSA-N 2 2 338.451 2.975 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423218984 476967317 /nfs/dbraw/zinc/96/73/17/476967317.db2.gz SWMJMEMSLXDMGV-LPHOPBHVSA-N 3 2 326.488 2.500 20 30 EFEDLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1C#N ZINC000366926856 477261324 /nfs/dbraw/zinc/26/13/24/477261324.db2.gz KJLAJJPLYBPGJD-UHFFFAOYSA-N 2 2 333.395 2.746 20 30 EFEDLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424130690 477301057 /nfs/dbraw/zinc/30/10/57/477301057.db2.gz HPINAFZEPJLWIC-RHSMWYFYSA-N 2 2 348.878 2.566 20 30 EFEDLP C[C@H]1CN(c2cccc(Cl)c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450420572 477594214 /nfs/dbraw/zinc/59/42/14/477594214.db2.gz QWURRYJGUYUYEG-AWEZNQCLSA-N 2 2 332.879 2.816 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H](CO)C3)CC2)cc1 ZINC000367668688 477627688 /nfs/dbraw/zinc/62/76/88/477627688.db2.gz JKTDWHPMVULRST-VQTJNVASSA-N 2 2 341.499 2.911 20 30 EFEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437096415 477670955 /nfs/dbraw/zinc/67/09/55/477670955.db2.gz LWQAALAPOACSSX-LTDKPHRXSA-N 2 2 328.460 2.573 20 30 EFEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437096415 477670960 /nfs/dbraw/zinc/67/09/60/477670960.db2.gz LWQAALAPOACSSX-LTDKPHRXSA-N 2 2 328.460 2.573 20 30 EFEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437096411 477671202 /nfs/dbraw/zinc/67/12/02/477671202.db2.gz LWQAALAPOACSSX-IWCVFHTOSA-N 2 2 328.460 2.573 20 30 EFEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437096411 477671204 /nfs/dbraw/zinc/67/12/04/477671204.db2.gz LWQAALAPOACSSX-IWCVFHTOSA-N 2 2 328.460 2.573 20 30 EFEDLP C=CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420008 477795394 /nfs/dbraw/zinc/79/53/94/477795394.db2.gz FRJGXOYTHUFOHW-UYAOXDASSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420008 477795399 /nfs/dbraw/zinc/79/53/99/477795399.db2.gz FRJGXOYTHUFOHW-UYAOXDASSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399366 477862449 /nfs/dbraw/zinc/86/24/49/477862449.db2.gz IWDOLZWFIYULAZ-HOTGVXAUSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558399366 477862456 /nfs/dbraw/zinc/86/24/56/477862456.db2.gz IWDOLZWFIYULAZ-HOTGVXAUSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558399366 477862463 /nfs/dbraw/zinc/86/24/63/477862463.db2.gz IWDOLZWFIYULAZ-HOTGVXAUSA-N 2 2 335.517 2.501 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000558399366 477862472 /nfs/dbraw/zinc/86/24/72/477862472.db2.gz IWDOLZWFIYULAZ-HOTGVXAUSA-N 2 2 335.517 2.501 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)c1 ZINC000531427034 477903970 /nfs/dbraw/zinc/90/39/70/477903970.db2.gz AOJNTNHORNXLLN-UHFFFAOYSA-N 2 2 334.383 2.642 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000439448950 477978873 /nfs/dbraw/zinc/97/88/73/477978873.db2.gz HJYZNUOFZNQZTD-BEFAXECRSA-N 2 2 346.906 2.669 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000439448950 477978883 /nfs/dbraw/zinc/97/88/83/477978883.db2.gz HJYZNUOFZNQZTD-BEFAXECRSA-N 2 2 346.906 2.669 20 30 EFEDLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCCCC#N ZINC000494413615 477980838 /nfs/dbraw/zinc/98/08/38/477980838.db2.gz TXMSQTZJIZQULF-MRXNPFEDSA-N 2 2 340.427 2.679 20 30 EFEDLP C=C(C)COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000494442388 477987109 /nfs/dbraw/zinc/98/71/09/477987109.db2.gz DDHJKXQQJPPUSR-INIZCTEOSA-N 2 2 327.428 2.951 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495751635 478300982 /nfs/dbraw/zinc/30/09/82/478300982.db2.gz AUKVLCDVSSTXDL-LSDHHAIUSA-N 2 2 325.497 2.918 20 30 EFEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC000570325288 478334946 /nfs/dbraw/zinc/33/49/46/478334946.db2.gz GKBYIHLTFPJBSC-KRWDZBQOSA-N 2 2 349.438 2.848 20 30 EFEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC000570325288 478334951 /nfs/dbraw/zinc/33/49/51/478334951.db2.gz GKBYIHLTFPJBSC-KRWDZBQOSA-N 2 2 349.438 2.848 20 30 EFEDLP CC(C)(C)OC(=O)N1CC(F)(F)CC1=C[NH2+]Nc1cc[nH+]cc1 ZINC000495906582 478400630 /nfs/dbraw/zinc/40/06/30/478400630.db2.gz STGQJTBUVIXNQO-GFCCVEGCSA-N 2 2 326.347 2.546 20 30 EFEDLP Cc1ncncc1[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594507444 478418180 /nfs/dbraw/zinc/41/81/80/478418180.db2.gz NLKRWIWIYLVGAR-INIZCTEOSA-N 2 2 335.455 2.972 20 30 EFEDLP C=CCCSCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000594659574 478482727 /nfs/dbraw/zinc/48/27/27/478482727.db2.gz FRFLRHWMXMBWNA-UHFFFAOYSA-N 2 2 326.429 2.932 20 30 EFEDLP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N ZINC000600775156 478515268 /nfs/dbraw/zinc/51/52/68/478515268.db2.gz LHUOBKSQLSCZKB-ZIAGYGMSSA-N 2 2 327.350 2.526 20 30 EFEDLP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N ZINC000600775156 478515276 /nfs/dbraw/zinc/51/52/76/478515276.db2.gz LHUOBKSQLSCZKB-ZIAGYGMSSA-N 2 2 327.350 2.526 20 30 EFEDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000591377411 478538666 /nfs/dbraw/zinc/53/86/66/478538666.db2.gz RUGWIQQEHQWANC-XUVXKRRUSA-N 2 2 340.471 2.557 20 30 EFEDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000591377411 478538671 /nfs/dbraw/zinc/53/86/71/478538671.db2.gz RUGWIQQEHQWANC-XUVXKRRUSA-N 2 2 340.471 2.557 20 30 EFEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572075 478583582 /nfs/dbraw/zinc/58/35/82/478583582.db2.gz PHDQKURYAQNUCS-WEOZKBJRSA-N 2 2 343.471 2.605 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591765715 478625481 /nfs/dbraw/zinc/62/54/81/478625481.db2.gz BVJSGWBEZQRVIZ-SFHVURJKSA-N 2 2 343.858 2.794 20 30 EFEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591765715 478625486 /nfs/dbraw/zinc/62/54/86/478625486.db2.gz BVJSGWBEZQRVIZ-SFHVURJKSA-N 2 2 343.858 2.794 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCn4nccc43)CC2)c1 ZINC000595046159 478640418 /nfs/dbraw/zinc/64/04/18/478640418.db2.gz JCISANLTSRKDHI-LJQANCHMSA-N 2 2 335.455 2.844 20 30 EFEDLP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592375508 478873301 /nfs/dbraw/zinc/87/33/01/478873301.db2.gz SLLXNSUJZGFKRK-OXJNMPFZSA-N 2 2 329.488 2.909 20 30 EFEDLP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592375506 478873558 /nfs/dbraw/zinc/87/35/58/478873558.db2.gz SLLXNSUJZGFKRK-JXFKEZNVSA-N 2 2 329.488 2.909 20 30 EFEDLP N#CC[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623611 478896027 /nfs/dbraw/zinc/89/60/27/478896027.db2.gz VJMFQDYRZRQWJL-WOJBJXKFSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623611 478896032 /nfs/dbraw/zinc/89/60/32/478896032.db2.gz VJMFQDYRZRQWJL-WOJBJXKFSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623611 478896037 /nfs/dbraw/zinc/89/60/37/478896037.db2.gz VJMFQDYRZRQWJL-WOJBJXKFSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623611 478896040 /nfs/dbraw/zinc/89/60/40/478896040.db2.gz VJMFQDYRZRQWJL-WOJBJXKFSA-N 2 2 327.472 2.903 20 30 EFEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCC1 ZINC000598727856 478993508 /nfs/dbraw/zinc/99/35/08/478993508.db2.gz KIAZLHAKGCGXOO-GOSISDBHSA-N 2 2 329.488 2.931 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCC1 ZINC000598727856 478993517 /nfs/dbraw/zinc/99/35/17/478993517.db2.gz KIAZLHAKGCGXOO-GOSISDBHSA-N 2 2 329.488 2.931 20 30 EFEDLP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000598991198 479118113 /nfs/dbraw/zinc/11/81/13/479118113.db2.gz MBYLBLUOSSIBNI-FQEVSTJZSA-N 2 2 329.488 2.909 20 30 EFEDLP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316967 479291363 /nfs/dbraw/zinc/29/13/63/479291363.db2.gz DFASPPDICLCMOV-AEFFLSMTSA-N 3 2 326.488 2.500 20 30 EFEDLP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316970 479291609 /nfs/dbraw/zinc/29/16/09/479291609.db2.gz DFASPPDICLCMOV-SJLPKXTDSA-N 3 2 326.488 2.500 20 30 EFEDLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593322627 479294914 /nfs/dbraw/zinc/29/49/14/479294914.db2.gz OGRMXBDVQJRVPD-OXQOHEQNSA-N 3 2 326.488 2.643 20 30 EFEDLP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000593324709 479296647 /nfs/dbraw/zinc/29/66/47/479296647.db2.gz YSIKPKZGYVTGPF-WOJBJXKFSA-N 2 2 326.488 2.772 20 30 EFEDLP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000593324707 479296948 /nfs/dbraw/zinc/29/69/48/479296948.db2.gz YSIKPKZGYVTGPF-UXHICEINSA-N 2 2 326.488 2.772 20 30 EFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000611409702 479370309 /nfs/dbraw/zinc/37/03/09/479370309.db2.gz RRZYXSCKNHAJKG-OAHLLOKOSA-N 2 2 329.444 2.626 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000602505231 479371974 /nfs/dbraw/zinc/37/19/74/479371974.db2.gz VVCRFGCLTMKXPQ-MJGOQNOKSA-N 2 2 329.488 2.848 20 30 EFEDLP CCc1nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(C)[nH+]1 ZINC000593515980 479373968 /nfs/dbraw/zinc/37/39/68/479373968.db2.gz VKFFGLUQWYIZNC-UHFFFAOYSA-N 2 2 335.455 2.718 20 30 EFEDLP C[C@@H](CCC#N)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000602586403 479411658 /nfs/dbraw/zinc/41/16/58/479411658.db2.gz BKJYZFIQOZAESW-HNNXBMFYSA-N 2 2 341.459 2.789 20 30 EFEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552670 479412638 /nfs/dbraw/zinc/41/26/38/479412638.db2.gz IAKCTTUALUFGBH-LJQANCHMSA-N 2 2 341.434 2.603 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552035 479412763 /nfs/dbraw/zinc/41/27/63/479412763.db2.gz ZYNSLVHLMYRLPG-PMACEKPBSA-N 2 2 344.478 2.882 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552035 479412768 /nfs/dbraw/zinc/41/27/68/479412768.db2.gz ZYNSLVHLMYRLPG-PMACEKPBSA-N 2 2 344.478 2.882 20 30 EFEDLP C[C@]1(C#N)CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602606769 479419760 /nfs/dbraw/zinc/41/97/60/479419760.db2.gz GPYKJIUFXZOJNS-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C[C@]1(C#N)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602606769 479419763 /nfs/dbraw/zinc/41/97/63/479419763.db2.gz GPYKJIUFXZOJNS-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C[C@@H]1C[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000593693321 479424872 /nfs/dbraw/zinc/42/48/72/479424872.db2.gz UHTHXPWSKLGUKF-UZLBHIALSA-N 2 2 338.499 2.737 20 30 EFEDLP C[C@@H]1C[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000593693321 479424875 /nfs/dbraw/zinc/42/48/75/479424875.db2.gz UHTHXPWSKLGUKF-UZLBHIALSA-N 2 2 338.499 2.737 20 30 EFEDLP CCc1nn(C)cc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693185 479425648 /nfs/dbraw/zinc/42/56/48/479425648.db2.gz RQHOPKOVOLXMLF-UHFFFAOYSA-N 2 2 337.471 2.608 20 30 EFEDLP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593720645 479434525 /nfs/dbraw/zinc/43/45/25/479434525.db2.gz IXUDEWCWBVAJER-HXUWFJFHSA-N 2 2 349.482 2.923 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723718 479435159 /nfs/dbraw/zinc/43/51/59/479435159.db2.gz YBOMRUQIXJUBKN-JXFKEZNVSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723718 479435164 /nfs/dbraw/zinc/43/51/64/479435164.db2.gz YBOMRUQIXJUBKN-JXFKEZNVSA-N 3 2 326.488 2.595 20 30 EFEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)CC3(C#N)CCOCC3)cn21 ZINC000602699947 479485427 /nfs/dbraw/zinc/48/54/27/479485427.db2.gz PRKHCISSFDLWBD-OAHLLOKOSA-N 2 2 326.444 2.874 20 30 EFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000597010169 479533516 /nfs/dbraw/zinc/53/35/16/479533516.db2.gz UYTJRGGBZZIYFV-UHFFFAOYSA-N 2 2 346.519 2.525 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000610368870 480291435 /nfs/dbraw/zinc/29/14/35/480291435.db2.gz YDXHPARWQOVBNV-INIZCTEOSA-N 2 2 334.383 2.642 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000610368870 480291441 /nfs/dbraw/zinc/29/14/41/480291441.db2.gz YDXHPARWQOVBNV-INIZCTEOSA-N 2 2 334.383 2.642 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638523471 480763935 /nfs/dbraw/zinc/76/39/35/480763935.db2.gz BHQCIMZDJVTQGR-UHFFFAOYSA-N 2 2 332.488 2.968 20 30 EFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784332 481073229 /nfs/dbraw/zinc/07/32/29/481073229.db2.gz BVVFVTLCPKDQHJ-AQNXPRMDSA-N 2 2 335.536 2.508 20 30 EFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784334 481073598 /nfs/dbraw/zinc/07/35/98/481073598.db2.gz BVVFVTLCPKDQHJ-VAMGGRTRSA-N 2 2 335.536 2.508 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647938663 481196931 /nfs/dbraw/zinc/19/69/31/481196931.db2.gz RGDNXGCSTGMJMR-ZOBUZTSGSA-N 2 2 335.517 2.710 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647938663 481196940 /nfs/dbraw/zinc/19/69/40/481196940.db2.gz RGDNXGCSTGMJMR-ZOBUZTSGSA-N 2 2 335.517 2.710 20 30 EFEDLP C=CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC1 ZINC000661851909 481362834 /nfs/dbraw/zinc/36/28/34/481362834.db2.gz IBQGDZBOQCLTSJ-UHFFFAOYSA-N 2 2 347.528 2.871 20 30 EFEDLP C=CCN1CC[C@H]([NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)C1=O ZINC000660857323 482182966 /nfs/dbraw/zinc/18/29/66/482182966.db2.gz LDYHZWDRRNLEQU-SFHVURJKSA-N 2 2 338.455 2.604 20 30 EFEDLP C=CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239017 482387146 /nfs/dbraw/zinc/38/71/46/482387146.db2.gz BUVQQFPSVZIIBH-ICSRJNTNSA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239017 482387150 /nfs/dbraw/zinc/38/71/50/482387150.db2.gz BUVQQFPSVZIIBH-ICSRJNTNSA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239017 482387160 /nfs/dbraw/zinc/38/71/60/482387160.db2.gz BUVQQFPSVZIIBH-ICSRJNTNSA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](C)COC ZINC000661242502 482387549 /nfs/dbraw/zinc/38/75/49/482387549.db2.gz BLYYGOYZHJXGTG-DLBZAZTESA-N 2 2 331.460 2.537 20 30 EFEDLP C=CCC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000663877362 482415218 /nfs/dbraw/zinc/41/52/18/482415218.db2.gz VPUGLKYXXRMRLZ-UHFFFAOYSA-N 2 2 348.535 2.733 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000181905397 533808723 /nfs/dbraw/zinc/80/87/23/533808723.db2.gz DYWRTMSDBVUWIR-INIZCTEOSA-N 2 2 327.472 2.927 20 30 EFEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000181459752 533871337 /nfs/dbraw/zinc/87/13/37/533871337.db2.gz YRTJOCXHKFUFCV-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)o3)c2)CCO1 ZINC000174304528 533955879 /nfs/dbraw/zinc/95/58/79/533955879.db2.gz ZTEAMZNJEUJRRN-HNNXBMFYSA-N 2 2 325.412 2.662 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)o3)c2)CCO1 ZINC000174304528 533955885 /nfs/dbraw/zinc/95/58/85/533955885.db2.gz ZTEAMZNJEUJRRN-HNNXBMFYSA-N 2 2 325.412 2.662 20 30 EFEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cn1cc[nH+]c1 ZINC000181617262 534053881 /nfs/dbraw/zinc/05/38/81/534053881.db2.gz BFWWKLLOMAJCGI-KRWDZBQOSA-N 3 2 337.471 2.645 20 30 EFEDLP C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cn1cc[nH+]c1 ZINC000181617262 534053884 /nfs/dbraw/zinc/05/38/84/534053884.db2.gz BFWWKLLOMAJCGI-KRWDZBQOSA-N 2 2 337.471 2.645 20 30 EFEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000170913287 534075015 /nfs/dbraw/zinc/07/50/15/534075015.db2.gz PERIHJFRTWXNAQ-KRWDZBQOSA-N 2 2 344.434 2.542 20 30 EFEDLP Cc1ccc2[nH+]cc(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)n2c1 ZINC000156449998 526258592 /nfs/dbraw/zinc/25/85/92/526258592.db2.gz BMXVCUBYMIQQHR-UHFFFAOYSA-N 2 2 346.438 2.668 20 30 EFEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1ccc(Cl)cc1Cl ZINC000073422267 526367339 /nfs/dbraw/zinc/36/73/39/526367339.db2.gz NVJRHHWSGZYZHV-UHFFFAOYSA-N 2 2 326.231 2.555 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000181803763 526610410 /nfs/dbraw/zinc/61/04/10/526610410.db2.gz FFMFIICYZLFEKO-AZUAARDMSA-N 2 2 327.472 2.663 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000173619618 529001266 /nfs/dbraw/zinc/00/12/66/529001266.db2.gz VCXOYIZUAQBJDD-KRWDZBQOSA-N 2 2 342.487 2.784 20 30 EFEDLP CC[NH+]=C(NCCC(F)(F)F)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261968766 535259933 /nfs/dbraw/zinc/25/99/33/535259933.db2.gz MDERQHIOIAHZMS-STQMWFEESA-N 2 2 331.386 2.684 20 30 EFEDLP CC[NH+]=C(NCC1(C2CC2)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262018467 535260297 /nfs/dbraw/zinc/26/02/97/535260297.db2.gz YGTRAVVUUNLNMO-DOTOQJQBSA-N 2 2 329.492 2.922 20 30 EFEDLP CC[NH+]=C(NCC1CCSCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261966162 535260460 /nfs/dbraw/zinc/26/04/60/535260460.db2.gz LKSCVQYTZJSXOP-DOTOQJQBSA-N 2 2 349.548 2.875 20 30 EFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@](C)(CC)C1 ZINC000261739377 535262168 /nfs/dbraw/zinc/26/21/68/535262168.db2.gz KJVSZSUFLMGHSU-LJQANCHMSA-N 2 2 331.508 2.849 20 30 EFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769047 536381281 /nfs/dbraw/zinc/38/12/81/536381281.db2.gz IIZFKLFZOBGQEP-QGZVFWFLSA-N 2 2 345.472 2.697 20 30 EFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769047 536381283 /nfs/dbraw/zinc/38/12/83/536381283.db2.gz IIZFKLFZOBGQEP-QGZVFWFLSA-N 2 2 345.472 2.697 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769047 536381287 /nfs/dbraw/zinc/38/12/87/536381287.db2.gz IIZFKLFZOBGQEP-QGZVFWFLSA-N 2 2 345.472 2.697 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769047 536381289 /nfs/dbraw/zinc/38/12/89/536381289.db2.gz IIZFKLFZOBGQEP-QGZVFWFLSA-N 2 2 345.472 2.697 20 30 EFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769046 536394807 /nfs/dbraw/zinc/39/48/07/536394807.db2.gz IIZFKLFZOBGQEP-KRWDZBQOSA-N 2 2 345.472 2.697 20 30 EFEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769046 536394809 /nfs/dbraw/zinc/39/48/09/536394809.db2.gz IIZFKLFZOBGQEP-KRWDZBQOSA-N 2 2 345.472 2.697 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769046 536394810 /nfs/dbraw/zinc/39/48/10/536394810.db2.gz IIZFKLFZOBGQEP-KRWDZBQOSA-N 2 2 345.472 2.697 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)Nc3cccc4nsnc43)C2)C1 ZINC000328769046 536394816 /nfs/dbraw/zinc/39/48/16/536394816.db2.gz IIZFKLFZOBGQEP-KRWDZBQOSA-N 2 2 345.472 2.697 20 30 EFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000353522013 546060943 /nfs/dbraw/zinc/06/09/43/546060943.db2.gz TWMGPVHGOBDDGK-QGZVFWFLSA-N 2 2 333.476 2.819 20 30 EFEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000657308965 547102320 /nfs/dbraw/zinc/10/23/20/547102320.db2.gz DPOADKZPROBGSZ-UHFFFAOYSA-N 2 2 339.487 2.651 20 30 EFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000658011988 547335837 /nfs/dbraw/zinc/33/58/37/547335837.db2.gz FGQLDKPFJAGZPR-DHVPZBTDSA-N 2 2 333.520 2.795 20 30 EFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000658011988 547335840 /nfs/dbraw/zinc/33/58/40/547335840.db2.gz FGQLDKPFJAGZPR-DHVPZBTDSA-N 2 2 333.520 2.795 20 30 EFEDLP C[N@H+](Cc1ccccc1)CC(C)(C)CN=NC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753936991 575362345 /nfs/dbraw/zinc/36/23/45/575362345.db2.gz XRJFICOUMXEFDB-HDICACEKSA-N 2 2 341.503 2.990 20 30 EFEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)CN=NC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753936991 575362349 /nfs/dbraw/zinc/36/23/49/575362349.db2.gz XRJFICOUMXEFDB-HDICACEKSA-N 2 2 341.503 2.990 20 30 EFEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]O[C@@H]2CCCCO2)CC1 ZINC000755817995 575641250 /nfs/dbraw/zinc/64/12/50/575641250.db2.gz PHBNZFGWUPEVSP-QGZVFWFLSA-N 2 2 337.851 2.969 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(Cl)nc3)cc2)CC1 ZINC000771561859 581222769 /nfs/dbraw/zinc/22/27/69/581222769.db2.gz YRKBLCFCCBSIJR-UHFFFAOYSA-N 2 2 329.835 2.933 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC000995944305 1254859266 /nfs/dbraw/zinc/85/92/66/1254859266.db2.gz BGMMHMSQBVEAAK-CQSZACIVSA-N 2 2 338.883 2.506 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1(C)C ZINC000996414787 1255292463 /nfs/dbraw/zinc/29/24/63/1255292463.db2.gz PYFKZIWCPOFRHF-KRWDZBQOSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432552 1255803163 /nfs/dbraw/zinc/80/31/63/1255803163.db2.gz NHIJNBWKBMVSKV-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432552 1255803177 /nfs/dbraw/zinc/80/31/77/1255803177.db2.gz NHIJNBWKBMVSKV-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432552 1255803186 /nfs/dbraw/zinc/80/31/86/1255803186.db2.gz NHIJNBWKBMVSKV-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432552 1255803201 /nfs/dbraw/zinc/80/32/01/1255803201.db2.gz NHIJNBWKBMVSKV-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433051 1255804245 /nfs/dbraw/zinc/80/42/45/1255804245.db2.gz LMIVSTKYSUBBTA-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433051 1255804258 /nfs/dbraw/zinc/80/42/58/1255804258.db2.gz LMIVSTKYSUBBTA-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433051 1255804268 /nfs/dbraw/zinc/80/42/68/1255804268.db2.gz LMIVSTKYSUBBTA-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433051 1255804281 /nfs/dbraw/zinc/80/42/81/1255804281.db2.gz LMIVSTKYSUBBTA-IEBWSBKVSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491950 1255989816 /nfs/dbraw/zinc/98/98/16/1255989816.db2.gz PZZWXBGAQRTAQY-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491950 1255989828 /nfs/dbraw/zinc/98/98/28/1255989828.db2.gz PZZWXBGAQRTAQY-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652041 1256366019 /nfs/dbraw/zinc/36/60/19/1256366019.db2.gz XGEPYTFCXRAVGF-UYAOXDASSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652041 1256366024 /nfs/dbraw/zinc/36/60/24/1256366024.db2.gz XGEPYTFCXRAVGF-UYAOXDASSA-N 2 2 344.503 2.990 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047564 1259023366 /nfs/dbraw/zinc/02/33/66/1259023366.db2.gz QOQAGRRCARPPEY-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047564 1259023372 /nfs/dbraw/zinc/02/33/72/1259023372.db2.gz QOQAGRRCARPPEY-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047564 1259023377 /nfs/dbraw/zinc/02/33/77/1259023377.db2.gz QOQAGRRCARPPEY-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047564 1259023383 /nfs/dbraw/zinc/02/33/83/1259023383.db2.gz QOQAGRRCARPPEY-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050697 1259026296 /nfs/dbraw/zinc/02/62/96/1259026296.db2.gz IDMWRFXUJNGJAV-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050697 1259026304 /nfs/dbraw/zinc/02/63/04/1259026304.db2.gz IDMWRFXUJNGJAV-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054281 1259038258 /nfs/dbraw/zinc/03/82/58/1259038258.db2.gz WNXWNGFGNCGZMW-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998054281 1259038265 /nfs/dbraw/zinc/03/82/65/1259038265.db2.gz WNXWNGFGNCGZMW-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119079 1259129645 /nfs/dbraw/zinc/12/96/45/1259129645.db2.gz ZERNVXCXNNAMEA-SJORKVTESA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119079 1259129648 /nfs/dbraw/zinc/12/96/48/1259129648.db2.gz ZERNVXCXNNAMEA-SJORKVTESA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998115966 1259131250 /nfs/dbraw/zinc/13/12/50/1259131250.db2.gz MFVFNORCPIAVAR-IRXDYDNUSA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000999638359 1260767731 /nfs/dbraw/zinc/76/77/31/1260767731.db2.gz PKCUKYUJGPDTCV-UHFFFAOYSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405398 1263913485 /nfs/dbraw/zinc/91/34/85/1263913485.db2.gz LMVHFXUBJVJDAS-BRWVUGGUSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405398 1263913488 /nfs/dbraw/zinc/91/34/88/1263913488.db2.gz LMVHFXUBJVJDAS-BRWVUGGUSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405398 1263913495 /nfs/dbraw/zinc/91/34/95/1263913495.db2.gz LMVHFXUBJVJDAS-BRWVUGGUSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405398 1263913502 /nfs/dbraw/zinc/91/35/02/1263913502.db2.gz LMVHFXUBJVJDAS-BRWVUGGUSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723536 1264269314 /nfs/dbraw/zinc/26/93/14/1264269314.db2.gz MOVVMNIJERPRCD-QZTJIDSGSA-N 2 2 347.890 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723536 1264269321 /nfs/dbraw/zinc/26/93/21/1264269321.db2.gz MOVVMNIJERPRCD-QZTJIDSGSA-N 2 2 347.890 2.647 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045932 1265017907 /nfs/dbraw/zinc/01/79/07/1265017907.db2.gz PUWSGUJFOYDFEO-OAGGEKHMSA-N 2 2 336.867 2.510 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045932 1265017925 /nfs/dbraw/zinc/01/79/25/1265017925.db2.gz PUWSGUJFOYDFEO-OAGGEKHMSA-N 2 2 336.867 2.510 20 30 EFEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(Cl)cc2C#C[Si](C)(C)C)CC1 ZINC001168735067 1266833031 /nfs/dbraw/zinc/83/30/31/1266833031.db2.gz HAQROOSJYSCWGC-UHFFFAOYSA-N 2 2 349.942 2.558 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004455779 1267083872 /nfs/dbraw/zinc/08/38/72/1267083872.db2.gz AXPUTNFOJGAHRH-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004455779 1267083880 /nfs/dbraw/zinc/08/38/80/1267083880.db2.gz AXPUTNFOJGAHRH-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004455779 1267083889 /nfs/dbraw/zinc/08/38/89/1267083889.db2.gz AXPUTNFOJGAHRH-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004455779 1267083896 /nfs/dbraw/zinc/08/38/96/1267083896.db2.gz AXPUTNFOJGAHRH-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638513 1267431691 /nfs/dbraw/zinc/43/16/91/1267431691.db2.gz NWXOFGBMRNJQMM-HDICACEKSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638513 1267431693 /nfs/dbraw/zinc/43/16/93/1267431693.db2.gz NWXOFGBMRNJQMM-HDICACEKSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642903 1267449038 /nfs/dbraw/zinc/44/90/38/1267449038.db2.gz UTUXUNFBKSBBAY-IYBDPMFKSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642903 1267449041 /nfs/dbraw/zinc/44/90/41/1267449041.db2.gz UTUXUNFBKSBBAY-IYBDPMFKSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc(-c2c[nH+]cn2C)c1 ZINC001171072319 1278357459 /nfs/dbraw/zinc/35/74/59/1278357459.db2.gz IMZRXLZCJFWMKZ-KRWDZBQOSA-N 2 2 342.443 2.726 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773192 1268444333 /nfs/dbraw/zinc/44/43/33/1268444333.db2.gz OPHNHXNLXZLXBH-IXDOHACOSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773192 1268444338 /nfs/dbraw/zinc/44/43/38/1268444338.db2.gz OPHNHXNLXZLXBH-IXDOHACOSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310443 1268735228 /nfs/dbraw/zinc/73/52/28/1268735228.db2.gz UCEBSJMYMZDODJ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033310443 1268735235 /nfs/dbraw/zinc/73/52/35/1268735235.db2.gz UCEBSJMYMZDODJ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905699 1269027555 /nfs/dbraw/zinc/02/75/55/1269027555.db2.gz NQIJNIBHNSUYNU-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905699 1269027566 /nfs/dbraw/zinc/02/75/66/1269027566.db2.gz NQIJNIBHNSUYNU-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472831 1269259554 /nfs/dbraw/zinc/25/95/54/1269259554.db2.gz BZJKUGLRPUQLRA-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472831 1269259557 /nfs/dbraw/zinc/25/95/57/1269259557.db2.gz BZJKUGLRPUQLRA-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472831 1269259560 /nfs/dbraw/zinc/25/95/60/1269259560.db2.gz BZJKUGLRPUQLRA-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472831 1269259565 /nfs/dbraw/zinc/25/95/65/1269259565.db2.gz BZJKUGLRPUQLRA-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573742 1269473781 /nfs/dbraw/zinc/47/37/81/1269473781.db2.gz JEDOCFCMRNUNED-SJORKVTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573742 1269473785 /nfs/dbraw/zinc/47/37/85/1269473785.db2.gz JEDOCFCMRNUNED-SJORKVTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573742 1269473793 /nfs/dbraw/zinc/47/37/93/1269473793.db2.gz JEDOCFCMRNUNED-SJORKVTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573742 1269473799 /nfs/dbraw/zinc/47/37/99/1269473799.db2.gz JEDOCFCMRNUNED-SJORKVTESA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855546 1270398479 /nfs/dbraw/zinc/39/84/79/1270398479.db2.gz KHMOQUALAHDYNE-IAGOWNOFSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855546 1270398488 /nfs/dbraw/zinc/39/84/88/1270398488.db2.gz KHMOQUALAHDYNE-IAGOWNOFSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855546 1270398497 /nfs/dbraw/zinc/39/84/97/1270398497.db2.gz KHMOQUALAHDYNE-IAGOWNOFSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855546 1270398501 /nfs/dbraw/zinc/39/85/01/1270398501.db2.gz KHMOQUALAHDYNE-IAGOWNOFSA-N 2 2 341.927 2.640 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033882526 1270478988 /nfs/dbraw/zinc/47/89/88/1270478988.db2.gz ZSWYSVOUEXJIAL-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033882526 1270478994 /nfs/dbraw/zinc/47/89/94/1270478994.db2.gz ZSWYSVOUEXJIAL-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033882526 1270478995 /nfs/dbraw/zinc/47/89/95/1270478995.db2.gz ZSWYSVOUEXJIAL-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033882526 1270478999 /nfs/dbraw/zinc/47/89/99/1270478999.db2.gz ZSWYSVOUEXJIAL-IAGOWNOFSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034005587 1270862140 /nfs/dbraw/zinc/86/21/40/1270862140.db2.gz VFGFFFKVKHMLPJ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034005587 1270862148 /nfs/dbraw/zinc/86/21/48/1270862148.db2.gz VFGFFFKVKHMLPJ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203328 1271318440 /nfs/dbraw/zinc/31/84/40/1271318440.db2.gz DUZLSBZYLHBODQ-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203328 1271318444 /nfs/dbraw/zinc/31/84/44/1271318444.db2.gz DUZLSBZYLHBODQ-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203328 1271318449 /nfs/dbraw/zinc/31/84/49/1271318449.db2.gz DUZLSBZYLHBODQ-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203328 1271318456 /nfs/dbraw/zinc/31/84/56/1271318456.db2.gz DUZLSBZYLHBODQ-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288170 1271568377 /nfs/dbraw/zinc/56/83/77/1271568377.db2.gz LWLMIXYVNNDAQB-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288170 1271568378 /nfs/dbraw/zinc/56/83/78/1271568378.db2.gz LWLMIXYVNNDAQB-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288170 1271568381 /nfs/dbraw/zinc/56/83/81/1271568381.db2.gz LWLMIXYVNNDAQB-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288170 1271568386 /nfs/dbraw/zinc/56/83/86/1271568386.db2.gz LWLMIXYVNNDAQB-SJORKVTESA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288168 1271569102 /nfs/dbraw/zinc/56/91/02/1271569102.db2.gz LWLMIXYVNNDAQB-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288168 1271569105 /nfs/dbraw/zinc/56/91/05/1271569105.db2.gz LWLMIXYVNNDAQB-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288168 1271569108 /nfs/dbraw/zinc/56/91/08/1271569108.db2.gz LWLMIXYVNNDAQB-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288168 1271569112 /nfs/dbraw/zinc/56/91/12/1271569112.db2.gz LWLMIXYVNNDAQB-IAGOWNOFSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001086523823 1272234833 /nfs/dbraw/zinc/23/48/33/1272234833.db2.gz LHFXEGYITWPLEY-KOMQPUFPSA-N 2 2 344.846 2.723 20 30 EFEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092127 1272669658 /nfs/dbraw/zinc/66/96/58/1272669658.db2.gz YAVAQKAKWZEFKA-WKCHPHFGSA-N 2 2 338.499 2.737 20 30 EFEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092127 1272669666 /nfs/dbraw/zinc/66/96/66/1272669666.db2.gz YAVAQKAKWZEFKA-WKCHPHFGSA-N 2 2 338.499 2.737 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108799416 1273492807 /nfs/dbraw/zinc/49/28/07/1273492807.db2.gz ORIMRYVIPTWIMY-BZSNNMDCSA-N 2 2 346.519 2.902 20 30 EFEDLP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198585 1273766646 /nfs/dbraw/zinc/76/66/46/1273766646.db2.gz OPSMCNKLMGGPMT-UHFFFAOYSA-N 2 2 336.439 2.514 20 30 EFEDLP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198585 1273766654 /nfs/dbraw/zinc/76/66/54/1273766654.db2.gz OPSMCNKLMGGPMT-UHFFFAOYSA-N 2 2 336.439 2.514 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035209735 1273856787 /nfs/dbraw/zinc/85/67/87/1273856787.db2.gz OVBDWGMKOXISDL-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035209735 1273856799 /nfs/dbraw/zinc/85/67/99/1273856799.db2.gz OVBDWGMKOXISDL-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001109419612 1274255916 /nfs/dbraw/zinc/25/59/16/1274255916.db2.gz XKORZRFQJUMFDM-RXYDEIHYSA-N 2 2 342.487 2.981 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001109419612 1274255923 /nfs/dbraw/zinc/25/59/23/1274255923.db2.gz XKORZRFQJUMFDM-RXYDEIHYSA-N 2 2 342.487 2.981 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001109419612 1274255929 /nfs/dbraw/zinc/25/59/29/1274255929.db2.gz XKORZRFQJUMFDM-RXYDEIHYSA-N 2 2 342.487 2.981 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001109419612 1274255934 /nfs/dbraw/zinc/25/59/34/1274255934.db2.gz XKORZRFQJUMFDM-RXYDEIHYSA-N 2 2 342.487 2.981 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCC=C ZINC001109414577 1274256646 /nfs/dbraw/zinc/25/66/46/1274256646.db2.gz AJHDIAINGWUUAX-FYQPLNBISA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC=C ZINC001109414577 1274256650 /nfs/dbraw/zinc/25/66/50/1274256650.db2.gz AJHDIAINGWUUAX-FYQPLNBISA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCC=C ZINC001109414577 1274256653 /nfs/dbraw/zinc/25/66/53/1274256653.db2.gz AJHDIAINGWUUAX-FYQPLNBISA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCC=C ZINC001109414577 1274256657 /nfs/dbraw/zinc/25/66/57/1274256657.db2.gz AJHDIAINGWUUAX-FYQPLNBISA-N 2 2 343.515 2.552 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035725272 1274412918 /nfs/dbraw/zinc/41/29/18/1274412918.db2.gz LMZNVJSPIDOYKZ-MRXNPFEDSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035725272 1274412923 /nfs/dbraw/zinc/41/29/23/1274412923.db2.gz LMZNVJSPIDOYKZ-MRXNPFEDSA-N 2 2 339.911 2.538 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109704941 1274563172 /nfs/dbraw/zinc/56/31/72/1274563172.db2.gz KNFYTWWAAQDDOM-JHNDHUHGSA-N 2 2 328.460 2.517 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109704941 1274563178 /nfs/dbraw/zinc/56/31/78/1274563178.db2.gz KNFYTWWAAQDDOM-JHNDHUHGSA-N 2 2 328.460 2.517 20 30 EFEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109969744 1274908615 /nfs/dbraw/zinc/90/86/15/1274908615.db2.gz YAFMZMLMRVXJRD-XWSJACJDSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109969744 1274908624 /nfs/dbraw/zinc/90/86/24/1274908624.db2.gz YAFMZMLMRVXJRD-XWSJACJDSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109969744 1274908637 /nfs/dbraw/zinc/90/86/37/1274908637.db2.gz YAFMZMLMRVXJRD-XWSJACJDSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109969744 1274908647 /nfs/dbraw/zinc/90/86/47/1274908647.db2.gz YAFMZMLMRVXJRD-XWSJACJDSA-N 2 2 327.472 2.587 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001036033342 1274908725 /nfs/dbraw/zinc/90/87/25/1274908725.db2.gz MYWXSBWKXHFYEX-WMLDXEAASA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034974 1275023389 /nfs/dbraw/zinc/02/33/89/1275023389.db2.gz VTXRYBHJVXEXAR-NJAFHUGGSA-N 2 2 330.476 2.729 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034974 1275023397 /nfs/dbraw/zinc/02/33/97/1275023397.db2.gz VTXRYBHJVXEXAR-NJAFHUGGSA-N 2 2 330.476 2.729 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001036120887 1275080178 /nfs/dbraw/zinc/08/01/78/1275080178.db2.gz BCGWWIWKXPVJDK-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590668 1275346172 /nfs/dbraw/zinc/34/61/72/1275346172.db2.gz JUAZKYDBZNPPNH-ICSRJNTNSA-N 2 2 344.503 2.848 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036306614 1275427223 /nfs/dbraw/zinc/42/72/23/1275427223.db2.gz XYTKSFVBVDFFNH-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC001036306614 1275427227 /nfs/dbraw/zinc/42/72/27/1275427227.db2.gz XYTKSFVBVDFFNH-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP Cc1ccc(NCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000922927142 1276350088 /nfs/dbraw/zinc/35/00/88/1276350088.db2.gz DUWOANHIJHNMLR-UHFFFAOYSA-N 2 2 349.482 2.928 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)ccc1OC ZINC000817918672 1276375541 /nfs/dbraw/zinc/37/55/41/1276375541.db2.gz MJEFIIFBBNFXGO-ZACQAIPSSA-N 2 2 331.460 2.996 20 30 EFEDLP C#CCOc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000817949158 1276396085 /nfs/dbraw/zinc/39/60/85/1276396085.db2.gz PARYZWFUBXFBKL-MRXNPFEDSA-N 2 2 336.439 2.676 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896668 1276502005 /nfs/dbraw/zinc/50/20/05/1276502005.db2.gz ZARQCBUUHIJLSJ-CRAIPNDOSA-N 2 2 347.507 2.631 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896668 1276502009 /nfs/dbraw/zinc/50/20/09/1276502009.db2.gz ZARQCBUUHIJLSJ-CRAIPNDOSA-N 2 2 347.507 2.631 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348228 1277636730 /nfs/dbraw/zinc/63/67/30/1277636730.db2.gz DGDJCGPNBDUSAM-GOSISDBHSA-N 2 2 346.519 2.869 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001113488987 1277954462 /nfs/dbraw/zinc/95/44/62/1277954462.db2.gz WMCXRNPKWABZNK-KRWDZBQOSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175227732 1287363030 /nfs/dbraw/zinc/36/30/30/1287363030.db2.gz UEFLUHTVQKENEX-KBPBESRZSA-N 2 2 338.883 2.847 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171232997 1280261507 /nfs/dbraw/zinc/26/15/07/1280261507.db2.gz YNQDWYFKXHZHOH-INIZCTEOSA-N 2 2 336.439 2.715 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358244 1287412174 /nfs/dbraw/zinc/41/21/74/1287412174.db2.gz LQHCNZOKRJCWHW-RRFJBIMHSA-N 2 2 338.883 2.541 20 30 EFEDLP CCCCCCC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509667 1280929160 /nfs/dbraw/zinc/92/91/60/1280929160.db2.gz RSSJVEIDWHBUBN-UHFFFAOYSA-N 2 2 329.448 2.557 20 30 EFEDLP C#CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205157 1287475985 /nfs/dbraw/zinc/47/59/85/1287475985.db2.gz UCWQSNOLPLNUJL-YADHBBJMSA-N 2 2 334.463 2.978 20 30 EFEDLP C#CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205157 1287475992 /nfs/dbraw/zinc/47/59/92/1287475992.db2.gz UCWQSNOLPLNUJL-YADHBBJMSA-N 2 2 334.463 2.978 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766713 1281253379 /nfs/dbraw/zinc/25/33/79/1281253379.db2.gz FUSZUWYAOGTOPD-QGZVFWFLSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766713 1281253381 /nfs/dbraw/zinc/25/33/81/1281253381.db2.gz FUSZUWYAOGTOPD-QGZVFWFLSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767965 1281254895 /nfs/dbraw/zinc/25/48/95/1281254895.db2.gz VECCNYOTYGWWTO-SFHVURJKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767965 1281254900 /nfs/dbraw/zinc/25/49/00/1281254900.db2.gz VECCNYOTYGWWTO-SFHVURJKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357364 1281528735 /nfs/dbraw/zinc/52/87/35/1281528735.db2.gz KWSSKLGPYYSVFS-IAGOWNOFSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357364 1281528744 /nfs/dbraw/zinc/52/87/44/1281528744.db2.gz KWSSKLGPYYSVFS-IAGOWNOFSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148695096 1281712705 /nfs/dbraw/zinc/71/27/05/1281712705.db2.gz QUFMVZUPWMNUKM-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148695096 1281712713 /nfs/dbraw/zinc/71/27/13/1281712713.db2.gz QUFMVZUPWMNUKM-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935212 1281955670 /nfs/dbraw/zinc/95/56/70/1281955670.db2.gz LPLJGVNZKGSKHL-KRWDZBQOSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948435 1281957414 /nfs/dbraw/zinc/95/74/14/1281957414.db2.gz YFHKXQPEQWQFJV-IRXDYDNUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948435 1281957420 /nfs/dbraw/zinc/95/74/20/1281957420.db2.gz YFHKXQPEQWQFJV-IRXDYDNUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935604 1281958000 /nfs/dbraw/zinc/95/80/00/1281958000.db2.gz WDTKGBWHZIITGQ-GOSISDBHSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948434 1281958040 /nfs/dbraw/zinc/95/80/40/1281958040.db2.gz YFHKXQPEQWQFJV-IAGOWNOFSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948434 1281958048 /nfs/dbraw/zinc/95/80/48/1281958048.db2.gz YFHKXQPEQWQFJV-IAGOWNOFSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945583 1281979741 /nfs/dbraw/zinc/97/97/41/1281979741.db2.gz FGUDNVMBHWXFFO-DLBZAZTESA-N 2 2 330.476 2.723 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002910 1282303036 /nfs/dbraw/zinc/30/30/36/1282303036.db2.gz JGADICUANKSISJ-QINHECLXSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002910 1282303037 /nfs/dbraw/zinc/30/30/37/1282303037.db2.gz JGADICUANKSISJ-QINHECLXSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092728869 1282979940 /nfs/dbraw/zinc/97/99/40/1282979940.db2.gz QMCHBICDDPDFNE-GDBMZVCRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092728869 1282979946 /nfs/dbraw/zinc/97/99/46/1282979946.db2.gz QMCHBICDDPDFNE-GDBMZVCRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092729689 1282981408 /nfs/dbraw/zinc/98/14/08/1282981408.db2.gz KFDFZWGYONRFHP-BXUZGUMPSA-N 2 2 332.835 2.613 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092729689 1282981419 /nfs/dbraw/zinc/98/14/19/1282981419.db2.gz KFDFZWGYONRFHP-BXUZGUMPSA-N 2 2 332.835 2.613 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310208 1283305183 /nfs/dbraw/zinc/30/51/83/1283305183.db2.gz JJQADTFXWMKXQE-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310208 1283305196 /nfs/dbraw/zinc/30/51/96/1283305196.db2.gz JJQADTFXWMKXQE-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310208 1283305207 /nfs/dbraw/zinc/30/52/07/1283305207.db2.gz JJQADTFXWMKXQE-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310208 1283305219 /nfs/dbraw/zinc/30/52/19/1283305219.db2.gz JJQADTFXWMKXQE-CABCVRRESA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132355432 1283381406 /nfs/dbraw/zinc/38/14/06/1283381406.db2.gz ZLQRGGFEQSPGQC-GOEBONIOSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132355432 1283381414 /nfs/dbraw/zinc/38/14/14/1283381414.db2.gz ZLQRGGFEQSPGQC-GOEBONIOSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751099 1283403610 /nfs/dbraw/zinc/40/36/10/1283403610.db2.gz YCJLUQMKOLZKJI-CXAGYDPISA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751099 1283403614 /nfs/dbraw/zinc/40/36/14/1283403614.db2.gz YCJLUQMKOLZKJI-CXAGYDPISA-N 2 2 344.846 2.852 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423486 1283521940 /nfs/dbraw/zinc/52/19/40/1283521940.db2.gz AAMOQDASZIONOI-IAGOWNOFSA-N 2 2 334.508 2.902 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423486 1283521950 /nfs/dbraw/zinc/52/19/50/1283521950.db2.gz AAMOQDASZIONOI-IAGOWNOFSA-N 2 2 334.508 2.902 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423557 1283523734 /nfs/dbraw/zinc/52/37/34/1283523734.db2.gz AJOQCBYFDKNBOV-IAGOWNOFSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423557 1283523746 /nfs/dbraw/zinc/52/37/46/1283523746.db2.gz AJOQCBYFDKNBOV-IAGOWNOFSA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771601 1283546558 /nfs/dbraw/zinc/54/65/58/1283546558.db2.gz JWMJZRLYRWVQGP-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771601 1283546564 /nfs/dbraw/zinc/54/65/64/1283546564.db2.gz JWMJZRLYRWVQGP-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444983 1283610869 /nfs/dbraw/zinc/61/08/69/1283610869.db2.gz JPHRWWLZRZOCRP-NVXWUHKLSA-N 2 2 332.492 2.976 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444983 1283610885 /nfs/dbraw/zinc/61/08/85/1283610885.db2.gz JPHRWWLZRZOCRP-NVXWUHKLSA-N 2 2 332.492 2.976 20 30 EFEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171407880 1283763391 /nfs/dbraw/zinc/76/33/91/1283763391.db2.gz FSLPEAWBLZGJPR-QZTJIDSGSA-N 2 2 332.492 2.758 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519067 1283777845 /nfs/dbraw/zinc/77/78/45/1283777845.db2.gz SDPGPAMZTKBGMQ-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519067 1283777854 /nfs/dbraw/zinc/77/78/54/1283777854.db2.gz SDPGPAMZTKBGMQ-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000815652035 1287672205 /nfs/dbraw/zinc/67/22/05/1287672205.db2.gz LUETXDBSDBBPAM-MRXNPFEDSA-N 2 2 328.378 2.938 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000815652035 1287672206 /nfs/dbraw/zinc/67/22/06/1287672206.db2.gz LUETXDBSDBBPAM-MRXNPFEDSA-N 2 2 328.378 2.938 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176143980 1287701742 /nfs/dbraw/zinc/70/17/42/1287701742.db2.gz KQFRQLWIAOSXRF-INIZCTEOSA-N 2 2 341.459 2.722 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132920629 1284468920 /nfs/dbraw/zinc/46/89/20/1284468920.db2.gz TVCXRGAFHXRVCR-GDBMZVCRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132924999 1284474724 /nfs/dbraw/zinc/47/47/24/1284474724.db2.gz SKWTYQQYNSFVGQ-FUHWJXTLSA-N 2 2 345.487 2.673 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132981985 1284566344 /nfs/dbraw/zinc/56/63/44/1284566344.db2.gz IWYLTQNRWMEULH-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132982555 1284567804 /nfs/dbraw/zinc/56/78/04/1284567804.db2.gz SUAIEAYHRLLXOH-DLBZAZTESA-N 2 2 340.471 2.988 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416318 1285043250 /nfs/dbraw/zinc/04/32/50/1285043250.db2.gz NUGQAALJFCZSSH-YLJYHZDGSA-N 2 2 338.455 2.803 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416318 1285043261 /nfs/dbraw/zinc/04/32/61/1285043261.db2.gz NUGQAALJFCZSSH-YLJYHZDGSA-N 2 2 338.455 2.803 20 30 EFEDLP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001133408273 1285367724 /nfs/dbraw/zinc/36/77/24/1285367724.db2.gz ZSABMBCPSXMAIK-UHFFFAOYSA-N 2 2 346.862 2.800 20 30 EFEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC001133410578 1285372098 /nfs/dbraw/zinc/37/20/98/1285372098.db2.gz OOPITUHJBKYPSD-UHFFFAOYSA-N 2 2 346.862 2.718 20 30 EFEDLP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001133428506 1285404247 /nfs/dbraw/zinc/40/42/47/1285404247.db2.gz ZVHABJMINJSPSC-UHFFFAOYSA-N 2 2 346.862 2.731 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160377 1285439499 /nfs/dbraw/zinc/43/94/99/1285439499.db2.gz MAQRAPKDOOBKTF-YDZRNGNQSA-N 2 2 327.472 2.587 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160377 1285439513 /nfs/dbraw/zinc/43/95/13/1285439513.db2.gz MAQRAPKDOOBKTF-YDZRNGNQSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171607143 1285674431 /nfs/dbraw/zinc/67/44/31/1285674431.db2.gz ZLVNDTNYXCFLMQ-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896880 1285884111 /nfs/dbraw/zinc/88/41/11/1285884111.db2.gz WNWJNSDKDVMCBM-IAGOWNOFSA-N 2 2 334.508 2.972 20 30 EFEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942590 1285939100 /nfs/dbraw/zinc/93/91/00/1285939100.db2.gz PDFOPMAJKNYBHC-QGZVFWFLSA-N 2 2 338.455 2.774 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172303848 1286090190 /nfs/dbraw/zinc/09/01/90/1286090190.db2.gz IIXACIHCIUEHOR-QGZVFWFLSA-N 2 2 349.482 2.797 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172303848 1286090198 /nfs/dbraw/zinc/09/01/98/1286090198.db2.gz IIXACIHCIUEHOR-QGZVFWFLSA-N 2 2 349.482 2.797 20 30 EFEDLP C[C@@H](CCCC#N)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496397 1286170114 /nfs/dbraw/zinc/17/01/14/1286170114.db2.gz ZWLQIKWIYGEWPW-IRXDYDNUSA-N 2 2 328.460 2.881 20 30 EFEDLP CC#CC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179158007 1289061376 /nfs/dbraw/zinc/06/13/76/1289061376.db2.gz XSCDYNDGYYAIAN-UHFFFAOYSA-N 2 2 338.455 2.775 20 30 EFEDLP C#CCC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157903 1289061472 /nfs/dbraw/zinc/06/14/72/1289061472.db2.gz VOTWNCKAAGVQOF-UHFFFAOYSA-N 2 2 338.455 2.775 20 30 EFEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001094970470 1286324482 /nfs/dbraw/zinc/32/44/82/1286324482.db2.gz XWMYVVPYUFKPEQ-WDYCEAGBSA-N 2 2 336.439 2.641 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086733097 1287979066 /nfs/dbraw/zinc/97/90/66/1287979066.db2.gz SXOPLQGCSJLQJH-GXTWGEPZSA-N 2 2 332.835 2.804 20 30 EFEDLP C=CCCCCC[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176871314 1288156998 /nfs/dbraw/zinc/15/69/98/1288156998.db2.gz UQCZXZKDFKYXTQ-UHFFFAOYSA-N 2 2 349.544 2.949 20 30 EFEDLP C=CCCCCC[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176871314 1288157003 /nfs/dbraw/zinc/15/70/03/1288157003.db2.gz UQCZXZKDFKYXTQ-UHFFFAOYSA-N 2 2 349.544 2.949 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431441 1288436911 /nfs/dbraw/zinc/43/69/11/1288436911.db2.gz ZOOFAEIKMGLSFP-SFHVURJKSA-N 2 2 344.503 2.856 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135917200 1288604022 /nfs/dbraw/zinc/60/40/22/1288604022.db2.gz ZGIVEVHZKVPYLK-JKSUJKDBSA-N 2 2 341.459 2.720 20 30 EFEDLP C#CCCCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656913 1288685519 /nfs/dbraw/zinc/68/55/19/1288685519.db2.gz QPSSKXABPDYNRX-UHFFFAOYSA-N 2 2 333.520 2.589 20 30 EFEDLP C#CCCCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656913 1288685524 /nfs/dbraw/zinc/68/55/24/1288685524.db2.gz QPSSKXABPDYNRX-UHFFFAOYSA-N 2 2 333.520 2.589 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704492 1288878931 /nfs/dbraw/zinc/87/89/31/1288878931.db2.gz WPOSVQHLEHCRAB-RDJZCZTQSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880757 1288957225 /nfs/dbraw/zinc/95/72/25/1288957225.db2.gz POHBHYPZXQGTDU-MRXNPFEDSA-N 2 2 332.492 2.665 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880757 1288957232 /nfs/dbraw/zinc/95/72/32/1288957232.db2.gz POHBHYPZXQGTDU-MRXNPFEDSA-N 2 2 332.492 2.665 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880703 1288957479 /nfs/dbraw/zinc/95/74/79/1288957479.db2.gz OSEYIMMYNMYCRO-MRXNPFEDSA-N 2 2 332.492 2.665 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880703 1288957481 /nfs/dbraw/zinc/95/74/81/1288957481.db2.gz OSEYIMMYNMYCRO-MRXNPFEDSA-N 2 2 332.492 2.665 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165834872 1312689823 /nfs/dbraw/zinc/68/98/23/1312689823.db2.gz FHVSLVFOJBEYOV-IRXDYDNUSA-N 2 2 344.503 2.676 20 30 EFEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001181468257 1289800568 /nfs/dbraw/zinc/80/05/68/1289800568.db2.gz USCMDXVXAZSIPJ-AUUYWEPGSA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182579286 1290223624 /nfs/dbraw/zinc/22/36/24/1290223624.db2.gz BMWUPBLCJCDSDQ-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183304696 1290326975 /nfs/dbraw/zinc/32/69/75/1290326975.db2.gz YAFYMOLTYFZJGY-FUHIMQAGSA-N 2 2 346.519 2.782 20 30 EFEDLP C=CCCC[NH+]1CCC2(CCC(=O)N(CCn3cc[nH+]c3)C2)CC1 ZINC001273487093 1290470949 /nfs/dbraw/zinc/47/09/49/1290470949.db2.gz CNJRNIMHWXTFCK-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184850752 1290526844 /nfs/dbraw/zinc/52/68/44/1290526844.db2.gz FWBKJCMELRUVPO-MAUKXSAKSA-N 2 2 327.472 2.718 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185490516 1290704568 /nfs/dbraw/zinc/70/45/68/1290704568.db2.gz AYSIAQCWRVFHGY-OCCSQVGLSA-N 2 2 338.883 2.514 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016623700 1312887636 /nfs/dbraw/zinc/88/76/36/1312887636.db2.gz FXUKTANECSVZMF-KRWDZBQOSA-N 2 2 338.455 2.803 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614979 1291885887 /nfs/dbraw/zinc/88/58/87/1291885887.db2.gz SHPZLABQXVZFDH-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000957636036 1291934773 /nfs/dbraw/zinc/93/47/73/1291934773.db2.gz UDSQCQYEOWXVQP-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203230478 1312892314 /nfs/dbraw/zinc/89/23/14/1312892314.db2.gz MVPAIRUWKGDOAI-MOPGFXCFSA-N 2 2 348.450 2.526 20 30 EFEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203230480 1312892737 /nfs/dbraw/zinc/89/27/37/1312892737.db2.gz MVPAIRUWKGDOAI-OALUTQOASA-N 2 2 348.450 2.526 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001233386474 1312920289 /nfs/dbraw/zinc/92/02/89/1312920289.db2.gz VMGQLJSPQLHDCE-WOJBJXKFSA-N 2 2 333.435 2.828 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001114815504 1292392685 /nfs/dbraw/zinc/39/26/85/1292392685.db2.gz WDJJCYKJBANGSV-LISAXSMJSA-N 2 2 342.487 2.622 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001114815504 1292392692 /nfs/dbraw/zinc/39/26/92/1292392692.db2.gz WDJJCYKJBANGSV-LISAXSMJSA-N 2 2 342.487 2.622 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989228 1292416638 /nfs/dbraw/zinc/41/66/38/1292416638.db2.gz MVRIHKWFBMJWOL-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989228 1292416640 /nfs/dbraw/zinc/41/66/40/1292416640.db2.gz MVRIHKWFBMJWOL-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687804 1312925854 /nfs/dbraw/zinc/92/58/54/1312925854.db2.gz MAPFVDAHOZLCCG-MRXNPFEDSA-N 2 2 344.846 2.900 20 30 EFEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587227 1292572022 /nfs/dbraw/zinc/57/20/22/1292572022.db2.gz SFBLEBDMSRHYAZ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587227 1292572027 /nfs/dbraw/zinc/57/20/27/1292572027.db2.gz SFBLEBDMSRHYAZ-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001049507549 1312940902 /nfs/dbraw/zinc/94/09/02/1312940902.db2.gz KDCXTLMYQQCKLS-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049507549 1312940904 /nfs/dbraw/zinc/94/09/04/1312940904.db2.gz KDCXTLMYQQCKLS-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049507549 1312940907 /nfs/dbraw/zinc/94/09/07/1312940907.db2.gz KDCXTLMYQQCKLS-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049507549 1312940910 /nfs/dbraw/zinc/94/09/10/1312940910.db2.gz KDCXTLMYQQCKLS-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016709624 1312938929 /nfs/dbraw/zinc/93/89/29/1312938929.db2.gz NNNPYPCUIJWRNW-INIZCTEOSA-N 2 2 344.846 2.671 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513954 1312949252 /nfs/dbraw/zinc/94/92/52/1312949252.db2.gz XWWAFOCUNKIGHS-SJORKVTESA-N 2 2 345.512 2.512 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513954 1312949256 /nfs/dbraw/zinc/94/92/56/1312949256.db2.gz XWWAFOCUNKIGHS-SJORKVTESA-N 2 2 345.512 2.512 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424337 1293303124 /nfs/dbraw/zinc/30/31/24/1293303124.db2.gz MHDBWFOFLMUIEH-ZWKOTPCHSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424337 1293303129 /nfs/dbraw/zinc/30/31/29/1293303129.db2.gz MHDBWFOFLMUIEH-ZWKOTPCHSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424337 1293303138 /nfs/dbraw/zinc/30/31/38/1293303138.db2.gz MHDBWFOFLMUIEH-ZWKOTPCHSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424337 1293303142 /nfs/dbraw/zinc/30/31/42/1293303142.db2.gz MHDBWFOFLMUIEH-ZWKOTPCHSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001016824561 1312999140 /nfs/dbraw/zinc/99/91/40/1312999140.db2.gz WOBPKHPGMCWRDO-WBVHZDCISA-N 2 2 342.487 2.767 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001016824560 1312999241 /nfs/dbraw/zinc/99/92/41/1312999241.db2.gz WOBPKHPGMCWRDO-RDJZCZTQSA-N 2 2 342.487 2.767 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(Br)c1OC ZINC000883131109 1293473803 /nfs/dbraw/zinc/47/38/03/1293473803.db2.gz HCMYKBCIYNYWIZ-UHFFFAOYSA-N 2 2 325.250 2.502 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(Br)c1OC ZINC000883131109 1293473808 /nfs/dbraw/zinc/47/38/08/1293473808.db2.gz HCMYKBCIYNYWIZ-UHFFFAOYSA-N 2 2 325.250 2.502 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815885 1313023394 /nfs/dbraw/zinc/02/33/94/1313023394.db2.gz RSDRQFRMKDRGAA-IRXDYDNUSA-N 2 2 332.492 2.871 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001016909965 1313038245 /nfs/dbraw/zinc/03/82/45/1313038245.db2.gz OTYDOXKFVMKYCE-GOSISDBHSA-N 2 2 336.439 2.643 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196310338 1294186255 /nfs/dbraw/zinc/18/62/55/1294186255.db2.gz QCAOAIPQTDFYMW-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196310338 1294186258 /nfs/dbraw/zinc/18/62/58/1294186258.db2.gz QCAOAIPQTDFYMW-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccco1 ZINC000303864546 1294591936 /nfs/dbraw/zinc/59/19/36/1294591936.db2.gz BAJQGYYSEXRJDX-QGZVFWFLSA-N 2 2 328.460 2.810 20 30 EFEDLP C=CCCC[N@@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001197668998 1294652427 /nfs/dbraw/zinc/65/24/27/1294652427.db2.gz JYOJXGKOFFAVAV-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP C=CCCC[N@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001197668998 1294652438 /nfs/dbraw/zinc/65/24/38/1294652438.db2.gz JYOJXGKOFFAVAV-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001198229770 1294944018 /nfs/dbraw/zinc/94/40/18/1294944018.db2.gz NYHFJNMQFPXOKZ-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP C=CCCC[N@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001198229770 1294944026 /nfs/dbraw/zinc/94/40/26/1294944026.db2.gz NYHFJNMQFPXOKZ-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001198229770 1294944036 /nfs/dbraw/zinc/94/40/36/1294944036.db2.gz NYHFJNMQFPXOKZ-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP C=CCCC[NH+]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001198229770 1294944042 /nfs/dbraw/zinc/94/40/42/1294944042.db2.gz NYHFJNMQFPXOKZ-UHFFFAOYSA-N 2 2 347.528 2.607 20 30 EFEDLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH+]c1C ZINC000886670374 1295097257 /nfs/dbraw/zinc/09/72/57/1295097257.db2.gz NVHBOYWAIYGIDU-BEFAXECRSA-N 2 2 345.491 2.649 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734096 1313235238 /nfs/dbraw/zinc/23/52/38/1313235238.db2.gz DCEFMWDQFIWROC-BRSBDYLESA-N 2 2 342.487 2.555 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734096 1313235241 /nfs/dbraw/zinc/23/52/41/1313235241.db2.gz DCEFMWDQFIWROC-BRSBDYLESA-N 2 2 342.487 2.555 20 30 EFEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205284221 1313264420 /nfs/dbraw/zinc/26/44/20/1313264420.db2.gz KIVKDROJRYHXFT-UHFFFAOYSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758036 1313266788 /nfs/dbraw/zinc/26/67/88/1313266788.db2.gz FYQYOEDXRFNQSO-OKZBNKHCSA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758036 1313266791 /nfs/dbraw/zinc/26/67/91/1313266791.db2.gz FYQYOEDXRFNQSO-OKZBNKHCSA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049759632 1313268795 /nfs/dbraw/zinc/26/87/95/1313268795.db2.gz RBSVJRTVECGNRU-ARFHVFGLSA-N 2 2 336.867 2.652 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049759632 1313268799 /nfs/dbraw/zinc/26/87/99/1313268799.db2.gz RBSVJRTVECGNRU-ARFHVFGLSA-N 2 2 336.867 2.652 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553232 1313311673 /nfs/dbraw/zinc/31/16/73/1313311673.db2.gz QSRJTLZMDJHQIA-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553229 1313311681 /nfs/dbraw/zinc/31/16/81/1313311681.db2.gz QSRJTLZMDJHQIA-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCC#N)C3)C2)cc1C#N ZINC001277943472 1313316273 /nfs/dbraw/zinc/31/62/73/1313316273.db2.gz WSXOGKPNQDPXTM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](CCCC#N)C3)C2)cc1C#N ZINC001277943472 1313316276 /nfs/dbraw/zinc/31/62/76/1313316276.db2.gz WSXOGKPNQDPXTM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](CCCC#N)C3)C2)cc1C#N ZINC001277943472 1313316279 /nfs/dbraw/zinc/31/62/79/1313316279.db2.gz WSXOGKPNQDPXTM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CCCC#N)C3)C2)cc1C#N ZINC001277943472 1313316281 /nfs/dbraw/zinc/31/62/81/1313316281.db2.gz WSXOGKPNQDPXTM-HXUWFJFHSA-N 2 2 339.487 2.879 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001201744529 1297044786 /nfs/dbraw/zinc/04/47/86/1297044786.db2.gz QOXLOWXNEDVMIE-UHFFFAOYSA-N 2 2 334.508 2.904 20 30 EFEDLP 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/nfs/dbraw/zinc/78/37/32/1300783732.db2.gz TVMPDLGAQPABEO-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963407995 1300783741 /nfs/dbraw/zinc/78/37/41/1300783741.db2.gz TVMPDLGAQPABEO-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238102855 1313760773 /nfs/dbraw/zinc/76/07/73/1313760773.db2.gz DKVHBAQWQSJLCS-RBUKOAKNSA-N 2 2 327.428 2.660 20 30 EFEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238102855 1313760775 /nfs/dbraw/zinc/76/07/75/1313760775.db2.gz DKVHBAQWQSJLCS-RBUKOAKNSA-N 2 2 327.428 2.660 20 30 EFEDLP C=CCOC(=O)N1CCC2(C[NH+](Cc3cccc4c[nH+]cn43)C2)CC1 ZINC001238103607 1313760870 /nfs/dbraw/zinc/76/08/70/1313760870.db2.gz NFBYSNIMRPWGGA-UHFFFAOYSA-N 2 2 340.427 2.555 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790743 1313776310 /nfs/dbraw/zinc/77/63/10/1313776310.db2.gz XSKIWPAWNPNRSR-CZUORRHYSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790743 1313776313 /nfs/dbraw/zinc/77/63/13/1313776313.db2.gz XSKIWPAWNPNRSR-CZUORRHYSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790743 1313776317 /nfs/dbraw/zinc/77/63/17/1313776317.db2.gz XSKIWPAWNPNRSR-CZUORRHYSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790743 1313776321 /nfs/dbraw/zinc/77/63/21/1313776321.db2.gz XSKIWPAWNPNRSR-CZUORRHYSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000964323387 1301724774 /nfs/dbraw/zinc/72/47/74/1301724774.db2.gz XRAUGJHRJZOQPJ-UHFFFAOYSA-N 2 2 344.846 2.717 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018334246 1313818260 /nfs/dbraw/zinc/81/82/60/1313818260.db2.gz MSIZBIRMZUMIRS-CALCHBBNSA-N 2 2 345.487 2.986 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018334246 1313818264 /nfs/dbraw/zinc/81/82/64/1313818264.db2.gz MSIZBIRMZUMIRS-CALCHBBNSA-N 2 2 345.487 2.986 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1CC ZINC001037846899 1303558614 /nfs/dbraw/zinc/55/86/14/1303558614.db2.gz WLVOGKQYGDIXEM-FUHWJXTLSA-N 2 2 344.503 2.555 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435918 1313928356 /nfs/dbraw/zinc/92/83/56/1313928356.db2.gz RBIGJKDFZLTMOP-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450755 1313931580 /nfs/dbraw/zinc/93/15/80/1313931580.db2.gz KLZVOQVRDKNFNT-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486144 1304009281 /nfs/dbraw/zinc/00/92/81/1304009281.db2.gz CKMLQLNIIFGMOL-ZBFHGGJFSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966486144 1304009291 /nfs/dbraw/zinc/00/92/91/1304009291.db2.gz CKMLQLNIIFGMOL-ZBFHGGJFSA-N 2 2 335.517 2.826 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001037880711 1304130412 /nfs/dbraw/zinc/13/04/12/1304130412.db2.gz LAGDNCKDPYZPJJ-JKSUJKDBSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001037881487 1304146251 /nfs/dbraw/zinc/14/62/51/1304146251.db2.gz CKRAFPINLUURHG-GOEBONIOSA-N 2 2 326.444 2.969 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114426869 1304387639 /nfs/dbraw/zinc/38/76/39/1304387639.db2.gz VIVLDAKKIUGEKL-JLOCXQCDSA-N 2 2 330.476 2.530 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114426869 1304387648 /nfs/dbraw/zinc/38/76/48/1304387648.db2.gz VIVLDAKKIUGEKL-JLOCXQCDSA-N 2 2 330.476 2.530 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114426869 1304387653 /nfs/dbraw/zinc/38/76/53/1304387653.db2.gz VIVLDAKKIUGEKL-JLOCXQCDSA-N 2 2 330.476 2.530 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114426869 1304387660 /nfs/dbraw/zinc/38/76/60/1304387660.db2.gz VIVLDAKKIUGEKL-JLOCXQCDSA-N 2 2 330.476 2.530 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114900976 1304581192 /nfs/dbraw/zinc/58/11/92/1304581192.db2.gz AWNUXGPLLFEGEM-IMBTUZDBSA-N 2 2 332.492 2.851 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114900976 1304581198 /nfs/dbraw/zinc/58/11/98/1304581198.db2.gz AWNUXGPLLFEGEM-IMBTUZDBSA-N 2 2 332.492 2.851 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090400 1304655536 /nfs/dbraw/zinc/65/55/36/1304655536.db2.gz TXCXYRPHDAETRV-YVEFUNNKSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090400 1304655540 /nfs/dbraw/zinc/65/55/40/1304655540.db2.gz TXCXYRPHDAETRV-YVEFUNNKSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397458 1304944797 /nfs/dbraw/zinc/94/47/97/1304944797.db2.gz PCYMGFDWSKOYOB-MLGOLLRUSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397458 1304944800 /nfs/dbraw/zinc/94/48/00/1304944800.db2.gz PCYMGFDWSKOYOB-MLGOLLRUSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496464 1305077196 /nfs/dbraw/zinc/07/71/96/1305077196.db2.gz LSNBUZOVEZJQLZ-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496464 1305077201 /nfs/dbraw/zinc/07/72/01/1305077201.db2.gz LSNBUZOVEZJQLZ-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1CC ZINC001037984323 1305552830 /nfs/dbraw/zinc/55/28/30/1305552830.db2.gz QUJYMSJXZYQSMA-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1CC ZINC001037984323 1305552839 /nfs/dbraw/zinc/55/28/39/1305552839.db2.gz QUJYMSJXZYQSMA-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608107 1314070790 /nfs/dbraw/zinc/07/07/90/1314070790.db2.gz KSBFFLDFKPPBRV-HXUWFJFHSA-N 2 2 337.471 2.713 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608107 1314070792 /nfs/dbraw/zinc/07/07/92/1314070792.db2.gz KSBFFLDFKPPBRV-HXUWFJFHSA-N 2 2 337.471 2.713 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608107 1314070793 /nfs/dbraw/zinc/07/07/93/1314070793.db2.gz KSBFFLDFKPPBRV-HXUWFJFHSA-N 2 2 337.471 2.713 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608107 1314070795 /nfs/dbraw/zinc/07/07/95/1314070795.db2.gz KSBFFLDFKPPBRV-HXUWFJFHSA-N 2 2 337.471 2.713 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417539 1306287892 /nfs/dbraw/zinc/28/78/92/1306287892.db2.gz FZZGKBGULMTZRP-KBXCAEBGSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417539 1306287901 /nfs/dbraw/zinc/28/79/01/1306287901.db2.gz FZZGKBGULMTZRP-KBXCAEBGSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674040 1306557679 /nfs/dbraw/zinc/55/76/79/1306557679.db2.gz OFUIOZPKADVMBD-KSSFIOAISA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674040 1306557684 /nfs/dbraw/zinc/55/76/84/1306557684.db2.gz OFUIOZPKADVMBD-KSSFIOAISA-N 2 2 349.906 2.941 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351706 1314145456 /nfs/dbraw/zinc/14/54/56/1314145456.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351706 1314145457 /nfs/dbraw/zinc/14/54/57/1314145457.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351706 1314145458 /nfs/dbraw/zinc/14/54/58/1314145458.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351706 1314145459 /nfs/dbraw/zinc/14/54/59/1314145459.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 2 332.492 2.771 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC000968896474 1306771282 /nfs/dbraw/zinc/77/12/82/1306771282.db2.gz RKBWFBAFANHTAF-MOPGFXCFSA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC000968896474 1306771284 /nfs/dbraw/zinc/77/12/84/1306771284.db2.gz RKBWFBAFANHTAF-MOPGFXCFSA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(C)(C)C ZINC000968896474 1306771289 /nfs/dbraw/zinc/77/12/89/1306771289.db2.gz RKBWFBAFANHTAF-MOPGFXCFSA-N 2 2 347.547 2.881 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(C)(C)C ZINC000968896474 1306771291 /nfs/dbraw/zinc/77/12/91/1306771291.db2.gz RKBWFBAFANHTAF-MOPGFXCFSA-N 2 2 347.547 2.881 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919581 1306794569 /nfs/dbraw/zinc/79/45/69/1306794569.db2.gz GAPDCDGCNKOAEK-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919581 1306794575 /nfs/dbraw/zinc/79/45/75/1306794575.db2.gz GAPDCDGCNKOAEK-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919581 1306794579 /nfs/dbraw/zinc/79/45/79/1306794579.db2.gz GAPDCDGCNKOAEK-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919581 1306794585 /nfs/dbraw/zinc/79/45/85/1306794585.db2.gz GAPDCDGCNKOAEK-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925882 1306804546 /nfs/dbraw/zinc/80/45/46/1306804546.db2.gz OVRULXUMUJDZRM-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925882 1306804549 /nfs/dbraw/zinc/80/45/49/1306804549.db2.gz OVRULXUMUJDZRM-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209424467 1314161780 /nfs/dbraw/zinc/16/17/80/1314161780.db2.gz QWBLNSOLQMIBOB-SFHVURJKSA-N 2 2 345.535 2.754 20 30 EFEDLP C=CCCCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209424467 1314161781 /nfs/dbraw/zinc/16/17/81/1314161781.db2.gz QWBLNSOLQMIBOB-SFHVURJKSA-N 2 2 345.535 2.754 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007331131 1307372112 /nfs/dbraw/zinc/37/21/12/1307372112.db2.gz BVCLZPVEOFHPPJ-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007331131 1307372117 /nfs/dbraw/zinc/37/21/17/1307372117.db2.gz BVCLZPVEOFHPPJ-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001045483748 1307372338 /nfs/dbraw/zinc/37/23/38/1307372338.db2.gz PHNYVALIRDVLTJ-MRXNPFEDSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001045483748 1307372344 /nfs/dbraw/zinc/37/23/44/1307372344.db2.gz PHNYVALIRDVLTJ-MRXNPFEDSA-N 2 2 344.503 2.760 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001007519163 1307487598 /nfs/dbraw/zinc/48/75/98/1307487598.db2.gz JROFINQARCHFMK-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001007519163 1307487606 /nfs/dbraw/zinc/48/76/06/1307487606.db2.gz JROFINQARCHFMK-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007519163 1307487610 /nfs/dbraw/zinc/48/76/10/1307487610.db2.gz JROFINQARCHFMK-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007519163 1307487615 /nfs/dbraw/zinc/48/76/15/1307487615.db2.gz JROFINQARCHFMK-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935472 1307933393 /nfs/dbraw/zinc/93/33/93/1307933393.db2.gz NFZULRDSHVAIBJ-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935472 1307933400 /nfs/dbraw/zinc/93/34/00/1307933400.db2.gz NFZULRDSHVAIBJ-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045968818 1308029508 /nfs/dbraw/zinc/02/95/08/1308029508.db2.gz HPXPRWPYSUXJJL-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP 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C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2ccc(OC)cc21 ZINC001159925627 1311611354 /nfs/dbraw/zinc/61/13/54/1311611354.db2.gz QGTHCIKMTYKPFP-KRWDZBQOSA-N 2 2 343.427 2.882 20 30 EFEDLP C=CCC[N@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160126055 1311648982 /nfs/dbraw/zinc/64/89/82/1311648982.db2.gz SEVCLARDNVPQHG-UHFFFAOYSA-N 2 2 338.455 2.971 20 30 EFEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160126055 1311648986 /nfs/dbraw/zinc/64/89/86/1311648986.db2.gz SEVCLARDNVPQHG-UHFFFAOYSA-N 2 2 338.455 2.971 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160430931 1311708369 /nfs/dbraw/zinc/70/83/69/1311708369.db2.gz KYVSTMRRVZBFAC-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160430931 1311708373 /nfs/dbraw/zinc/70/83/73/1311708373.db2.gz KYVSTMRRVZBFAC-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160430931 1311708375 /nfs/dbraw/zinc/70/83/75/1311708375.db2.gz KYVSTMRRVZBFAC-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160430931 1311708379 /nfs/dbraw/zinc/70/83/79/1311708379.db2.gz KYVSTMRRVZBFAC-IAGOWNOFSA-N 2 2 328.460 2.618 20 30 EFEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)CC1 ZINC001160432258 1311708727 /nfs/dbraw/zinc/70/87/27/1311708727.db2.gz RGVNRRDJGQMZGY-OAHLLOKOSA-N 2 2 342.270 2.714 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001160474086 1311719728 /nfs/dbraw/zinc/71/97/28/1311719728.db2.gz ZKICWXXBSFMDAB-UHFFFAOYSA-N 2 2 343.471 2.737 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001160474086 1311719731 /nfs/dbraw/zinc/71/97/31/1311719731.db2.gz ZKICWXXBSFMDAB-UHFFFAOYSA-N 2 2 343.471 2.737 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165217 1311770882 /nfs/dbraw/zinc/77/08/82/1311770882.db2.gz KTUWWRCPNKXXJU-GVDBMIGSSA-N 2 2 344.503 2.806 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165217 1311770884 /nfs/dbraw/zinc/77/08/84/1311770884.db2.gz KTUWWRCPNKXXJU-GVDBMIGSSA-N 2 2 344.503 2.806 20 30 EFEDLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(C#Cc3ccccc3)CC2)cc1 ZINC001161152213 1311870446 /nfs/dbraw/zinc/87/04/46/1311870446.db2.gz BRGIJEIFLNYPRP-OAQYLSRUSA-N 2 2 347.462 2.549 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001227946656 1311878000 /nfs/dbraw/zinc/87/80/00/1311878000.db2.gz GHBKBUOCNXXVMB-HNNXBMFYSA-N 2 2 331.460 2.568 20 30 EFEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161555189 1311914444 /nfs/dbraw/zinc/91/44/44/1311914444.db2.gz ZUDINRACJNPSMY-UHFFFAOYSA-N 2 2 330.476 2.837 20 30 EFEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161555189 1311914448 /nfs/dbraw/zinc/91/44/48/1311914448.db2.gz ZUDINRACJNPSMY-UHFFFAOYSA-N 2 2 330.476 2.837 20 30 EFEDLP C=CC[N@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627338 1311934820 /nfs/dbraw/zinc/93/48/20/1311934820.db2.gz HYGPFUVZIGJJPW-UHFFFAOYSA-N 2 2 336.439 2.810 20 30 EFEDLP C=CC[N@@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627338 1311934822 /nfs/dbraw/zinc/93/48/22/1311934822.db2.gz HYGPFUVZIGJJPW-UHFFFAOYSA-N 2 2 336.439 2.810 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001229139297 1312052768 /nfs/dbraw/zinc/05/27/68/1312052768.db2.gz MXTQHCDXDNDRHJ-GOEBONIOSA-N 2 2 330.476 2.765 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786550 1312107544 /nfs/dbraw/zinc/10/75/44/1312107544.db2.gz PJEQNBMSFURBOJ-OALUTQOASA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786550 1312107546 /nfs/dbraw/zinc/10/75/46/1312107546.db2.gz PJEQNBMSFURBOJ-OALUTQOASA-N 2 2 342.487 2.542 20 30 EFEDLP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163013472 1312226308 /nfs/dbraw/zinc/22/63/08/1312226308.db2.gz PJKNLYGMNKKTNM-UHFFFAOYSA-N 2 2 340.471 2.510 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230611606 1312282935 /nfs/dbraw/zinc/28/29/35/1312282935.db2.gz VSBOYFOCLUSJMA-KRWDZBQOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230611606 1312282938 /nfs/dbraw/zinc/28/29/38/1312282938.db2.gz VSBOYFOCLUSJMA-KRWDZBQOSA-N 2 2 330.476 2.621 20 30 EFEDLP CC[NH+](CC)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)C(C)C ZINC001230611479 1312283448 /nfs/dbraw/zinc/28/34/48/1312283448.db2.gz SKGDKAVLIISKGC-MOPGFXCFSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](CC)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)C(C)C ZINC001230611479 1312283451 /nfs/dbraw/zinc/28/34/51/1312283451.db2.gz SKGDKAVLIISKGC-MOPGFXCFSA-N 2 2 348.535 2.579 20 30 EFEDLP Cc1[nH+]ccn1CCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001163920325 1312408217 /nfs/dbraw/zinc/40/82/17/1312408217.db2.gz WFPLYYJRNDUOKK-NNDWLSIRSA-N 2 2 347.488 2.888 20 30 EFEDLP C[NH+](C)C1(CNc2c(F)c(F)c(C#N)c(F)c2F)CC[NH+](C)CC1 ZINC001164213107 1312469391 /nfs/dbraw/zinc/46/93/91/1312469391.db2.gz OUVQROPAIBAPFV-UHFFFAOYSA-N 2 2 344.356 2.553 20 30 EFEDLP C[NH+]1CCN(C2C[NH+](Cc3ccccc3C#Cc3ccccc3)C2)CC1 ZINC001231578058 1312527651 /nfs/dbraw/zinc/52/76/51/1312527651.db2.gz IJOPKHKLUQJNJZ-UHFFFAOYSA-N 2 2 345.490 2.518 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164540069 1312535850 /nfs/dbraw/zinc/53/58/50/1312535850.db2.gz CBDBCQFVBSMAKC-UHFFFAOYSA-N 2 2 326.444 2.709 20 30 EFEDLP Cc1[nH+]c2c(n1-c1cc(C#N)c3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC001165356435 1312615503 /nfs/dbraw/zinc/61/55/03/1312615503.db2.gz PLKACUJGUXYCQV-UHFFFAOYSA-N 2 2 337.814 2.942 20 30 EFEDLP N#Cc1cc(-c2c[nH+]cn2Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001245197536 1314450408 /nfs/dbraw/zinc/45/04/08/1314450408.db2.gz YHYXWFSRRYYESJ-UHFFFAOYSA-N 2 2 343.434 2.880 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052953565 1314513093 /nfs/dbraw/zinc/51/30/93/1314513093.db2.gz YCGVPOJSZVDYIF-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052953565 1314513097 /nfs/dbraw/zinc/51/30/97/1314513097.db2.gz YCGVPOJSZVDYIF-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001052953565 1314513099 /nfs/dbraw/zinc/51/30/99/1314513099.db2.gz YCGVPOJSZVDYIF-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001052953565 1314513103 /nfs/dbraw/zinc/51/31/03/1314513103.db2.gz YCGVPOJSZVDYIF-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)CCCCCCCC ZINC001246005581 1314565096 /nfs/dbraw/zinc/56/50/96/1314565096.db2.gz ZGNXDNMNVSBYEZ-ROUUACIJSA-N 2 2 342.524 2.914 20 30 EFEDLP CCCCCCCCCC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021848 1314567771 /nfs/dbraw/zinc/56/77/71/1314567771.db2.gz IBGNUWOAQKLKEY-UFYCRDLUSA-N 2 2 339.568 2.904 20 30 EFEDLP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246218081 1314598633 /nfs/dbraw/zinc/59/86/33/1314598633.db2.gz ZVMLYNZHSKOHRR-MOPGFXCFSA-N 2 2 342.483 2.839 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029342 1314602141 /nfs/dbraw/zinc/60/21/41/1314602141.db2.gz QHWJXQLDPZVLOB-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029342 1314602145 /nfs/dbraw/zinc/60/21/45/1314602145.db2.gz QHWJXQLDPZVLOB-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029342 1314602149 /nfs/dbraw/zinc/60/21/49/1314602149.db2.gz QHWJXQLDPZVLOB-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029342 1314602153 /nfs/dbraw/zinc/60/21/53/1314602153.db2.gz QHWJXQLDPZVLOB-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036482 1314615207 /nfs/dbraw/zinc/61/52/07/1314615207.db2.gz LQFIOGBPRJIJQG-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036482 1314615208 /nfs/dbraw/zinc/61/52/08/1314615208.db2.gz LQFIOGBPRJIJQG-RBUKOAKNSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050493 1314637369 /nfs/dbraw/zinc/63/73/69/1314637369.db2.gz JWLWKYUFFRCHFZ-MSOLQXFVSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050493 1314637373 /nfs/dbraw/zinc/63/73/73/1314637373.db2.gz JWLWKYUFFRCHFZ-MSOLQXFVSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050585 1314637478 /nfs/dbraw/zinc/63/74/78/1314637478.db2.gz KIRUIFZFBUHFBE-QZTJIDSGSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050585 1314637484 /nfs/dbraw/zinc/63/74/84/1314637484.db2.gz KIRUIFZFBUHFBE-QZTJIDSGSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[C@H](C)[NH2+]C3)CC2)C1 ZINC001246525811 1314642285 /nfs/dbraw/zinc/64/22/85/1314642285.db2.gz LHYKJZPJIKCCDG-IRXDYDNUSA-N 2 2 335.492 2.628 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090250 1314699047 /nfs/dbraw/zinc/69/90/47/1314699047.db2.gz GCUDIPCBSPTHIU-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090250 1314699049 /nfs/dbraw/zinc/69/90/49/1314699049.db2.gz GCUDIPCBSPTHIU-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246894024 1314705105 /nfs/dbraw/zinc/70/51/05/1314705105.db2.gz ZNVXCSYOMPHONQ-QUCCMNQESA-N 2 2 326.488 2.991 20 30 EFEDLP CCCCCCCCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001247166169 1314751905 /nfs/dbraw/zinc/75/19/05/1314751905.db2.gz DWRUUVWBMDISNQ-UHFFFAOYSA-N 2 2 342.597 2.837 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917408 1314757391 /nfs/dbraw/zinc/75/73/91/1314757391.db2.gz ZGCKWAHCMAEPEL-KZNAEPCWSA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964932 1314763532 /nfs/dbraw/zinc/76/35/32/1314763532.db2.gz ZAIYNHMFSBFVMK-QWQRMKEZSA-N 2 2 326.444 2.968 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988110 1314765270 /nfs/dbraw/zinc/76/52/70/1314765270.db2.gz JTMWHJCPUAOADK-ZHALLVOQSA-N 2 2 344.503 2.628 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006093 1314768846 /nfs/dbraw/zinc/76/88/46/1314768846.db2.gz RKAJHNOBCUZHDT-KZNAEPCWSA-N 2 2 346.519 2.852 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001054041439 1315207948 /nfs/dbraw/zinc/20/79/48/1315207948.db2.gz MBQQWKZVNOPQHF-UXHICEINSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001054041439 1315207954 /nfs/dbraw/zinc/20/79/54/1315207954.db2.gz MBQQWKZVNOPQHF-UXHICEINSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001054041439 1315207958 /nfs/dbraw/zinc/20/79/58/1315207958.db2.gz MBQQWKZVNOPQHF-UXHICEINSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001054041439 1315207961 /nfs/dbraw/zinc/20/79/61/1315207961.db2.gz MBQQWKZVNOPQHF-UXHICEINSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001054044532 1315212933 /nfs/dbraw/zinc/21/29/33/1315212933.db2.gz XNOFYHMLYMWPMC-SFHVURJKSA-N 2 2 346.434 2.906 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001054044532 1315212937 /nfs/dbraw/zinc/21/29/37/1315212937.db2.gz XNOFYHMLYMWPMC-SFHVURJKSA-N 2 2 346.434 2.906 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001054045232 1315216425 /nfs/dbraw/zinc/21/64/25/1315216425.db2.gz NNEKVOUUWVVXIM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001054045232 1315216426 /nfs/dbraw/zinc/21/64/26/1315216426.db2.gz NNEKVOUUWVVXIM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054045232 1315216429 /nfs/dbraw/zinc/21/64/29/1315216429.db2.gz NNEKVOUUWVVXIM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001054045232 1315216432 /nfs/dbraw/zinc/21/64/32/1315216432.db2.gz NNEKVOUUWVVXIM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218951243 1315263039 /nfs/dbraw/zinc/26/30/39/1315263039.db2.gz BCJRRSNAOMUBMP-CQSZACIVSA-N 2 2 348.328 2.788 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152440 1315376186 /nfs/dbraw/zinc/37/61/86/1315376186.db2.gz DRCHSEZJNQJJAX-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152440 1315376189 /nfs/dbraw/zinc/37/61/89/1315376189.db2.gz DRCHSEZJNQJJAX-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252127959 1315416950 /nfs/dbraw/zinc/41/69/50/1315416950.db2.gz HOKSDLCNVWIZBD-GBESFXJTSA-N 2 2 326.525 2.750 20 30 EFEDLP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252127959 1315416952 /nfs/dbraw/zinc/41/69/52/1315416952.db2.gz HOKSDLCNVWIZBD-GBESFXJTSA-N 2 2 326.525 2.750 20 30 EFEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252127959 1315416955 /nfs/dbraw/zinc/41/69/55/1315416955.db2.gz HOKSDLCNVWIZBD-GBESFXJTSA-N 2 2 326.525 2.750 20 30 EFEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252127959 1315416957 /nfs/dbraw/zinc/41/69/57/1315416957.db2.gz HOKSDLCNVWIZBD-GBESFXJTSA-N 2 2 326.525 2.750 20 30 EFEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001252138876 1315417630 /nfs/dbraw/zinc/41/76/30/1315417630.db2.gz FMDDZMVULVLALO-PKOBYXMFSA-N 2 2 326.525 2.941 20 30 EFEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001252138876 1315417632 /nfs/dbraw/zinc/41/76/32/1315417632.db2.gz FMDDZMVULVLALO-PKOBYXMFSA-N 2 2 326.525 2.941 20 30 EFEDLP C=C[C@@](C)(O)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001252548150 1315465773 /nfs/dbraw/zinc/46/57/73/1315465773.db2.gz AUNZLZZFPFENKK-HXUWFJFHSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C[C@@](C)(O)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001252548150 1315465777 /nfs/dbraw/zinc/46/57/77/1315465777.db2.gz AUNZLZZFPFENKK-HXUWFJFHSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C[C@@](C)(O)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252548150 1315465780 /nfs/dbraw/zinc/46/57/80/1315465780.db2.gz AUNZLZZFPFENKK-HXUWFJFHSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C[C@@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252548150 1315465783 /nfs/dbraw/zinc/46/57/83/1315465783.db2.gz AUNZLZZFPFENKK-HXUWFJFHSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228497 1315488453 /nfs/dbraw/zinc/48/84/53/1315488453.db2.gz RGXDWKGKDJBTAM-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228497 1315488457 /nfs/dbraw/zinc/48/84/57/1315488457.db2.gz RGXDWKGKDJBTAM-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228756 1315489946 /nfs/dbraw/zinc/48/99/46/1315489946.db2.gz ZDWJXHIADROHNV-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228756 1315489949 /nfs/dbraw/zinc/48/99/49/1315489949.db2.gz ZDWJXHIADROHNV-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001039119674 1315496967 /nfs/dbraw/zinc/49/69/67/1315496967.db2.gz CQAGCDFYAXHUGG-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001039119674 1315496971 /nfs/dbraw/zinc/49/69/71/1315496971.db2.gz CQAGCDFYAXHUGG-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039137838 1315525309 /nfs/dbraw/zinc/52/53/09/1315525309.db2.gz SCINNFNGSGEUNT-MRXNPFEDSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039137838 1315525311 /nfs/dbraw/zinc/52/53/11/1315525311.db2.gz SCINNFNGSGEUNT-MRXNPFEDSA-N 2 2 338.455 2.923 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001252982542 1315546372 /nfs/dbraw/zinc/54/63/72/1315546372.db2.gz GXWNDHVJQZLIAM-FQEVSTJZSA-N 2 2 339.568 2.810 20 30 EFEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161047 1315559057 /nfs/dbraw/zinc/55/90/57/1315559057.db2.gz GSPOCNAHLKUMHA-WMZOPIPTSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161047 1315559062 /nfs/dbraw/zinc/55/90/62/1315559062.db2.gz GSPOCNAHLKUMHA-WMZOPIPTSA-N 2 2 330.476 2.581 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccc(F)cc3)cc2F)CC1 ZINC001253080307 1315564367 /nfs/dbraw/zinc/56/43/67/1315564367.db2.gz QFKBPWRCHSLVMN-UHFFFAOYSA-N 2 2 344.409 2.840 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174519 1315579451 /nfs/dbraw/zinc/57/94/51/1315579451.db2.gz YATYKFVMSCFBFH-QGZVFWFLSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174519 1315579453 /nfs/dbraw/zinc/57/94/53/1315579453.db2.gz YATYKFVMSCFBFH-QGZVFWFLSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216974 1315635673 /nfs/dbraw/zinc/63/56/73/1315635673.db2.gz BLFMZADKVIGQRX-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216974 1315635676 /nfs/dbraw/zinc/63/56/76/1315635676.db2.gz BLFMZADKVIGQRX-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216972 1315635866 /nfs/dbraw/zinc/63/58/66/1315635866.db2.gz BLFMZADKVIGQRX-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216972 1315635868 /nfs/dbraw/zinc/63/58/68/1315635868.db2.gz BLFMZADKVIGQRX-FUHWJXTLSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255672 1315686786 /nfs/dbraw/zinc/68/67/86/1315686786.db2.gz FHPISVGMKSBDGA-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255672 1315686788 /nfs/dbraw/zinc/68/67/88/1315686788.db2.gz FHPISVGMKSBDGA-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039277190 1315698564 /nfs/dbraw/zinc/69/85/64/1315698564.db2.gz CQKIBMKZUYWOIS-AYHJJNSGSA-N 2 2 338.455 2.944 20 30 EFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039281508 1315700144 /nfs/dbraw/zinc/70/01/44/1315700144.db2.gz QYKBMERGUGZVNT-WFDRTZIDSA-N 2 2 348.878 2.767 20 30 EFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039281508 1315700147 /nfs/dbraw/zinc/70/01/47/1315700147.db2.gz QYKBMERGUGZVNT-WFDRTZIDSA-N 2 2 348.878 2.767 20 30 EFEDLP N#Cc1cccc(O[C@H]2CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863458 1315751565 /nfs/dbraw/zinc/75/15/65/1315751565.db2.gz FDFGZMTZRCRCRS-ICSRJNTNSA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1cccc(O[C@H]2CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)c1 ZINC001254863458 1315751567 /nfs/dbraw/zinc/75/15/67/1315751567.db2.gz FDFGZMTZRCRCRS-ICSRJNTNSA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1ccc(O[C@H]2CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868560 1315753170 /nfs/dbraw/zinc/75/31/70/1315753170.db2.gz PWSPFHPGTQRDBJ-ICSRJNTNSA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1ccc(O[C@H]2CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868560 1315753173 /nfs/dbraw/zinc/75/31/73/1315753173.db2.gz PWSPFHPGTQRDBJ-ICSRJNTNSA-N 2 2 325.456 2.886 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039413623 1315775559 /nfs/dbraw/zinc/77/55/59/1315775559.db2.gz UNAILXYXLURFGI-MOPGFXCFSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039413623 1315775562 /nfs/dbraw/zinc/77/55/62/1315775562.db2.gz UNAILXYXLURFGI-MOPGFXCFSA-N 2 2 336.439 2.737 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NO ZINC001255136743 1315781291 /nfs/dbraw/zinc/78/12/91/1315781291.db2.gz RXHWSHWEYFLBHG-OKYOBFRVSA-N 2 2 345.487 2.692 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NO ZINC001255136743 1315781293 /nfs/dbraw/zinc/78/12/93/1315781293.db2.gz RXHWSHWEYFLBHG-OKYOBFRVSA-N 2 2 345.487 2.692 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447855 1315797368 /nfs/dbraw/zinc/79/73/68/1315797368.db2.gz MTIYNYPGIMAQJC-SJORKVTESA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447855 1315797370 /nfs/dbraw/zinc/79/73/70/1315797370.db2.gz MTIYNYPGIMAQJC-SJORKVTESA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039473859 1315817078 /nfs/dbraw/zinc/81/70/78/1315817078.db2.gz FXXOKPCJQULEJR-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039473859 1315817080 /nfs/dbraw/zinc/81/70/80/1315817080.db2.gz FXXOKPCJQULEJR-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473859 1315817082 /nfs/dbraw/zinc/81/70/82/1315817082.db2.gz FXXOKPCJQULEJR-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473859 1315817083 /nfs/dbraw/zinc/81/70/83/1315817083.db2.gz FXXOKPCJQULEJR-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528571 1315951872 /nfs/dbraw/zinc/95/18/72/1315951872.db2.gz HNVZRTGYKZZSQH-HOJAQTOUSA-N 2 2 341.499 2.806 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528571 1315951876 /nfs/dbraw/zinc/95/18/76/1315951876.db2.gz HNVZRTGYKZZSQH-HOJAQTOUSA-N 2 2 341.499 2.806 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256537179 1315952945 /nfs/dbraw/zinc/95/29/45/1315952945.db2.gz LQYMVWOHCFKMNZ-SZMVWBNQSA-N 2 2 333.476 2.549 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256537179 1315952949 /nfs/dbraw/zinc/95/29/49/1315952949.db2.gz LQYMVWOHCFKMNZ-SZMVWBNQSA-N 2 2 333.476 2.549 20 30 EFEDLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963858 1316015176 /nfs/dbraw/zinc/01/51/76/1316015176.db2.gz RBXZRDHRVPWEJP-QUDVFMAMSA-N 2 2 327.472 2.948 20 30 EFEDLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963858 1316015178 /nfs/dbraw/zinc/01/51/78/1316015178.db2.gz RBXZRDHRVPWEJP-QUDVFMAMSA-N 2 2 327.472 2.948 20 30 EFEDLP CCCCCCC[C@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001258046772 1316115143 /nfs/dbraw/zinc/11/51/43/1316115143.db2.gz DMXYWAFDNZXZFQ-IBGZPJMESA-N 2 2 325.541 2.685 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040252622 1316166526 /nfs/dbraw/zinc/16/65/26/1316166526.db2.gz GZINHKOCRIFMGI-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040252622 1316166527 /nfs/dbraw/zinc/16/65/27/1316166527.db2.gz GZINHKOCRIFMGI-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001040252622 1316166528 /nfs/dbraw/zinc/16/65/28/1316166528.db2.gz GZINHKOCRIFMGI-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001040252622 1316166530 /nfs/dbraw/zinc/16/65/30/1316166530.db2.gz GZINHKOCRIFMGI-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040265087 1316173924 /nfs/dbraw/zinc/17/39/24/1316173924.db2.gz VUPCGOYITXXEML-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040265087 1316173926 /nfs/dbraw/zinc/17/39/26/1316173926.db2.gz VUPCGOYITXXEML-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001258907228 1316190999 /nfs/dbraw/zinc/19/09/99/1316190999.db2.gz OTIFIVMEYUHDDC-VQIMIIECSA-N 2 2 345.487 2.742 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425123 1316256944 /nfs/dbraw/zinc/25/69/44/1316256944.db2.gz QBVRTEAIZRAUHV-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425123 1316256946 /nfs/dbraw/zinc/25/69/46/1316256946.db2.gz QBVRTEAIZRAUHV-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443866 1316269486 /nfs/dbraw/zinc/26/94/86/1316269486.db2.gz NFGLHTZIEBHWGF-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040443866 1316269490 /nfs/dbraw/zinc/26/94/90/1316269490.db2.gz NFGLHTZIEBHWGF-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443866 1316269493 /nfs/dbraw/zinc/26/94/93/1316269493.db2.gz NFGLHTZIEBHWGF-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040443866 1316269497 /nfs/dbraw/zinc/26/94/97/1316269497.db2.gz NFGLHTZIEBHWGF-XLIONFOSSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493944 1316292819 /nfs/dbraw/zinc/29/28/19/1316292819.db2.gz RJGQFNPDOLZWTC-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493944 1316292822 /nfs/dbraw/zinc/29/28/22/1316292822.db2.gz RJGQFNPDOLZWTC-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001040513033 1316301796 /nfs/dbraw/zinc/30/17/96/1316301796.db2.gz KOCFKGUBKAQFLY-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001040513033 1316301798 /nfs/dbraw/zinc/30/17/98/1316301798.db2.gz KOCFKGUBKAQFLY-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001040735623 1316363143 /nfs/dbraw/zinc/36/31/43/1316363143.db2.gz VLZNKIDSIDYTEI-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001040735623 1316363147 /nfs/dbraw/zinc/36/31/47/1316363147.db2.gz VLZNKIDSIDYTEI-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C#CCC[NH+]1CCC2(CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)CC1 ZINC001040784313 1316374491 /nfs/dbraw/zinc/37/44/91/1316374491.db2.gz FBUUTAFYOZMOPX-UHFFFAOYSA-N 2 2 339.483 2.958 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001040914731 1316403981 /nfs/dbraw/zinc/40/39/81/1316403981.db2.gz SLPCUAQMJJSWPK-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001041471090 1316561136 /nfs/dbraw/zinc/56/11/36/1316561136.db2.gz RCFYKKTWETZPEJ-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001041471090 1316561138 /nfs/dbraw/zinc/56/11/38/1316561138.db2.gz RCFYKKTWETZPEJ-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042062173 1316852251 /nfs/dbraw/zinc/85/22/51/1316852251.db2.gz KCVAMQPIMYZSIR-SJLPKXTDSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042062173 1316852253 /nfs/dbraw/zinc/85/22/53/1316852253.db2.gz KCVAMQPIMYZSIR-SJLPKXTDSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042063342 1316853631 /nfs/dbraw/zinc/85/36/31/1316853631.db2.gz VCWCFSQCQZAGSG-SJLPKXTDSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042063342 1316853634 /nfs/dbraw/zinc/85/36/34/1316853634.db2.gz VCWCFSQCQZAGSG-SJLPKXTDSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115547 1316888866 /nfs/dbraw/zinc/88/88/66/1316888866.db2.gz YEAAFJBTLSTQQW-QZTJIDSGSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001042115547 1316888869 /nfs/dbraw/zinc/88/88/69/1316888869.db2.gz YEAAFJBTLSTQQW-QZTJIDSGSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042115548 1316889042 /nfs/dbraw/zinc/88/90/42/1316889042.db2.gz YEAAFJBTLSTQQW-ROUUACIJSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042115548 1316889044 /nfs/dbraw/zinc/88/90/44/1316889044.db2.gz YEAAFJBTLSTQQW-ROUUACIJSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116036 1316889609 /nfs/dbraw/zinc/88/96/09/1316889609.db2.gz FZCSHFZVULQEEZ-DYVFJYSZSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116036 1316889612 /nfs/dbraw/zinc/88/96/12/1316889612.db2.gz FZCSHFZVULQEEZ-DYVFJYSZSA-N 2 2 344.846 2.852 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001042168031 1316926166 /nfs/dbraw/zinc/92/61/66/1316926166.db2.gz RDZFOKVHQNBFHG-APWZRJJASA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001042168031 1316926168 /nfs/dbraw/zinc/92/61/68/1316926168.db2.gz RDZFOKVHQNBFHG-APWZRJJASA-N 2 2 336.439 2.595 20 30 EFEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279233769 1317215357 /nfs/dbraw/zinc/21/53/57/1317215357.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279233769 1317215364 /nfs/dbraw/zinc/21/53/64/1317215364.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279233769 1317215372 /nfs/dbraw/zinc/21/53/72/1317215372.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001279233769 1317215377 /nfs/dbraw/zinc/21/53/77/1317215377.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP C#CCCC[N@@H+]1CCc2cc(C(=O)Nc3cccc4[nH+]ccn43)[nH]c2C1 ZINC001279750361 1317375609 /nfs/dbraw/zinc/37/56/09/1317375609.db2.gz VQIIIUKZBLRKCI-UHFFFAOYSA-N 2 2 347.422 2.686 20 30 EFEDLP C#CCCC[N@H+]1CCc2cc(C(=O)Nc3cccc4[nH+]ccn43)[nH]c2C1 ZINC001279750361 1317375618 /nfs/dbraw/zinc/37/56/18/1317375618.db2.gz VQIIIUKZBLRKCI-UHFFFAOYSA-N 2 2 347.422 2.686 20 30 EFEDLP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001329068399 1330662540 /nfs/dbraw/zinc/66/25/40/1330662540.db2.gz UIKLXCSHEMWAOV-LJQANCHMSA-N 2 2 325.456 2.541 20 30 EFEDLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC001329133302 1330671787 /nfs/dbraw/zinc/67/17/87/1330671787.db2.gz BYDUPEXSOCFZHB-INIZCTEOSA-N 2 2 328.460 2.597 20 30 EFEDLP C#CCCOc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001331564102 1330853354 /nfs/dbraw/zinc/85/33/54/1330853354.db2.gz BUYCCYPNTBJHSO-UHFFFAOYSA-N 2 2 342.483 2.822 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001340248503 1332160923 /nfs/dbraw/zinc/16/09/23/1332160923.db2.gz JCZNGQSDKVSTCC-IBGZPJMESA-N 2 2 344.503 2.521 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001341605419 1332270425 /nfs/dbraw/zinc/27/04/25/1332270425.db2.gz OBNRQSAKFQUTGS-LPHOPBHVSA-N 2 2 345.487 2.584 20 30 EFEDLP C=CCCC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001100541630 1334246713 /nfs/dbraw/zinc/24/67/13/1334246713.db2.gz SKMFNXANKUHDIJ-UHFFFAOYSA-N 2 2 338.455 2.937 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366907658 1338193047 /nfs/dbraw/zinc/19/30/47/1338193047.db2.gz UNIIBPALOCKHRN-INIZCTEOSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366907658 1338193051 /nfs/dbraw/zinc/19/30/51/1338193051.db2.gz UNIIBPALOCKHRN-INIZCTEOSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001367629434 1338888942 /nfs/dbraw/zinc/88/89/42/1338888942.db2.gz CZUNBYPQTUNFQF-UONOGXRCSA-N 2 2 332.835 2.575 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCC[C@H]1C ZINC001373907844 1341198763 /nfs/dbraw/zinc/19/87/63/1341198763.db2.gz YGDRHMNHDIKGHR-DYVFJYSZSA-N 2 2 338.883 2.750 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001375240845 1342544249 /nfs/dbraw/zinc/54/42/49/1342544249.db2.gz CNUPCZMWCSGBEL-QGZVFWFLSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001393857627 1357215823 /nfs/dbraw/zinc/21/58/23/1357215823.db2.gz DWGHRUVSJYTJQR-INIZCTEOSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001379115075 1345592733 /nfs/dbraw/zinc/59/27/33/1345592733.db2.gz CSFKQCKEYCHHJA-KRWDZBQOSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001379115075 1345592738 /nfs/dbraw/zinc/59/27/38/1345592738.db2.gz CSFKQCKEYCHHJA-KRWDZBQOSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001379115075 1345592742 /nfs/dbraw/zinc/59/27/42/1345592742.db2.gz CSFKQCKEYCHHJA-KRWDZBQOSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001379115075 1345592746 /nfs/dbraw/zinc/59/27/46/1345592746.db2.gz CSFKQCKEYCHHJA-KRWDZBQOSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001381761679 1348509428 /nfs/dbraw/zinc/50/94/28/1348509428.db2.gz DRJJKMQDZYEQGB-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001381761679 1348509429 /nfs/dbraw/zinc/50/94/29/1348509429.db2.gz DRJJKMQDZYEQGB-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001391285515 1355020522 /nfs/dbraw/zinc/02/05/22/1355020522.db2.gz VCOWBASOFNZFFS-QGZVFWFLSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001391285515 1355020529 /nfs/dbraw/zinc/02/05/29/1355020529.db2.gz VCOWBASOFNZFFS-QGZVFWFLSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001393393071 1356813322 /nfs/dbraw/zinc/81/33/22/1356813322.db2.gz XUZJHVAPWBYOKU-KBPBESRZSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001400144938 1361780694 /nfs/dbraw/zinc/78/06/94/1361780694.db2.gz MEEPHPOXOGXQFX-KRWDZBQOSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001400144938 1361780697 /nfs/dbraw/zinc/78/06/97/1361780697.db2.gz MEEPHPOXOGXQFX-KRWDZBQOSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001401075170 1362416137 /nfs/dbraw/zinc/41/61/37/1362416137.db2.gz MAXQTGHMQXBYMK-OAHLLOKOSA-N 2 2 338.883 2.805 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001401309179 1362656404 /nfs/dbraw/zinc/65/64/04/1362656404.db2.gz JVJQRAXIYKBATI-UHFFFAOYSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001401309179 1362656406 /nfs/dbraw/zinc/65/64/06/1362656406.db2.gz JVJQRAXIYKBATI-UHFFFAOYSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001403172260 1364394569 /nfs/dbraw/zinc/39/45/69/1364394569.db2.gz NVUGZNPSYRDMND-OAHLLOKOSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001403172260 1364394573 /nfs/dbraw/zinc/39/45/73/1364394573.db2.gz NVUGZNPSYRDMND-OAHLLOKOSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403283176 1364496911 /nfs/dbraw/zinc/49/69/11/1364496911.db2.gz CNFZGOOBFKAPHZ-JKSUJKDBSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403283176 1364496917 /nfs/dbraw/zinc/49/69/17/1364496917.db2.gz CNFZGOOBFKAPHZ-JKSUJKDBSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001403287434 1364503152 /nfs/dbraw/zinc/50/31/52/1364503152.db2.gz MYHYBPQERVJPCE-INIZCTEOSA-N 2 2 338.883 2.777 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001403287434 1364503159 /nfs/dbraw/zinc/50/31/59/1364503159.db2.gz MYHYBPQERVJPCE-INIZCTEOSA-N 2 2 338.883 2.777 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001403311015 1364527216 /nfs/dbraw/zinc/52/72/16/1364527216.db2.gz IGEIXXRAGLEOAF-HNNXBMFYSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001403311015 1364527222 /nfs/dbraw/zinc/52/72/22/1364527222.db2.gz IGEIXXRAGLEOAF-HNNXBMFYSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC ZINC001406806662 1368079283 /nfs/dbraw/zinc/07/92/83/1368079283.db2.gz KRPQCFCNUAOTDL-CVEARBPZSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001419413383 1375240368 /nfs/dbraw/zinc/24/03/68/1375240368.db2.gz FDFXENWYHYGYGT-OAHLLOKOSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420086642 1376440975 /nfs/dbraw/zinc/44/09/75/1376440975.db2.gz LUZZLWIIWXQFOK-TZMCWYRMSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC001421756962 1379086616 /nfs/dbraw/zinc/08/66/16/1379086616.db2.gz NZZXSJRGVVYEQH-UHFFFAOYSA-N 2 2 344.846 2.867 20 30 EFEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001422458128 1380135423 /nfs/dbraw/zinc/13/54/23/1380135423.db2.gz UAIIIVCJCNJVOK-UHFFFAOYSA-N 2 2 334.851 2.775 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001423404836 1381912195 /nfs/dbraw/zinc/91/21/95/1381912195.db2.gz INVPMLBVKAXBMR-OCCSQVGLSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001423404829 1381912845 /nfs/dbraw/zinc/91/28/45/1381912845.db2.gz INVPMLBVKAXBMR-JSGCOSHPSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001501189800 1403483798 /nfs/dbraw/zinc/48/37/98/1403483798.db2.gz BZPZCTIYFNLJAO-SHTZXODSSA-N 2 2 338.883 2.525 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001505928447 1405238614 /nfs/dbraw/zinc/23/86/14/1405238614.db2.gz FZHODDYKNUAMFC-GFCCVEGCSA-N 2 2 329.897 2.612 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001505928447 1405238625 /nfs/dbraw/zinc/23/86/25/1405238625.db2.gz FZHODDYKNUAMFC-GFCCVEGCSA-N 2 2 329.897 2.612 20 30 EFEDLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)c(C)[nH+]1 ZINC001020414949 712965080 /nfs/dbraw/zinc/96/50/80/712965080.db2.gz UKTOLTJXRNZMHI-WGSAOQKQSA-N 2 2 348.450 2.929 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970681066 713900875 /nfs/dbraw/zinc/90/08/75/713900875.db2.gz GMBYXVZTWNOFHB-INIZCTEOSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970718891 713931421 /nfs/dbraw/zinc/93/14/21/713931421.db2.gz NERQCJVYDAWNCK-NVXWUHKLSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970718891 713931427 /nfs/dbraw/zinc/93/14/27/713931427.db2.gz NERQCJVYDAWNCK-NVXWUHKLSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576002 714121635 /nfs/dbraw/zinc/12/16/35/714121635.db2.gz QBCHLSCNYDYNJD-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576002 714121636 /nfs/dbraw/zinc/12/16/36/714121636.db2.gz QBCHLSCNYDYNJD-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611589 714176621 /nfs/dbraw/zinc/17/66/21/714176621.db2.gz PZBXUJOXQAIJKH-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611589 714176622 /nfs/dbraw/zinc/17/66/22/714176622.db2.gz PZBXUJOXQAIJKH-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612755 714176815 /nfs/dbraw/zinc/17/68/15/714176815.db2.gz FOIMXZRKLVLQHG-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612755 714176817 /nfs/dbraw/zinc/17/68/17/714176817.db2.gz FOIMXZRKLVLQHG-DNVCBOLYSA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638371 714220816 /nfs/dbraw/zinc/22/08/16/714220816.db2.gz INFNBQHXEXJADO-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638371 714220817 /nfs/dbraw/zinc/22/08/17/714220817.db2.gz INFNBQHXEXJADO-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442742 714511329 /nfs/dbraw/zinc/51/13/29/714511329.db2.gz YXFKSPUGHGTARR-IAGOWNOFSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442742 714511331 /nfs/dbraw/zinc/51/13/31/714511331.db2.gz YXFKSPUGHGTARR-IAGOWNOFSA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000900000630 715314326 /nfs/dbraw/zinc/31/43/26/715314326.db2.gz QBGUXNAGSDSBOY-QGZVFWFLSA-N 2 2 342.443 2.925 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035722 715458635 /nfs/dbraw/zinc/45/86/35/715458635.db2.gz BVLXLLLLJAYVMO-HOCLYGCPSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035722 715458640 /nfs/dbraw/zinc/45/86/40/715458640.db2.gz BVLXLLLLJAYVMO-HOCLYGCPSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481093 715980419 /nfs/dbraw/zinc/98/04/19/715980419.db2.gz OZUKSFIMYYJNAJ-OAHLLOKOSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481093 715980423 /nfs/dbraw/zinc/98/04/23/715980423.db2.gz OZUKSFIMYYJNAJ-OAHLLOKOSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469461 716506025 /nfs/dbraw/zinc/50/60/25/716506025.db2.gz DRWMPHRWAMCTAX-CQSZACIVSA-N 2 2 332.835 2.529 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469461 716506031 /nfs/dbraw/zinc/50/60/31/716506031.db2.gz DRWMPHRWAMCTAX-CQSZACIVSA-N 2 2 332.835 2.529 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696650 716539567 /nfs/dbraw/zinc/53/95/67/716539567.db2.gz QADPSSJNRYOGLW-QZTJIDSGSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696650 716539571 /nfs/dbraw/zinc/53/95/71/716539571.db2.gz QADPSSJNRYOGLW-QZTJIDSGSA-N 2 2 349.906 2.965 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514244 716570543 /nfs/dbraw/zinc/57/05/43/716570543.db2.gz JPTAIUCSMQQLMJ-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514244 716570549 /nfs/dbraw/zinc/57/05/49/716570549.db2.gz JPTAIUCSMQQLMJ-KRWDZBQOSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929826 717228778 /nfs/dbraw/zinc/22/87/78/717228778.db2.gz JTRIVRUECHJEQG-IAGOWNOFSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929826 717228784 /nfs/dbraw/zinc/22/87/84/717228784.db2.gz JTRIVRUECHJEQG-IAGOWNOFSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929826 717228792 /nfs/dbraw/zinc/22/87/92/717228792.db2.gz JTRIVRUECHJEQG-IAGOWNOFSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929826 717228796 /nfs/dbraw/zinc/22/87/96/717228796.db2.gz JTRIVRUECHJEQG-IAGOWNOFSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483416 717341211 /nfs/dbraw/zinc/34/12/11/717341211.db2.gz PAJSUADDNIDPLV-MRXNPFEDSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483416 717341215 /nfs/dbraw/zinc/34/12/15/717341215.db2.gz PAJSUADDNIDPLV-MRXNPFEDSA-N 2 2 335.879 2.647 20 30 EFEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC000979714498 717358591 /nfs/dbraw/zinc/35/85/91/717358591.db2.gz PBXDMHFZFKYAKD-BZSNNMDCSA-N 2 2 338.455 2.659 20 30 EFEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC000979714498 717358592 /nfs/dbraw/zinc/35/85/92/717358592.db2.gz PBXDMHFZFKYAKD-BZSNNMDCSA-N 2 2 338.455 2.659 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027942639 717369941 /nfs/dbraw/zinc/36/99/41/717369941.db2.gz FUEBJRHCWSLWPW-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027942639 717369944 /nfs/dbraw/zinc/36/99/44/717369944.db2.gz FUEBJRHCWSLWPW-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027942639 717369947 /nfs/dbraw/zinc/36/99/47/717369947.db2.gz FUEBJRHCWSLWPW-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027942639 717369951 /nfs/dbraw/zinc/36/99/51/717369951.db2.gz FUEBJRHCWSLWPW-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027942586 717370160 /nfs/dbraw/zinc/37/01/60/717370160.db2.gz DWVLTXLXWNILGA-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027942586 717370161 /nfs/dbraw/zinc/37/01/61/717370161.db2.gz DWVLTXLXWNILGA-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027942586 717370163 /nfs/dbraw/zinc/37/01/63/717370163.db2.gz DWVLTXLXWNILGA-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027942586 717370166 /nfs/dbraw/zinc/37/01/66/717370166.db2.gz DWVLTXLXWNILGA-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972495 717625976 /nfs/dbraw/zinc/62/59/76/717625976.db2.gz AZCGTGOXPJAGDZ-UAGQMJEPSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972495 717625979 /nfs/dbraw/zinc/62/59/79/717625979.db2.gz AZCGTGOXPJAGDZ-UAGQMJEPSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024736626 718119135 /nfs/dbraw/zinc/11/91/35/718119135.db2.gz DBANWSDSBSUUBZ-KRWDZBQOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024736626 718119137 /nfs/dbraw/zinc/11/91/37/718119137.db2.gz DBANWSDSBSUUBZ-KRWDZBQOSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981169208 718163201 /nfs/dbraw/zinc/16/32/01/718163201.db2.gz YGFLTAKOFLSFGE-HUUCEWRRSA-N 2 2 338.883 2.696 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024811881 718175564 /nfs/dbraw/zinc/17/55/64/718175564.db2.gz DFMOYELDEQCNPG-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024811881 718175565 /nfs/dbraw/zinc/17/55/65/718175565.db2.gz DFMOYELDEQCNPG-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024811881 718175566 /nfs/dbraw/zinc/17/55/66/718175566.db2.gz DFMOYELDEQCNPG-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024811881 718175567 /nfs/dbraw/zinc/17/55/67/718175567.db2.gz DFMOYELDEQCNPG-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245469 718470214 /nfs/dbraw/zinc/47/02/14/718470214.db2.gz MYRFAWYHHLJLIT-OALUTQOASA-N 2 2 336.439 2.655 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245469 718470216 /nfs/dbraw/zinc/47/02/16/718470216.db2.gz MYRFAWYHHLJLIT-OALUTQOASA-N 2 2 336.439 2.655 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245465 718470239 /nfs/dbraw/zinc/47/02/39/718470239.db2.gz MYRFAWYHHLJLIT-MOPGFXCFSA-N 2 2 336.439 2.655 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245465 718470241 /nfs/dbraw/zinc/47/02/41/718470241.db2.gz MYRFAWYHHLJLIT-MOPGFXCFSA-N 2 2 336.439 2.655 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250957 718472091 /nfs/dbraw/zinc/47/20/91/718472091.db2.gz FTVOQEGZIRQVAE-QZTJIDSGSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025250957 718472093 /nfs/dbraw/zinc/47/20/93/718472093.db2.gz FTVOQEGZIRQVAE-QZTJIDSGSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222750 718526608 /nfs/dbraw/zinc/52/66/08/718526608.db2.gz GFPRYHZYHKSTFA-KBPBESRZSA-N 2 2 332.835 2.717 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296830 718543222 /nfs/dbraw/zinc/54/32/22/718543222.db2.gz LQEBRIJIRUQEJB-MOPGFXCFSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296830 718543226 /nfs/dbraw/zinc/54/32/26/718543226.db2.gz LQEBRIJIRUQEJB-MOPGFXCFSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296834 718543803 /nfs/dbraw/zinc/54/38/03/718543803.db2.gz LQEBRIJIRUQEJB-OALUTQOASA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296834 718543804 /nfs/dbraw/zinc/54/38/04/718543804.db2.gz LQEBRIJIRUQEJB-OALUTQOASA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296835 718544032 /nfs/dbraw/zinc/54/40/32/718544032.db2.gz LQEBRIJIRUQEJB-RBUKOAKNSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001025296835 718544034 /nfs/dbraw/zinc/54/40/34/718544034.db2.gz LQEBRIJIRUQEJB-RBUKOAKNSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000981539452 718798355 /nfs/dbraw/zinc/79/83/55/718798355.db2.gz WJKXZRKUIUIZKQ-IRXDYDNUSA-N 2 2 347.528 2.699 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000981539452 718798357 /nfs/dbraw/zinc/79/83/57/718798357.db2.gz WJKXZRKUIUIZKQ-IRXDYDNUSA-N 2 2 347.528 2.699 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420365 718799446 /nfs/dbraw/zinc/79/94/46/718799446.db2.gz AWHMVICDFJDRAN-DOTOQJQBSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025420365 718799448 /nfs/dbraw/zinc/79/94/48/718799448.db2.gz AWHMVICDFJDRAN-DOTOQJQBSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000981704840 718962277 /nfs/dbraw/zinc/96/22/77/718962277.db2.gz POUVTIUKEHPYOF-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000981704840 718962280 /nfs/dbraw/zinc/96/22/80/718962280.db2.gz POUVTIUKEHPYOF-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482796 718990261 /nfs/dbraw/zinc/99/02/61/718990261.db2.gz QOAWPZVZOIYXIX-CVEARBPZSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482796 718990263 /nfs/dbraw/zinc/99/02/63/718990263.db2.gz QOAWPZVZOIYXIX-CVEARBPZSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)CC1 ZINC000892881055 719255131 /nfs/dbraw/zinc/25/51/31/719255131.db2.gz PEQSZWHYHKLXBY-UHFFFAOYSA-N 2 2 342.409 2.906 20 30 EFEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982366327 719974471 /nfs/dbraw/zinc/97/44/71/719974471.db2.gz NEGSJNNCKNLRBS-BGYRXZFFSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982366327 719974473 /nfs/dbraw/zinc/97/44/73/719974473.db2.gz NEGSJNNCKNLRBS-BGYRXZFFSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]12 ZINC001026296287 720176790 /nfs/dbraw/zinc/17/67/90/720176790.db2.gz VTWLZSSHGOHVSH-XNRPHZJLSA-N 2 2 344.846 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]12 ZINC001026312286 720211044 /nfs/dbraw/zinc/21/10/44/720211044.db2.gz UIZFOFNYISIIJI-RBSFLKMASA-N 2 2 344.846 2.527 20 30 EFEDLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001164728154 720512587 /nfs/dbraw/zinc/51/25/87/720512587.db2.gz JFHMTFJTNRVWBE-INIZCTEOSA-N 2 2 346.438 2.501 20 30 EFEDLP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001026515078 720697937 /nfs/dbraw/zinc/69/79/37/720697937.db2.gz CZEKMOLTSWRMAM-UHFFFAOYSA-N 2 2 332.835 2.946 20 30 EFEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982604979 720938137 /nfs/dbraw/zinc/93/81/37/720938137.db2.gz GSBDGEDEDHHUOP-QRQLOZEOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982604979 720938140 /nfs/dbraw/zinc/93/81/40/720938140.db2.gz GSBDGEDEDHHUOP-QRQLOZEOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581534 721186894 /nfs/dbraw/zinc/18/68/94/721186894.db2.gz FRRNGEVVUGKUMK-MRXNPFEDSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581534 721186896 /nfs/dbraw/zinc/18/68/96/721186896.db2.gz FRRNGEVVUGKUMK-MRXNPFEDSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974675158 721265909 /nfs/dbraw/zinc/26/59/09/721265909.db2.gz ASNBADPQEMJFHF-CVEARBPZSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974675158 721265914 /nfs/dbraw/zinc/26/59/14/721265914.db2.gz ASNBADPQEMJFHF-CVEARBPZSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974675158 721265916 /nfs/dbraw/zinc/26/59/16/721265916.db2.gz ASNBADPQEMJFHF-CVEARBPZSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974675158 721265922 /nfs/dbraw/zinc/26/59/22/721265922.db2.gz ASNBADPQEMJFHF-CVEARBPZSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974735473 721372752 /nfs/dbraw/zinc/37/27/52/721372752.db2.gz DHEGNNNRNZRJPT-MRXNPFEDSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974735473 721372755 /nfs/dbraw/zinc/37/27/55/721372755.db2.gz DHEGNNNRNZRJPT-MRXNPFEDSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761226 721399621 /nfs/dbraw/zinc/39/96/21/721399621.db2.gz TWRTZUPNLUVJBW-JKSUJKDBSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761226 721399625 /nfs/dbraw/zinc/39/96/25/721399625.db2.gz TWRTZUPNLUVJBW-JKSUJKDBSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761226 721399629 /nfs/dbraw/zinc/39/96/29/721399629.db2.gz TWRTZUPNLUVJBW-JKSUJKDBSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761226 721399631 /nfs/dbraw/zinc/39/96/31/721399631.db2.gz TWRTZUPNLUVJBW-JKSUJKDBSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000985799341 724895680 /nfs/dbraw/zinc/89/56/80/724895680.db2.gz GLSRGVJHHZKSJF-UHFFFAOYSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000985799341 724895682 /nfs/dbraw/zinc/89/56/82/724895682.db2.gz GLSRGVJHHZKSJF-UHFFFAOYSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000985799341 724895683 /nfs/dbraw/zinc/89/56/83/724895683.db2.gz GLSRGVJHHZKSJF-UHFFFAOYSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000985799341 724895685 /nfs/dbraw/zinc/89/56/85/724895685.db2.gz GLSRGVJHHZKSJF-UHFFFAOYSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992168124 725580760 /nfs/dbraw/zinc/58/07/60/725580760.db2.gz MVUMFRMKRXNTJV-RIFZZMRRSA-N 2 2 342.487 2.909 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992168124 725580762 /nfs/dbraw/zinc/58/07/62/725580762.db2.gz MVUMFRMKRXNTJV-RIFZZMRRSA-N 2 2 342.487 2.909 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC000992723625 726137261 /nfs/dbraw/zinc/13/72/61/726137261.db2.gz AAARHVDFNMSAHI-RCCFBDPRSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC000992723622 726137366 /nfs/dbraw/zinc/13/73/66/726137366.db2.gz AAARHVDFNMSAHI-KZNAEPCWSA-N 2 2 344.503 2.719 20 30 EFEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907817065 727023880 /nfs/dbraw/zinc/02/38/80/727023880.db2.gz ZWCDMGZFTLWNGE-HNNXBMFYSA-N 2 2 330.476 2.549 20 30 EFEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907817065 727023882 /nfs/dbraw/zinc/02/38/82/727023882.db2.gz ZWCDMGZFTLWNGE-HNNXBMFYSA-N 2 2 330.476 2.549 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993336798 727144442 /nfs/dbraw/zinc/14/44/42/727144442.db2.gz MUVGJKBESWIWCZ-FUHWJXTLSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993336798 727144445 /nfs/dbraw/zinc/14/44/45/727144445.db2.gz MUVGJKBESWIWCZ-FUHWJXTLSA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993357989 727160408 /nfs/dbraw/zinc/16/04/08/727160408.db2.gz YBTFUVJLRSGJGJ-RDJZCZTQSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993357989 727160410 /nfs/dbraw/zinc/16/04/10/727160410.db2.gz YBTFUVJLRSGJGJ-RDJZCZTQSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993488865 727292044 /nfs/dbraw/zinc/29/20/44/727292044.db2.gz HLKCHHKLWWPQAJ-SJORKVTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993488865 727292046 /nfs/dbraw/zinc/29/20/46/727292046.db2.gz HLKCHHKLWWPQAJ-SJORKVTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993488864 727292141 /nfs/dbraw/zinc/29/21/41/727292141.db2.gz HLKCHHKLWWPQAJ-IRXDYDNUSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993488864 727292144 /nfs/dbraw/zinc/29/21/44/727292144.db2.gz HLKCHHKLWWPQAJ-IRXDYDNUSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994130312 727600571 /nfs/dbraw/zinc/60/05/71/727600571.db2.gz WZWRMIILNWFKTR-NVXWUHKLSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994130312 727600573 /nfs/dbraw/zinc/60/05/73/727600573.db2.gz WZWRMIILNWFKTR-NVXWUHKLSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991470394 727882198 /nfs/dbraw/zinc/88/21/98/727882198.db2.gz HYIXYIAPAHVNQS-XFQXTVEOSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC000991470394 727882200 /nfs/dbraw/zinc/88/22/00/727882200.db2.gz HYIXYIAPAHVNQS-XFQXTVEOSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991470394 727882203 /nfs/dbraw/zinc/88/22/03/727882203.db2.gz HYIXYIAPAHVNQS-XFQXTVEOSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC000991470394 727882204 /nfs/dbraw/zinc/88/22/04/727882204.db2.gz HYIXYIAPAHVNQS-XFQXTVEOSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991477483 727890343 /nfs/dbraw/zinc/89/03/43/727890343.db2.gz XUKQGQHLZPTCQD-SQGPQFPESA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991477483 727890347 /nfs/dbraw/zinc/89/03/47/727890347.db2.gz XUKQGQHLZPTCQD-SQGPQFPESA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477479 727892619 /nfs/dbraw/zinc/89/26/19/727892619.db2.gz XUKQGQHLZPTCQD-FUHIMQAGSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991477479 727892621 /nfs/dbraw/zinc/89/26/21/727892621.db2.gz XUKQGQHLZPTCQD-FUHIMQAGSA-N 2 2 342.487 2.525 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314819 728107840 /nfs/dbraw/zinc/10/78/40/728107840.db2.gz ILEYCBDOZJCPSL-PBHICJAKSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314819 728107843 /nfs/dbraw/zinc/10/78/43/728107843.db2.gz ILEYCBDOZJCPSL-PBHICJAKSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942179518 728351428 /nfs/dbraw/zinc/35/14/28/728351428.db2.gz BHFTUECDFHVXLX-RDJZCZTQSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942179518 728351430 /nfs/dbraw/zinc/35/14/30/728351430.db2.gz BHFTUECDFHVXLX-RDJZCZTQSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918894 728359688 /nfs/dbraw/zinc/35/96/88/728359688.db2.gz UTORXUXPADNUHR-KRWDZBQOSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918894 728359690 /nfs/dbraw/zinc/35/96/90/728359690.db2.gz UTORXUXPADNUHR-KRWDZBQOSA-N 2 2 339.911 2.584 20 30 EFEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891083 728383357 /nfs/dbraw/zinc/38/33/57/728383357.db2.gz WHWZABDUYRORBN-AWEZNQCLSA-N 2 2 330.398 2.868 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001167601237 1093014106 /nfs/dbraw/zinc/01/41/06/1093014106.db2.gz QONJXNIQYVGUAR-UHFFFAOYSA-N 2 2 338.455 2.938 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203158264 1093211374 /nfs/dbraw/zinc/21/13/74/1093211374.db2.gz CYDAOGNTVDNHNY-IRXDYDNUSA-N 2 2 338.455 2.931 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112019640 1094649809 /nfs/dbraw/zinc/64/98/09/1094649809.db2.gz GSKTYWHBWRVULK-HKUYNNGSSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112019640 1094649818 /nfs/dbraw/zinc/64/98/18/1094649818.db2.gz GSKTYWHBWRVULK-HKUYNNGSSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161194 1095011915 /nfs/dbraw/zinc/01/19/15/1095011915.db2.gz PUBMWWYRPSFKLW-IRXDYDNUSA-N 2 2 338.455 2.931 20 30 EFEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087430954 1095142676 /nfs/dbraw/zinc/14/26/76/1095142676.db2.gz SDGLIAGPTUZJCU-VAMGGRTRSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087430954 1095142690 /nfs/dbraw/zinc/14/26/90/1095142690.db2.gz SDGLIAGPTUZJCU-VAMGGRTRSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087430954 1095142698 /nfs/dbraw/zinc/14/26/98/1095142698.db2.gz SDGLIAGPTUZJCU-VAMGGRTRSA-N 2 2 341.499 2.631 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087306801 1095194233 /nfs/dbraw/zinc/19/42/33/1095194233.db2.gz ORJLKJUJQYYLMO-KBAYOESNSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087306801 1095194237 /nfs/dbraw/zinc/19/42/37/1095194237.db2.gz ORJLKJUJQYYLMO-KBAYOESNSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309719 1095234661 /nfs/dbraw/zinc/23/46/61/1095234661.db2.gz KTELEVLPSVQNDR-OLMNPRSZSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309719 1095234667 /nfs/dbraw/zinc/23/46/67/1095234667.db2.gz KTELEVLPSVQNDR-OLMNPRSZSA-N 2 2 330.476 2.524 20 30 EFEDLP C=CCOC(=O)[C@@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)[C@@H](C)CC ZINC001167957330 1098507850 /nfs/dbraw/zinc/50/78/50/1098507850.db2.gz HPJLUGJEVIPDDU-WDYCEAGBSA-N 2 2 345.487 2.775 20 30 EFEDLP C=CCOC(=O)[C@@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)[C@@H](C)CC ZINC001167957330 1098507853 /nfs/dbraw/zinc/50/78/53/1098507853.db2.gz HPJLUGJEVIPDDU-WDYCEAGBSA-N 2 2 345.487 2.775 20 30 EFEDLP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101894 1099703146 /nfs/dbraw/zinc/70/31/46/1099703146.db2.gz NCBGLDZUPSYWPQ-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572455 1100543930 /nfs/dbraw/zinc/54/39/30/1100543930.db2.gz RONLIEPBXDZFRF-JKSUJKDBSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572455 1100543931 /nfs/dbraw/zinc/54/39/31/1100543931.db2.gz RONLIEPBXDZFRF-JKSUJKDBSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630852 1100612989 /nfs/dbraw/zinc/61/29/89/1100612989.db2.gz ZPNDXYRTYHQKKY-VDZJLULYSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087630852 1100612990 /nfs/dbraw/zinc/61/29/90/1100612990.db2.gz ZPNDXYRTYHQKKY-VDZJLULYSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630852 1100612991 /nfs/dbraw/zinc/61/29/91/1100612991.db2.gz ZPNDXYRTYHQKKY-VDZJLULYSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087630852 1100612993 /nfs/dbraw/zinc/61/29/93/1100612993.db2.gz ZPNDXYRTYHQKKY-VDZJLULYSA-N 2 2 344.503 2.758 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441784 1100669121 /nfs/dbraw/zinc/66/91/21/1100669121.db2.gz FVPOKSAHBCLGOR-IAGOWNOFSA-N 2 2 332.492 2.940 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088009679 1101185629 /nfs/dbraw/zinc/18/56/29/1101185629.db2.gz QBRGYBIXFOBAMP-MSOLQXFVSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088009679 1101185633 /nfs/dbraw/zinc/18/56/33/1101185633.db2.gz QBRGYBIXFOBAMP-MSOLQXFVSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001088013437 1101192468 /nfs/dbraw/zinc/19/24/68/1101192468.db2.gz DWRBQCFLSNMYSY-WBVHZDCISA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001088013437 1101192472 /nfs/dbraw/zinc/19/24/72/1101192472.db2.gz DWRBQCFLSNMYSY-WBVHZDCISA-N 2 2 338.455 2.923 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422174 1101570845 /nfs/dbraw/zinc/57/08/45/1101570845.db2.gz JGUWRHANYQVBAS-CVEARBPZSA-N 2 2 332.492 2.819 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422174 1101570855 /nfs/dbraw/zinc/57/08/55/1101570855.db2.gz JGUWRHANYQVBAS-CVEARBPZSA-N 2 2 332.492 2.819 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422177 1101571744 /nfs/dbraw/zinc/57/17/44/1101571744.db2.gz JGUWRHANYQVBAS-JKSUJKDBSA-N 2 2 332.492 2.819 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422177 1101571755 /nfs/dbraw/zinc/57/17/55/1101571755.db2.gz JGUWRHANYQVBAS-JKSUJKDBSA-N 2 2 332.492 2.819 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124588 1101609295 /nfs/dbraw/zinc/60/92/95/1101609295.db2.gz SARRUWPDQNQDTO-KURKYZTESA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124588 1101609299 /nfs/dbraw/zinc/60/92/99/1101609299.db2.gz SARRUWPDQNQDTO-KURKYZTESA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115592100 1101791330 /nfs/dbraw/zinc/79/13/30/1101791330.db2.gz SOZXWKHCRUPTIF-UHFFFAOYSA-N 2 2 332.492 2.911 20 30 EFEDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001656071283 1101935353 /nfs/dbraw/zinc/93/53/53/1101935353.db2.gz NNJYZQIKTPOUQI-UHFFFAOYSA-N 2 2 346.438 2.710 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001088391745 1103390986 /nfs/dbraw/zinc/39/09/86/1103390986.db2.gz SGKJYULZWUUKIJ-CVEARBPZSA-N 2 2 338.883 2.948 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622088 1105523116 /nfs/dbraw/zinc/52/31/16/1105523116.db2.gz GTGKZJHZNFZQEE-HYVNUMGLSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622088 1105523121 /nfs/dbraw/zinc/52/31/21/1105523121.db2.gz GTGKZJHZNFZQEE-HYVNUMGLSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622088 1105523125 /nfs/dbraw/zinc/52/31/25/1105523125.db2.gz GTGKZJHZNFZQEE-HYVNUMGLSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622088 1105523130 /nfs/dbraw/zinc/52/31/30/1105523130.db2.gz GTGKZJHZNFZQEE-HYVNUMGLSA-N 2 2 339.911 2.725 20 30 EFEDLP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832230 1105530152 /nfs/dbraw/zinc/53/01/52/1105530152.db2.gz CAOGVSBNHYHCLK-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832230 1105530157 /nfs/dbraw/zinc/53/01/57/1105530157.db2.gz CAOGVSBNHYHCLK-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105533095 1105897141 /nfs/dbraw/zinc/89/71/41/1105897141.db2.gz YJNNGIKGQMQJEC-KRWDZBQOSA-N 2 2 342.487 2.507 20 30 EFEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105575038 1105961286 /nfs/dbraw/zinc/96/12/86/1105961286.db2.gz PSADXSQYOHEBMI-SFHVURJKSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582018 1105977494 /nfs/dbraw/zinc/97/74/94/1105977494.db2.gz PDEGCAFVGYLFGU-KRWDZBQOSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115627 1107688559 /nfs/dbraw/zinc/68/85/59/1107688559.db2.gz IDDSDSSDXVJEIK-CVEARBPZSA-N 2 2 343.943 2.932 20 30 EFEDLP C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC001272429375 1108278480 /nfs/dbraw/zinc/27/84/80/1108278480.db2.gz CODJEANAHJVVNI-FQEVSTJZSA-N 2 2 336.439 2.625 20 30 EFEDLP C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC001272429375 1108278488 /nfs/dbraw/zinc/27/84/88/1108278488.db2.gz CODJEANAHJVVNI-FQEVSTJZSA-N 2 2 336.439 2.625 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324437 1109767608 /nfs/dbraw/zinc/76/76/08/1109767608.db2.gz SLGBQDPWDCAFGU-YESZJQIVSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324437 1109767613 /nfs/dbraw/zinc/76/76/13/1109767613.db2.gz SLGBQDPWDCAFGU-YESZJQIVSA-N 2 2 339.911 2.536 20 30 EFEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419397 1112099802 /nfs/dbraw/zinc/09/98/02/1112099802.db2.gz FOQGYPSURVJEPF-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419397 1112099806 /nfs/dbraw/zinc/09/98/06/1112099806.db2.gz FOQGYPSURVJEPF-INIZCTEOSA-N 2 2 338.455 2.807 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421897 1112102944 /nfs/dbraw/zinc/10/29/44/1112102944.db2.gz ZHJGHUOVCYQYIM-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089421897 1112102947 /nfs/dbraw/zinc/10/29/47/1112102947.db2.gz ZHJGHUOVCYQYIM-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423356 1112107709 /nfs/dbraw/zinc/10/77/09/1112107709.db2.gz ILILBRUQIYKFRA-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423356 1112107711 /nfs/dbraw/zinc/10/77/11/1112107711.db2.gz ILILBRUQIYKFRA-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424854 1112113360 /nfs/dbraw/zinc/11/33/60/1112113360.db2.gz ZKFOEQOWFILQPR-JKSUJKDBSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424854 1112113361 /nfs/dbraw/zinc/11/33/61/1112113361.db2.gz ZKFOEQOWFILQPR-JKSUJKDBSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424854 1112113362 /nfs/dbraw/zinc/11/33/62/1112113362.db2.gz ZKFOEQOWFILQPR-JKSUJKDBSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424854 1112113363 /nfs/dbraw/zinc/11/33/63/1112113363.db2.gz ZKFOEQOWFILQPR-JKSUJKDBSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424852 1112113389 /nfs/dbraw/zinc/11/33/89/1112113389.db2.gz ZKFOEQOWFILQPR-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC(C)(C)C1 ZINC001089424852 1112113390 /nfs/dbraw/zinc/11/33/90/1112113390.db2.gz ZKFOEQOWFILQPR-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424852 1112113391 /nfs/dbraw/zinc/11/33/91/1112113391.db2.gz ZKFOEQOWFILQPR-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC(C)(C)C1 ZINC001089424852 1112113392 /nfs/dbraw/zinc/11/33/92/1112113392.db2.gz ZKFOEQOWFILQPR-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660686 1112595725 /nfs/dbraw/zinc/59/57/25/1112595725.db2.gz NWBWVFVQICUTGA-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089660686 1112595726 /nfs/dbraw/zinc/59/57/26/1112595726.db2.gz NWBWVFVQICUTGA-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089660687 1112595900 /nfs/dbraw/zinc/59/59/00/1112595900.db2.gz NWBWVFVQICUTGA-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089660687 1112595902 /nfs/dbraw/zinc/59/59/02/1112595902.db2.gz NWBWVFVQICUTGA-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001089661746 1112601046 /nfs/dbraw/zinc/60/10/46/1112601046.db2.gz YHEPXUIWIFGHJA-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001089661746 1112601048 /nfs/dbraw/zinc/60/10/48/1112601048.db2.gz YHEPXUIWIFGHJA-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001089661746 1112601052 /nfs/dbraw/zinc/60/10/52/1112601052.db2.gz YHEPXUIWIFGHJA-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001089661746 1112601053 /nfs/dbraw/zinc/60/10/53/1112601053.db2.gz YHEPXUIWIFGHJA-HZPDHXFCSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272700003 1118417094 /nfs/dbraw/zinc/41/70/94/1118417094.db2.gz RRFHPASYVYXOEU-IBGZPJMESA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272700003 1118417095 /nfs/dbraw/zinc/41/70/95/1118417095.db2.gz RRFHPASYVYXOEU-IBGZPJMESA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCCCCC[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001272700304 1118455875 /nfs/dbraw/zinc/45/58/75/1118455875.db2.gz VAFMMBPOWNDETL-SFHVURJKSA-N 2 2 344.503 2.885 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286815 1119400289 /nfs/dbraw/zinc/40/02/89/1119400289.db2.gz GWFMKLWBUIWDRJ-ZFWWWQNUSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286815 1119400291 /nfs/dbraw/zinc/40/02/91/1119400291.db2.gz GWFMKLWBUIWDRJ-ZFWWWQNUSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875567 1119766180 /nfs/dbraw/zinc/76/61/80/1119766180.db2.gz DTGHDUHETSWDRC-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875567 1119766183 /nfs/dbraw/zinc/76/61/83/1119766183.db2.gz DTGHDUHETSWDRC-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001485817836 1119782359 /nfs/dbraw/zinc/78/23/59/1119782359.db2.gz UENZDOXJHHLFRP-HNNXBMFYSA-N 2 2 332.835 2.527 20 30 EFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1C[C@H](C)C[C@@H](C)C1 ZINC000073068242 1120521600 /nfs/dbraw/zinc/52/16/00/1120521600.db2.gz ZBBUTYGZOWKXKE-HZPDHXFCSA-N 2 2 331.508 2.705 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092799 1120569676 /nfs/dbraw/zinc/56/96/76/1120569676.db2.gz QYTXJJXXIARUTE-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092799 1120569679 /nfs/dbraw/zinc/56/96/79/1120569679.db2.gz QYTXJJXXIARUTE-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092799 1120569681 /nfs/dbraw/zinc/56/96/81/1120569681.db2.gz QYTXJJXXIARUTE-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092799 1120569686 /nfs/dbraw/zinc/56/96/86/1120569686.db2.gz QYTXJJXXIARUTE-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C[NH+]1CCC(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181698744 530049137 /nfs/dbraw/zinc/04/91/37/530049137.db2.gz ZFYQKUPDSWADKA-UHFFFAOYSA-N 3 2 340.515 2.844 20 30 EFEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cn1cc[nH+]c1 ZINC000181617278 234254564 /nfs/dbraw/zinc/25/45/64/234254564.db2.gz BFWWKLLOMAJCGI-QGZVFWFLSA-N 3 2 337.471 2.645 20 30 EFEDLP C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cn1cc[nH+]c1 ZINC000181617278 234254568 /nfs/dbraw/zinc/25/45/68/234254568.db2.gz BFWWKLLOMAJCGI-QGZVFWFLSA-N 2 2 337.471 2.645 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262519708 240358537 /nfs/dbraw/zinc/35/85/37/240358537.db2.gz QJTXRKXFUQRWJH-HRCADAONSA-N 2 2 346.523 2.510 20 30 EFEDLP C[C@@H]1CCN(C(NCCc2ccco2)=[NH+]C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000262685873 240364554 /nfs/dbraw/zinc/36/45/54/240364554.db2.gz UZYOITPROZGPRU-CRAIPNDOSA-N 2 2 341.459 2.710 20 30 EFEDLP NC(=[NH+]OCc1nccs1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000161286243 239068140 /nfs/dbraw/zinc/06/81/40/239068140.db2.gz WHAWLKGVCFKNKT-UHFFFAOYSA-N 2 2 330.457 2.966 20 30 EFEDLP NC(=[NH+]OCc1nccs1)c1ccccc1C[NH+]1CCCCC1 ZINC000161291758 239068804 /nfs/dbraw/zinc/06/88/04/239068804.db2.gz PCDATTSTFVOOBE-UHFFFAOYSA-N 2 2 330.457 2.966 20 30 EFEDLP NC(=[NH+]OCCC1CCCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000187139562 239696718 /nfs/dbraw/zinc/69/67/18/239696718.db2.gz CFMXPAGPEUBESR-UHFFFAOYSA-N 2 2 345.487 2.861 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453411 240255377 /nfs/dbraw/zinc/25/53/77/240255377.db2.gz RCAPGLQXVJVQHV-ROUUACIJSA-N 2 2 346.519 2.525 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453411 240255381 /nfs/dbraw/zinc/25/53/81/240255381.db2.gz RCAPGLQXVJVQHV-ROUUACIJSA-N 2 2 346.519 2.525 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246292273 240266608 /nfs/dbraw/zinc/26/66/08/240266608.db2.gz AYOXEXUSGUROJI-HOTGVXAUSA-N 2 2 335.517 2.535 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246292273 240266615 /nfs/dbraw/zinc/26/66/15/240266615.db2.gz AYOXEXUSGUROJI-HOTGVXAUSA-N 2 2 335.517 2.535 20 30 EFEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH+]Cc1ccccc1)N(C)C ZINC000262002105 240340883 /nfs/dbraw/zinc/34/08/83/240340883.db2.gz QFCRHRPHGCCTGW-UHFFFAOYSA-N 2 2 348.454 2.783 20 30 EFEDLP CCc1ccc(CNC(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)s1 ZINC000262782924 240369857 /nfs/dbraw/zinc/36/98/57/240369857.db2.gz JFEHDZKHPHQGFT-UHFFFAOYSA-N 2 2 331.489 2.709 20 30 EFEDLP CN1CCC[NH+]=C1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000263173429 240381346 /nfs/dbraw/zinc/38/13/46/240381346.db2.gz SKYZPQIOZQFDIA-CQSZACIVSA-N 2 2 328.382 2.589 20 30 EFEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1ccc2c(c1)CCC2 ZINC000303770254 241195148 /nfs/dbraw/zinc/19/51/48/241195148.db2.gz BUAAYLQGUJSUFD-UHFFFAOYSA-N 2 2 332.411 2.683 20 30 EFEDLP CC1(C)CC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC(C)(C)[NH2+]1 ZINC000328700376 241222320 /nfs/dbraw/zinc/22/23/20/241222320.db2.gz MQTKRQYWYFBMMN-UHFFFAOYSA-N 2 2 333.480 2.812 20 30 EFEDLP Cc1cn2cc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)ccc2[nH+]1 ZINC000329474019 241378118 /nfs/dbraw/zinc/37/81/18/241378118.db2.gz OTCHPRMCXWITHH-GOEBONIOSA-N 2 2 327.432 2.747 20 30 EFEDLP Cc1cn2cc(NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)ccc2[nH+]1 ZINC000329474023 241378433 /nfs/dbraw/zinc/37/84/33/241378433.db2.gz OTCHPRMCXWITHH-HOCLYGCPSA-N 2 2 327.432 2.747 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227663 242220261 /nfs/dbraw/zinc/22/02/61/242220261.db2.gz HCRYOXUFHNHZRY-ICSRJNTNSA-N 3 2 337.552 2.754 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OC ZINC000362967321 242269868 /nfs/dbraw/zinc/26/98/68/242269868.db2.gz PUADLYAIFXRJIE-QZTJIDSGSA-N 2 2 346.471 2.603 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OC ZINC000362967321 242269874 /nfs/dbraw/zinc/26/98/74/242269874.db2.gz PUADLYAIFXRJIE-QZTJIDSGSA-N 2 2 346.471 2.603 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C[NH3+])cc1OCC ZINC000414960343 244405883 /nfs/dbraw/zinc/40/58/83/244405883.db2.gz USBIIBNAKOJXIO-NSHDSACASA-N 2 2 343.265 2.849 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129788833 284294968 /nfs/dbraw/zinc/29/49/68/284294968.db2.gz OYNHPPAVCGCXSY-JLSDUUJJSA-N 2 2 338.411 2.552 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129788833 284294970 /nfs/dbraw/zinc/29/49/70/284294970.db2.gz OYNHPPAVCGCXSY-JLSDUUJJSA-N 2 2 338.411 2.552 20 30 EFEDLP Cc1cc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425237989 247011826 /nfs/dbraw/zinc/01/18/26/247011826.db2.gz UDUDKAJTHZQHFC-IRXDYDNUSA-N 2 2 342.487 2.977 20 30 EFEDLP Cc1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c(C#N)c[nH+]1 ZINC000425225183 247006064 /nfs/dbraw/zinc/00/60/64/247006064.db2.gz KXBMVZPEVQCTBD-UHFFFAOYSA-N 2 2 336.439 2.770 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043793 533499655 /nfs/dbraw/zinc/49/96/55/533499655.db2.gz GBBHAHJRCMBCNN-UHFFFAOYSA-N 2 2 332.492 2.800 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129371156 533503682 /nfs/dbraw/zinc/50/36/82/533503682.db2.gz UWIURBDQYJNQKU-WBVHZDCISA-N 2 2 340.427 2.725 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129371156 533503687 /nfs/dbraw/zinc/50/36/87/533503687.db2.gz UWIURBDQYJNQKU-WBVHZDCISA-N 2 2 340.427 2.725 20 30 EFEDLP C[C@H]1[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@@H+]1C ZINC000346332691 142190938 /nfs/dbraw/zinc/19/09/38/142190938.db2.gz MGVUQSUGYLEDSN-JXFKEZNVSA-N 2 2 326.488 2.595 20 30 EFEDLP C[C@H]1[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@H+]1C ZINC000346332691 142190940 /nfs/dbraw/zinc/19/09/40/142190940.db2.gz MGVUQSUGYLEDSN-JXFKEZNVSA-N 2 2 326.488 2.595 20 30 EFEDLP CCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000344034586 145352124 /nfs/dbraw/zinc/35/21/24/145352124.db2.gz OMPRGHGJYGVPDM-UHFFFAOYSA-N 3 2 340.515 2.987 20 30 EFEDLP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000344106919 145369468 /nfs/dbraw/zinc/36/94/68/145369468.db2.gz QUPNGTSXYPUAMO-MOPGFXCFSA-N 2 2 327.472 2.926 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000269690272 265845158 /nfs/dbraw/zinc/84/51/58/265845158.db2.gz WDUNCNNLCJEGEG-UHFFFAOYSA-N 2 2 344.478 2.688 20 30 EFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000271791861 266061913 /nfs/dbraw/zinc/06/19/13/266061913.db2.gz JFTDLRHZZDVCNN-HNNXBMFYSA-N 2 2 329.444 2.626 20 30 EFEDLP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271844112 266077154 /nfs/dbraw/zinc/07/71/54/266077154.db2.gz HJEIEAKUIGDOLG-LPHOPBHVSA-N 2 2 327.472 2.927 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827200 267046000 /nfs/dbraw/zinc/04/60/00/267046000.db2.gz DCUAKUHYZUWCAH-IERDGZPVSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827200 267046003 /nfs/dbraw/zinc/04/60/03/267046003.db2.gz DCUAKUHYZUWCAH-IERDGZPVSA-N 2 2 338.499 2.595 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)cc1C#N ZINC000276776397 267048797 /nfs/dbraw/zinc/04/87/97/267048797.db2.gz PTAZBMIPEBQUEM-IBGZPJMESA-N 2 2 337.471 2.778 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)cc1C#N ZINC000276776397 267048802 /nfs/dbraw/zinc/04/88/02/267048802.db2.gz PTAZBMIPEBQUEM-IBGZPJMESA-N 2 2 337.471 2.778 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)cc1C#N ZINC000276776397 267048809 /nfs/dbraw/zinc/04/88/09/267048809.db2.gz PTAZBMIPEBQUEM-IBGZPJMESA-N 2 2 337.471 2.778 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277191201 267136974 /nfs/dbraw/zinc/13/69/74/267136974.db2.gz LWWSRQUNJSVMCO-CZUORRHYSA-N 2 2 348.878 2.955 20 30 EFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277191201 267136975 /nfs/dbraw/zinc/13/69/75/267136975.db2.gz LWWSRQUNJSVMCO-CZUORRHYSA-N 2 2 348.878 2.955 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCCC[C@H]3O)CC2)cc1 ZINC000286921109 268065277 /nfs/dbraw/zinc/06/52/77/268065277.db2.gz FRDPSERHYCEYPK-WOJBJXKFSA-N 2 2 327.472 2.806 20 30 EFEDLP Cc1n[nH]cc1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181461857 533692058 /nfs/dbraw/zinc/69/20/58/533692058.db2.gz ZJNHDINKDZABLT-UHFFFAOYSA-N 2 2 337.471 2.777 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860861 289341549 /nfs/dbraw/zinc/34/15/49/289341549.db2.gz SVOZMWKCXOHAIP-SJORKVTESA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860861 289341551 /nfs/dbraw/zinc/34/15/51/289341551.db2.gz SVOZMWKCXOHAIP-SJORKVTESA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860861 289341553 /nfs/dbraw/zinc/34/15/53/289341553.db2.gz SVOZMWKCXOHAIP-SJORKVTESA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860861 289341554 /nfs/dbraw/zinc/34/15/54/289341554.db2.gz SVOZMWKCXOHAIP-SJORKVTESA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cn1cccn1 ZINC000564666423 318880410 /nfs/dbraw/zinc/88/04/10/318880410.db2.gz SCKDODGGMZXFQR-KRWDZBQOSA-N 2 2 337.471 2.645 20 30 EFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570433 473221661 /nfs/dbraw/zinc/22/16/61/473221661.db2.gz KPUDSBNURVZXKJ-DOTOQJQBSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570433 473221668 /nfs/dbraw/zinc/22/16/68/473221668.db2.gz KPUDSBNURVZXKJ-DOTOQJQBSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570433 473221672 /nfs/dbraw/zinc/22/16/72/473221672.db2.gz KPUDSBNURVZXKJ-DOTOQJQBSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000081570433 473221675 /nfs/dbraw/zinc/22/16/75/473221675.db2.gz KPUDSBNURVZXKJ-DOTOQJQBSA-N 2 2 328.460 2.549 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccs1 ZINC000083029877 473315332 /nfs/dbraw/zinc/31/53/32/473315332.db2.gz BPTLTBXHZOZTIH-GJZGRUSLSA-N 2 2 344.484 2.779 20 30 EFEDLP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C#N)c1C ZINC000177201581 473329489 /nfs/dbraw/zinc/32/94/89/473329489.db2.gz OYGUEGXQTJZRED-UHFFFAOYSA-N 2 2 348.516 2.839 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH+]ccn2c1)C(C)C ZINC000069154676 472299879 /nfs/dbraw/zinc/29/98/79/472299879.db2.gz UNXZAGJZAWOQII-QGZVFWFLSA-N 2 2 326.444 2.763 20 30 EFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000131105313 472649487 /nfs/dbraw/zinc/64/94/87/472649487.db2.gz KMFNSQDNSWXBTA-LJQANCHMSA-N 2 2 330.472 2.796 20 30 EFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000131105313 472649490 /nfs/dbraw/zinc/64/94/90/472649490.db2.gz KMFNSQDNSWXBTA-LJQANCHMSA-N 2 2 330.472 2.796 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000131683892 472685486 /nfs/dbraw/zinc/68/54/86/472685486.db2.gz RDKRRLVJJNTANE-QGZVFWFLSA-N 2 2 347.378 2.657 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000131683892 472685493 /nfs/dbraw/zinc/68/54/93/472685493.db2.gz RDKRRLVJJNTANE-QGZVFWFLSA-N 2 2 347.378 2.657 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157536141 472832000 /nfs/dbraw/zinc/83/20/00/472832000.db2.gz HFSMBXVZLSSDPL-OALUTQOASA-N 2 2 343.490 2.668 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157535993 472832311 /nfs/dbraw/zinc/83/23/11/472832311.db2.gz HFSMBXVZLSSDPL-KDURUIRLSA-N 2 2 343.490 2.668 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157535993 472832319 /nfs/dbraw/zinc/83/23/19/472832319.db2.gz HFSMBXVZLSSDPL-KDURUIRLSA-N 2 2 343.490 2.668 20 30 EFEDLP N#Cc1cccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000177597385 473403754 /nfs/dbraw/zinc/40/37/54/473403754.db2.gz NOPXHUQHVKOGRY-UHFFFAOYSA-N 2 2 327.472 2.931 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152415010 473558895 /nfs/dbraw/zinc/55/88/95/473558895.db2.gz UYYWZCNINDEBSK-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152415010 473558900 /nfs/dbraw/zinc/55/89/00/473558900.db2.gz UYYWZCNINDEBSK-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152415010 473558903 /nfs/dbraw/zinc/55/89/03/473558903.db2.gz UYYWZCNINDEBSK-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152415010 473558908 /nfs/dbraw/zinc/55/89/08/473558908.db2.gz UYYWZCNINDEBSK-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000281497300 473740784 /nfs/dbraw/zinc/74/07/84/473740784.db2.gz FICYZNGBLJXDQU-CZUORRHYSA-N 2 2 336.399 2.604 20 30 EFEDLP CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274145578 473744549 /nfs/dbraw/zinc/74/45/49/473744549.db2.gz XPWSKGUYWISTRS-LJQANCHMSA-N 2 2 344.503 2.667 20 30 EFEDLP CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274145578 473744557 /nfs/dbraw/zinc/74/45/57/473744557.db2.gz XPWSKGUYWISTRS-LJQANCHMSA-N 2 2 344.503 2.667 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000180286127 473845003 /nfs/dbraw/zinc/84/50/03/473845003.db2.gz HAADMFQAQLVYPZ-KBXCAEBGSA-N 2 2 335.455 2.674 20 30 EFEDLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000180286127 473845007 /nfs/dbraw/zinc/84/50/07/473845007.db2.gz HAADMFQAQLVYPZ-KBXCAEBGSA-N 2 2 335.455 2.674 20 30 EFEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc(C#N)cc3Cl)CC2)CC1 ZINC000263782831 473847739 /nfs/dbraw/zinc/84/77/39/473847739.db2.gz MEPUBAHJPHTPGJ-UHFFFAOYSA-N 2 2 333.867 2.577 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000269652070 473851138 /nfs/dbraw/zinc/85/11/38/473851138.db2.gz MPRWVDJJYUDNKK-UHFFFAOYSA-N 2 2 343.490 2.668 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000269652070 473851145 /nfs/dbraw/zinc/85/11/45/473851145.db2.gz MPRWVDJJYUDNKK-UHFFFAOYSA-N 2 2 343.490 2.668 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180488913 473888643 /nfs/dbraw/zinc/88/86/43/473888643.db2.gz HFTAXDQCXYDWIY-DOTOQJQBSA-N 2 2 337.508 2.872 20 30 EFEDLP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000264109161 473951214 /nfs/dbraw/zinc/95/12/14/473951214.db2.gz OJFBXHRTOFAVEH-GOSISDBHSA-N 2 2 348.491 2.559 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000264146159 473953360 /nfs/dbraw/zinc/95/33/60/473953360.db2.gz YAQFDTBGFQSFSZ-SFHVURJKSA-N 2 2 342.443 2.733 20 30 EFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000174218359 474008438 /nfs/dbraw/zinc/00/84/38/474008438.db2.gz SAGIXCFIPWYNEN-KRWDZBQOSA-N 2 2 331.460 2.609 20 30 EFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000174218359 474008444 /nfs/dbraw/zinc/00/84/44/474008444.db2.gz SAGIXCFIPWYNEN-KRWDZBQOSA-N 2 2 331.460 2.609 20 30 EFEDLP CN(C)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000182074499 474094288 /nfs/dbraw/zinc/09/42/88/474094288.db2.gz YDWARTRUFWHLJB-UHFFFAOYSA-N 2 2 349.482 2.773 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247625235 474190509 /nfs/dbraw/zinc/19/05/09/474190509.db2.gz NMGUDVLXVGKVRY-RKVPGOIHSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247625235 474190513 /nfs/dbraw/zinc/19/05/13/474190513.db2.gz NMGUDVLXVGKVRY-RKVPGOIHSA-N 2 2 337.427 2.665 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289314437 474222346 /nfs/dbraw/zinc/22/23/46/474222346.db2.gz BOQKAORHXIFQJV-KRWDZBQOSA-N 2 2 343.471 2.822 20 30 EFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000289377460 474244689 /nfs/dbraw/zinc/24/46/89/474244689.db2.gz KUQNIGAHJTWWED-LJQANCHMSA-N 2 2 337.423 2.839 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000271183663 474428334 /nfs/dbraw/zinc/42/83/34/474428334.db2.gz DFFITVKARGWACY-UHFFFAOYSA-N 2 2 332.517 2.610 20 30 EFEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183890699 474442155 /nfs/dbraw/zinc/44/21/55/474442155.db2.gz PVEPFFDIQHVSLT-AWEZNQCLSA-N 2 2 330.398 2.965 20 30 EFEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891464 474443303 /nfs/dbraw/zinc/44/33/03/474443303.db2.gz SUFPXANCLGBHLB-CQSZACIVSA-N 2 2 328.382 2.789 20 30 EFEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266980078 474554750 /nfs/dbraw/zinc/55/47/50/474554750.db2.gz MGSDTLXESYDTLG-GOSISDBHSA-N 2 2 340.427 2.536 20 30 EFEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266980078 474554754 /nfs/dbraw/zinc/55/47/54/474554754.db2.gz MGSDTLXESYDTLG-GOSISDBHSA-N 2 2 340.427 2.536 20 30 EFEDLP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271900620 474597760 /nfs/dbraw/zinc/59/77/60/474597760.db2.gz VPBWXDXBDCMXGG-MRXNPFEDSA-N 2 2 329.488 2.909 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168984 474607562 /nfs/dbraw/zinc/60/75/62/474607562.db2.gz HPTKNGAEFHKHMU-APWZRJJASA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000267168984 474607565 /nfs/dbraw/zinc/60/75/65/474607565.db2.gz HPTKNGAEFHKHMU-APWZRJJASA-N 2 2 341.480 2.592 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267237024 474625180 /nfs/dbraw/zinc/62/51/80/474625180.db2.gz LYSLPDDDCMPUHE-RXVVDRJESA-N 2 2 343.515 2.688 20 30 EFEDLP Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000272984288 474658368 /nfs/dbraw/zinc/65/83/68/474658368.db2.gz QXYAUKZZKNTYKR-UHFFFAOYSA-N 2 2 334.427 2.677 20 30 EFEDLP Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000272984288 474658373 /nfs/dbraw/zinc/65/83/73/474658373.db2.gz QXYAUKZZKNTYKR-UHFFFAOYSA-N 2 2 334.427 2.677 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258189 480132003 /nfs/dbraw/zinc/13/20/03/480132003.db2.gz OCPBMCMVTOSFKN-HIFRSBDPSA-N 2 2 341.415 2.629 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258189 480132009 /nfs/dbraw/zinc/13/20/09/480132009.db2.gz OCPBMCMVTOSFKN-HIFRSBDPSA-N 2 2 341.415 2.629 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)CC1 ZINC000280395306 475023275 /nfs/dbraw/zinc/02/32/75/475023275.db2.gz ABFRLSRZUHBQLR-KRWDZBQOSA-N 2 2 345.491 2.790 20 30 EFEDLP C[NH+]1CCC([NH+]2CCC(Nc3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000286089672 475051789 /nfs/dbraw/zinc/05/17/89/475051789.db2.gz DWIZTFWBHLOXBL-UHFFFAOYSA-N 2 2 339.896 2.639 20 30 EFEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccco1 ZINC000286112063 475053260 /nfs/dbraw/zinc/05/32/60/475053260.db2.gz NSTNBLSADXAWFB-IAGOWNOFSA-N 2 2 333.476 2.819 20 30 EFEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccco1 ZINC000286112063 475053266 /nfs/dbraw/zinc/05/32/66/475053266.db2.gz NSTNBLSADXAWFB-IAGOWNOFSA-N 2 2 333.476 2.819 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280967238 475060016 /nfs/dbraw/zinc/06/00/16/475060016.db2.gz SSLXTUCBLBSDIV-UHFFFAOYSA-N 2 2 331.851 2.661 20 30 EFEDLP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329684700 475110707 /nfs/dbraw/zinc/11/07/07/475110707.db2.gz YFPGXCJPYYIWLJ-UHFFFAOYSA-N 2 2 345.491 2.659 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281217515 475119446 /nfs/dbraw/zinc/11/94/46/475119446.db2.gz DPECVESAIQFEIE-GOSISDBHSA-N 2 2 342.487 2.739 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281217515 475119450 /nfs/dbraw/zinc/11/94/50/475119450.db2.gz DPECVESAIQFEIE-GOSISDBHSA-N 2 2 342.487 2.739 20 30 EFEDLP COc1cc(C[NH+](C)C[C@@H](C)C#N)cc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000292638178 475129502 /nfs/dbraw/zinc/12/95/02/475129502.db2.gz OECWKSLKOYBGFF-IYBDPMFKSA-N 2 2 328.460 2.878 20 30 EFEDLP COc1cc(C[NH+](C)C[C@@H](C)C#N)cc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000292638178 475129512 /nfs/dbraw/zinc/12/95/12/475129512.db2.gz OECWKSLKOYBGFF-IYBDPMFKSA-N 2 2 328.460 2.878 20 30 EFEDLP COc1cc(C[NH+](C)C[C@H](C)C#N)cc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000292638178 475129517 /nfs/dbraw/zinc/12/95/17/475129517.db2.gz OECWKSLKOYBGFF-IYBDPMFKSA-N 2 2 328.460 2.878 20 30 EFEDLP COc1cc(C[NH+](C)C[C@H](C)C#N)cc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000292638178 475129524 /nfs/dbraw/zinc/12/95/24/475129524.db2.gz OECWKSLKOYBGFF-IYBDPMFKSA-N 2 2 328.460 2.878 20 30 EFEDLP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000329948804 475170977 /nfs/dbraw/zinc/17/09/77/475170977.db2.gz KZOMCMJCLMPORO-HZPDHXFCSA-N 2 2 333.480 2.554 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330244211 475217773 /nfs/dbraw/zinc/21/77/73/475217773.db2.gz CZMMQHKJEYEWJF-IKGGRYGDSA-N 2 2 345.491 2.971 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330244211 475217778 /nfs/dbraw/zinc/21/77/78/475217778.db2.gz CZMMQHKJEYEWJF-IKGGRYGDSA-N 2 2 345.491 2.971 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330281314 475222823 /nfs/dbraw/zinc/22/28/23/475222823.db2.gz UKYZQLHYGGJFOC-HOCLYGCPSA-N 2 2 331.464 2.581 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000330281314 475222826 /nfs/dbraw/zinc/22/28/26/475222826.db2.gz UKYZQLHYGGJFOC-HOCLYGCPSA-N 2 2 331.464 2.581 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330283805 475223997 /nfs/dbraw/zinc/22/39/97/475223997.db2.gz WPRVEZWDPKQOMM-XHSDSOJGSA-N 2 2 333.480 2.827 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330283805 475224006 /nfs/dbraw/zinc/22/40/06/475224006.db2.gz WPRVEZWDPKQOMM-XHSDSOJGSA-N 2 2 333.480 2.827 20 30 EFEDLP CC[NH+](CC)C[C@H](C)NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000330723591 475271646 /nfs/dbraw/zinc/27/16/46/475271646.db2.gz YRFUGMXBABCMFA-AWEZNQCLSA-N 2 2 335.496 2.546 20 30 EFEDLP Cc1cc(C)c(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)[nH+]1 ZINC000331331521 475341310 /nfs/dbraw/zinc/34/13/10/475341310.db2.gz OQPYWKDYCDCTLA-HNNXBMFYSA-N 2 2 348.491 2.577 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115324 475401804 /nfs/dbraw/zinc/40/18/04/475401804.db2.gz XZSOKQXCFOVATD-HKUYNNGSSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115324 475401809 /nfs/dbraw/zinc/40/18/09/475401809.db2.gz XZSOKQXCFOVATD-HKUYNNGSSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115324 475401816 /nfs/dbraw/zinc/40/18/16/475401816.db2.gz XZSOKQXCFOVATD-HKUYNNGSSA-N 2 2 334.508 2.718 20 30 EFEDLP C=CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000348115324 475401820 /nfs/dbraw/zinc/40/18/20/475401820.db2.gz XZSOKQXCFOVATD-HKUYNNGSSA-N 2 2 334.508 2.718 20 30 EFEDLP C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000348271156 475547100 /nfs/dbraw/zinc/54/71/00/475547100.db2.gz LPEURKDOONCODV-WMLDXEAASA-N 2 2 348.410 2.888 20 30 EFEDLP C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000348271156 475547107 /nfs/dbraw/zinc/54/71/07/475547107.db2.gz LPEURKDOONCODV-WMLDXEAASA-N 2 2 348.410 2.888 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342080588 475553289 /nfs/dbraw/zinc/55/32/89/475553289.db2.gz GGVMIODHSKGZJJ-XHSDSOJGSA-N 2 2 345.512 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342080588 475553293 /nfs/dbraw/zinc/55/32/93/475553293.db2.gz GGVMIODHSKGZJJ-XHSDSOJGSA-N 2 2 345.512 2.962 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348281649 475558657 /nfs/dbraw/zinc/55/86/57/475558657.db2.gz LCCALOZKSUPPIU-YJBOKZPZSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348281649 475558663 /nfs/dbraw/zinc/55/86/63/475558663.db2.gz LCCALOZKSUPPIU-YJBOKZPZSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348281649 475558672 /nfs/dbraw/zinc/55/86/72/475558672.db2.gz LCCALOZKSUPPIU-YJBOKZPZSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348281649 475558677 /nfs/dbraw/zinc/55/86/77/475558677.db2.gz LCCALOZKSUPPIU-YJBOKZPZSA-N 2 2 340.471 2.549 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677482 475654760 /nfs/dbraw/zinc/65/47/60/475654760.db2.gz HGONOPZFVWLJCL-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677482 475654768 /nfs/dbraw/zinc/65/47/68/475654768.db2.gz HGONOPZFVWLJCL-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677482 475654771 /nfs/dbraw/zinc/65/47/71/475654771.db2.gz HGONOPZFVWLJCL-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677482 475654775 /nfs/dbraw/zinc/65/47/75/475654775.db2.gz HGONOPZFVWLJCL-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903621 475664562 /nfs/dbraw/zinc/66/45/62/475664562.db2.gz POGLLMCTVUQHME-OGWOLHLISA-N 2 2 342.462 2.738 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903621 475664566 /nfs/dbraw/zinc/66/45/66/475664566.db2.gz POGLLMCTVUQHME-OGWOLHLISA-N 2 2 342.462 2.738 20 30 EFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000353260819 475812396 /nfs/dbraw/zinc/81/23/96/475812396.db2.gz TZJDJQIQVUNGCZ-FGZHOGPDSA-N 2 2 347.462 2.772 20 30 EFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000353260819 475812408 /nfs/dbraw/zinc/81/24/08/475812408.db2.gz TZJDJQIQVUNGCZ-FGZHOGPDSA-N 2 2 347.462 2.772 20 30 EFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000353327969 475874684 /nfs/dbraw/zinc/87/46/84/475874684.db2.gz FTRKQYYOGBRSFW-UHFFFAOYSA-N 2 2 348.494 2.808 20 30 EFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000353327969 475874687 /nfs/dbraw/zinc/87/46/87/475874687.db2.gz FTRKQYYOGBRSFW-UHFFFAOYSA-N 2 2 348.494 2.808 20 30 EFEDLP N#CCCn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000344191375 476168064 /nfs/dbraw/zinc/16/80/64/476168064.db2.gz UZEULAFYFGSKCY-SFHVURJKSA-N 2 2 335.455 2.790 20 30 EFEDLP N#CCCn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000344191375 476168067 /nfs/dbraw/zinc/16/80/67/476168067.db2.gz UZEULAFYFGSKCY-SFHVURJKSA-N 2 2 335.455 2.790 20 30 EFEDLP C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000360648194 476328903 /nfs/dbraw/zinc/32/89/03/476328903.db2.gz PUTODXGCLBNLDC-OXQOHEQNSA-N 2 2 327.472 2.884 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924451 476380340 /nfs/dbraw/zinc/38/03/40/476380340.db2.gz LRYPWFRKOJKUBN-FUHWJXTLSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924451 476380346 /nfs/dbraw/zinc/38/03/46/476380346.db2.gz LRYPWFRKOJKUBN-FUHWJXTLSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369605503 476434995 /nfs/dbraw/zinc/43/49/95/476434995.db2.gz LDVBVSZSVMODNW-QGZVFWFLSA-N 2 2 336.524 2.543 20 30 EFEDLP C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369605503 476435003 /nfs/dbraw/zinc/43/50/03/476435003.db2.gz LDVBVSZSVMODNW-QGZVFWFLSA-N 2 2 336.524 2.543 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351500884 476473476 /nfs/dbraw/zinc/47/34/76/476473476.db2.gz XTCOSVRFKRQDOO-KKUMJFAQSA-N 2 2 331.485 2.572 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351500884 476473480 /nfs/dbraw/zinc/47/34/80/476473480.db2.gz XTCOSVRFKRQDOO-KKUMJFAQSA-N 2 2 331.485 2.572 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500890 476475331 /nfs/dbraw/zinc/47/53/31/476475331.db2.gz XTCOSVRFKRQDOO-ZNMIVQPWSA-N 2 2 331.485 2.572 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500890 476475339 /nfs/dbraw/zinc/47/53/39/476475339.db2.gz XTCOSVRFKRQDOO-ZNMIVQPWSA-N 2 2 331.485 2.572 20 30 EFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225408 476518992 /nfs/dbraw/zinc/51/89/92/476518992.db2.gz SCVDITJNIVWWPD-HKUYNNGSSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225408 476519000 /nfs/dbraw/zinc/51/90/00/476519000.db2.gz SCVDITJNIVWWPD-HKUYNNGSSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225408 476519007 /nfs/dbraw/zinc/51/90/07/476519007.db2.gz SCVDITJNIVWWPD-HKUYNNGSSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225408 476519014 /nfs/dbraw/zinc/51/90/14/476519014.db2.gz SCVDITJNIVWWPD-HKUYNNGSSA-N 2 2 342.487 2.738 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000377827218 476600768 /nfs/dbraw/zinc/60/07/68/476600768.db2.gz UPDMUVYIJNFWGY-KRWDZBQOSA-N 2 2 346.438 2.682 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000377827218 476600771 /nfs/dbraw/zinc/60/07/71/476600771.db2.gz UPDMUVYIJNFWGY-KRWDZBQOSA-N 2 2 346.438 2.682 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107569 476828192 /nfs/dbraw/zinc/82/81/92/476828192.db2.gz BRASQIXVMLSWPN-UHFFFAOYSA-N 2 2 347.425 2.536 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107569 476828199 /nfs/dbraw/zinc/82/81/99/476828199.db2.gz BRASQIXVMLSWPN-UHFFFAOYSA-N 2 2 347.425 2.536 20 30 EFEDLP C=CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376344470 477292462 /nfs/dbraw/zinc/29/24/62/477292462.db2.gz RFDKCLQEHIVRFH-QGZVFWFLSA-N 2 2 336.524 2.591 20 30 EFEDLP C=CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376344470 477292468 /nfs/dbraw/zinc/29/24/68/477292468.db2.gz RFDKCLQEHIVRFH-QGZVFWFLSA-N 2 2 336.524 2.591 20 30 EFEDLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424130691 477301081 /nfs/dbraw/zinc/30/10/81/477301081.db2.gz HPINAFZEPJLWIC-WMLDXEAASA-N 2 2 348.878 2.566 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000424167150 477314261 /nfs/dbraw/zinc/31/42/61/477314261.db2.gz BYBFJKZQGCARLY-WMZOPIPTSA-N 2 2 325.460 2.607 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000424167150 477314270 /nfs/dbraw/zinc/31/42/70/477314270.db2.gz BYBFJKZQGCARLY-WMZOPIPTSA-N 2 2 325.460 2.607 20 30 EFEDLP C=CCn1cc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)nn1 ZINC000424173033 477316896 /nfs/dbraw/zinc/31/68/96/477316896.db2.gz OTUJGEXAEKSXKK-UHFFFAOYSA-N 2 2 327.476 2.712 20 30 EFEDLP C=CCn1cc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000424173033 477316898 /nfs/dbraw/zinc/31/68/98/477316898.db2.gz OTUJGEXAEKSXKK-UHFFFAOYSA-N 2 2 327.476 2.712 20 30 EFEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000424178743 477318925 /nfs/dbraw/zinc/31/89/25/477318925.db2.gz XGEWGYMLKBTNKT-INIZCTEOSA-N 2 2 335.411 2.561 20 30 EFEDLP CCn1ccnc1C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691130 477351763 /nfs/dbraw/zinc/35/17/63/477351763.db2.gz DYQGBNUKBHEQQK-IBGZPJMESA-N 2 2 349.482 2.919 20 30 EFEDLP CCn1ccnc1C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691130 477351767 /nfs/dbraw/zinc/35/17/67/477351767.db2.gz DYQGBNUKBHEQQK-IBGZPJMESA-N 2 2 349.482 2.919 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449125071 477449340 /nfs/dbraw/zinc/44/93/40/477449340.db2.gz RRELDBVBNAHEJJ-UHFFFAOYSA-N 2 2 326.444 2.621 20 30 EFEDLP C=CCC1(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCCC1 ZINC000458604690 477504963 /nfs/dbraw/zinc/50/49/63/477504963.db2.gz WCCUMGBIQQWSRW-UHFFFAOYSA-N 2 2 336.524 2.591 20 30 EFEDLP C=CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCC1 ZINC000450361899 477591004 /nfs/dbraw/zinc/59/10/04/477591004.db2.gz GWIAMUPSRPEHDT-KRWDZBQOSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCC1 ZINC000450361899 477591013 /nfs/dbraw/zinc/59/10/13/477591013.db2.gz GWIAMUPSRPEHDT-KRWDZBQOSA-N 2 2 333.520 2.750 20 30 EFEDLP CC[N@H+]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 ZINC000437096412 477670786 /nfs/dbraw/zinc/67/07/86/477670786.db2.gz LWQAALAPOACSSX-KUQKPQIMSA-N 2 2 328.460 2.573 20 30 EFEDLP CC[N@@H+]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 ZINC000437096412 477670796 /nfs/dbraw/zinc/67/07/96/477670796.db2.gz LWQAALAPOACSSX-KUQKPQIMSA-N 2 2 328.460 2.573 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccccc3C#N)CC2)CC1 ZINC000420977613 477870670 /nfs/dbraw/zinc/87/06/70/477870670.db2.gz IKGAETAQZICYTN-UHFFFAOYSA-N 2 2 326.488 2.550 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccccc3C#N)CC2)CC1 ZINC000420977613 477870673 /nfs/dbraw/zinc/87/06/73/477870673.db2.gz IKGAETAQZICYTN-UHFFFAOYSA-N 2 2 326.488 2.550 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3C#N)CC2)CC1 ZINC000420977613 477870679 /nfs/dbraw/zinc/87/06/79/477870679.db2.gz IKGAETAQZICYTN-UHFFFAOYSA-N 2 2 326.488 2.550 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC1 ZINC000420977613 477870686 /nfs/dbraw/zinc/87/06/86/477870686.db2.gz IKGAETAQZICYTN-UHFFFAOYSA-N 2 2 326.488 2.550 20 30 EFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Cl ZINC000439428333 477975642 /nfs/dbraw/zinc/97/56/42/477975642.db2.gz CHSITJBGQMDDAD-UHFFFAOYSA-N 2 2 334.895 2.669 20 30 EFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Cl ZINC000439428333 477975654 /nfs/dbraw/zinc/97/56/54/477975654.db2.gz CHSITJBGQMDDAD-UHFFFAOYSA-N 2 2 334.895 2.669 20 30 EFEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1Cl)C1CC[NH+](C)CC1 ZINC000439428333 477975665 /nfs/dbraw/zinc/97/56/65/477975665.db2.gz CHSITJBGQMDDAD-UHFFFAOYSA-N 2 2 334.895 2.669 20 30 EFEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1Cl)C1CC[NH+](C)CC1 ZINC000439428333 477975676 /nfs/dbraw/zinc/97/56/76/477975676.db2.gz CHSITJBGQMDDAD-UHFFFAOYSA-N 2 2 334.895 2.669 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000439448952 477978778 /nfs/dbraw/zinc/97/87/78/477978778.db2.gz HJYZNUOFZNQZTD-HNAYVOBHSA-N 2 2 346.906 2.669 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000439448952 477978785 /nfs/dbraw/zinc/97/87/85/477978785.db2.gz HJYZNUOFZNQZTD-HNAYVOBHSA-N 2 2 346.906 2.669 20 30 EFEDLP CC#CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000559461661 477983690 /nfs/dbraw/zinc/98/36/90/477983690.db2.gz UQANZCHTBXVIDI-GOSISDBHSA-N 2 2 347.890 2.548 20 30 EFEDLP CC#CC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000559461661 477983694 /nfs/dbraw/zinc/98/36/94/477983694.db2.gz UQANZCHTBXVIDI-GOSISDBHSA-N 2 2 347.890 2.548 20 30 EFEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000533865433 478117308 /nfs/dbraw/zinc/11/73/08/478117308.db2.gz NGQGOAWRCDWNJP-MRXNPFEDSA-N 2 2 326.444 2.697 20 30 EFEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000533865433 478117311 /nfs/dbraw/zinc/11/73/11/478117311.db2.gz NGQGOAWRCDWNJP-MRXNPFEDSA-N 2 2 326.444 2.697 20 30 EFEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000562477824 478255032 /nfs/dbraw/zinc/25/50/32/478255032.db2.gz QAIBOYBTUAOVGS-KRWDZBQOSA-N 2 2 343.471 2.512 20 30 EFEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000562477824 478255034 /nfs/dbraw/zinc/25/50/34/478255034.db2.gz QAIBOYBTUAOVGS-KRWDZBQOSA-N 2 2 343.471 2.512 20 30 EFEDLP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+](C)CCC#N ZINC000581603697 478398471 /nfs/dbraw/zinc/39/84/71/478398471.db2.gz NOBRJPGJOUYOID-MJGOQNOKSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+](C)CCC#N ZINC000581603697 478398478 /nfs/dbraw/zinc/39/84/78/478398478.db2.gz NOBRJPGJOUYOID-MJGOQNOKSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000581603697 478398484 /nfs/dbraw/zinc/39/84/84/478398484.db2.gz NOBRJPGJOUYOID-MJGOQNOKSA-N 2 2 344.503 2.992 20 30 EFEDLP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000581603697 478398490 /nfs/dbraw/zinc/39/84/90/478398490.db2.gz NOBRJPGJOUYOID-MJGOQNOKSA-N 2 2 344.503 2.992 20 30 EFEDLP CC(C)(C)OC(=O)N1CC(F)(F)CC1=C[NH2+]Nc1cc[nH+]cc1 ZINC000495906583 478399973 /nfs/dbraw/zinc/39/99/73/478399973.db2.gz STGQJTBUVIXNQO-LBPRGKRZSA-N 2 2 326.347 2.546 20 30 EFEDLP C#CC[NH+]1CCC(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000491375399 478528170 /nfs/dbraw/zinc/52/81/70/478528170.db2.gz VVLXGLHBCYYOOU-UHFFFAOYSA-N 2 2 347.422 2.794 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591765714 478624264 /nfs/dbraw/zinc/62/42/64/478624264.db2.gz BVJSGWBEZQRVIZ-GOSISDBHSA-N 2 2 343.858 2.794 20 30 EFEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591765714 478624269 /nfs/dbraw/zinc/62/42/69/478624269.db2.gz BVJSGWBEZQRVIZ-GOSISDBHSA-N 2 2 343.858 2.794 20 30 EFEDLP C#CC[NH+]1CCC(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000491673836 478627011 /nfs/dbraw/zinc/62/70/11/478627011.db2.gz VYFGTCXWFXLZNL-UHFFFAOYSA-N 2 2 337.423 2.569 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCn4nccc43)CC2)c1 ZINC000595046142 478640563 /nfs/dbraw/zinc/64/05/63/478640563.db2.gz JCISANLTSRKDHI-IBGZPJMESA-N 2 2 335.455 2.844 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](CC#N)C3)c2cc1C ZINC000595617271 478889877 /nfs/dbraw/zinc/88/98/77/478889877.db2.gz XMFAUODQYTXTAX-SJORKVTESA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](CC#N)C3)c2cc1C ZINC000595617271 478889880 /nfs/dbraw/zinc/88/98/80/478889880.db2.gz XMFAUODQYTXTAX-SJORKVTESA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H](C#N)CCC#N)CC2)c1 ZINC000567678206 479111387 /nfs/dbraw/zinc/11/13/87/479111387.db2.gz NARVMHRLYBHWMO-LJQANCHMSA-N 2 2 339.487 2.540 20 30 EFEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303390 479144182 /nfs/dbraw/zinc/14/41/82/479144182.db2.gz BQKUBVQZBOOVNR-FUHWJXTLSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303390 479144186 /nfs/dbraw/zinc/14/41/86/479144186.db2.gz BQKUBVQZBOOVNR-FUHWJXTLSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303390 479144192 /nfs/dbraw/zinc/14/41/92/479144192.db2.gz BQKUBVQZBOOVNR-FUHWJXTLSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303390 479144198 /nfs/dbraw/zinc/14/41/98/479144198.db2.gz BQKUBVQZBOOVNR-FUHWJXTLSA-N 2 2 347.528 2.597 20 30 EFEDLP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000569569474 479144802 /nfs/dbraw/zinc/14/48/02/479144802.db2.gz WVMPACQTKWFVNO-LJQANCHMSA-N 2 2 344.503 2.994 20 30 EFEDLP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000569569474 479144808 /nfs/dbraw/zinc/14/48/08/479144808.db2.gz WVMPACQTKWFVNO-LJQANCHMSA-N 2 2 344.503 2.994 20 30 EFEDLP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316972 479291004 /nfs/dbraw/zinc/29/10/04/479291004.db2.gz DFASPPDICLCMOV-WMZOPIPTSA-N 3 2 326.488 2.500 20 30 EFEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390167 479365707 /nfs/dbraw/zinc/36/57/07/479365707.db2.gz HCURYKYDLXGGAB-ICSRJNTNSA-N 2 2 327.472 2.882 20 30 EFEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390167 479365710 /nfs/dbraw/zinc/36/57/10/479365710.db2.gz HCURYKYDLXGGAB-ICSRJNTNSA-N 2 2 327.472 2.882 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCCOC1 ZINC000593695029 479427052 /nfs/dbraw/zinc/42/70/52/479427052.db2.gz FVHXFLDPYHMJKT-APWZRJJASA-N 2 2 327.472 2.927 20 30 EFEDLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593701999 479428514 /nfs/dbraw/zinc/42/85/14/479428514.db2.gz JRKFSYKVZBFNSZ-LAUBAEHRSA-N 3 2 340.515 2.843 20 30 EFEDLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593701999 479428520 /nfs/dbraw/zinc/42/85/20/479428520.db2.gz JRKFSYKVZBFNSZ-LAUBAEHRSA-N 3 2 340.515 2.843 20 30 EFEDLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593702002 479429093 /nfs/dbraw/zinc/42/90/93/479429093.db2.gz JRKFSYKVZBFNSZ-UWJYYQICSA-N 3 2 340.515 2.843 20 30 EFEDLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593702002 479429095 /nfs/dbraw/zinc/42/90/95/479429095.db2.gz JRKFSYKVZBFNSZ-UWJYYQICSA-N 3 2 340.515 2.843 20 30 EFEDLP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593721437 479433718 /nfs/dbraw/zinc/43/37/18/479433718.db2.gz LZYJHNHLMGDTRS-HXUWFJFHSA-N 2 2 349.482 2.997 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1 ZINC000593721228 479434087 /nfs/dbraw/zinc/43/40/87/479434087.db2.gz KWFLEGVSJJVKRT-QGZVFWFLSA-N 3 2 340.515 2.843 20 30 EFEDLP Cn1cc[nH+]c1[C@@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000602658127 479452721 /nfs/dbraw/zinc/45/27/21/479452721.db2.gz AXPPEFBPCVMTKI-LJQANCHMSA-N 2 2 337.471 2.807 20 30 EFEDLP N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000596992384 479524284 /nfs/dbraw/zinc/52/42/84/479524284.db2.gz AWXRTRSYHUPTRT-UHFFFAOYSA-N 2 2 349.438 2.552 20 30 EFEDLP N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000614911143 479546089 /nfs/dbraw/zinc/54/60/89/479546089.db2.gz XYYBJVQUWYAHDW-HXUWFJFHSA-N 2 2 344.478 2.884 20 30 EFEDLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000597126024 479584792 /nfs/dbraw/zinc/58/47/92/479584792.db2.gz BJQBONJWUXEDQT-UHFFFAOYSA-N 2 2 325.460 2.899 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@](C)(C#N)C3)c2cc1C ZINC000612164784 479603540 /nfs/dbraw/zinc/60/35/40/479603540.db2.gz JCEVMSVRSDWESY-LPHOPBHVSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@](C)(C#N)C3)c2cc1C ZINC000612164784 479603549 /nfs/dbraw/zinc/60/35/49/479603549.db2.gz JCEVMSVRSDWESY-LPHOPBHVSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@](C)(C#N)C3)c2cc1C ZINC000612164786 479604040 /nfs/dbraw/zinc/60/40/40/479604040.db2.gz JCEVMSVRSDWESY-VQIMIIECSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@](C)(C#N)C3)c2cc1C ZINC000612164786 479604044 /nfs/dbraw/zinc/60/40/44/479604044.db2.gz JCEVMSVRSDWESY-VQIMIIECSA-N 2 2 326.444 2.640 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(-n2cc[nH+]c2)ncn1)C(C)C ZINC000607058880 479772677 /nfs/dbraw/zinc/77/26/77/479772677.db2.gz JJMJYRWGFJXANF-MRXNPFEDSA-N 2 2 326.448 2.773 20 30 EFEDLP C=C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)OC ZINC000619701187 479861199 /nfs/dbraw/zinc/86/11/99/479861199.db2.gz AGPCVOSSUJQPAF-KRWDZBQOSA-N 2 2 336.863 2.869 20 30 EFEDLP C=CCC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648316110 481453518 /nfs/dbraw/zinc/45/35/18/481453518.db2.gz DETWSMYLICCDKI-KRWDZBQOSA-N 2 2 333.520 2.798 20 30 EFEDLP C=CCC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000648316110 481453527 /nfs/dbraw/zinc/45/35/27/481453527.db2.gz DETWSMYLICCDKI-KRWDZBQOSA-N 2 2 333.520 2.798 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668153993 482003329 /nfs/dbraw/zinc/00/33/29/482003329.db2.gz BKWSXJSFQHAWIQ-UHFFFAOYSA-N 2 2 327.432 2.805 20 30 EFEDLP C=CCCn1cc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000668161012 482008063 /nfs/dbraw/zinc/00/80/63/482008063.db2.gz OHBGVNCEXGNZCW-UHFFFAOYSA-N 2 2 327.476 2.938 20 30 EFEDLP C=CCCn1cc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000668161012 482008070 /nfs/dbraw/zinc/00/80/70/482008070.db2.gz OHBGVNCEXGNZCW-UHFFFAOYSA-N 2 2 327.476 2.938 20 30 EFEDLP C=CCCC(C)(C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000663877276 482415480 /nfs/dbraw/zinc/41/54/80/482415480.db2.gz TVOUIVWUWTZZTB-UHFFFAOYSA-N 2 2 336.524 2.589 20 30 EFEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000170906462 534074796 /nfs/dbraw/zinc/07/47/96/534074796.db2.gz MCAMOELLLLAEBS-KRWDZBQOSA-N 2 2 344.434 2.542 20 30 EFEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2CCO[C@H]21 ZINC000245971118 520664255 /nfs/dbraw/zinc/66/42/55/520664255.db2.gz ZSGJYQPFKSKGQF-VAMGGRTRSA-N 2 2 339.483 2.926 20 30 EFEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181446047 524069405 /nfs/dbraw/zinc/06/94/05/524069405.db2.gz SYDIKGFGMXEGLU-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP CC(C)(CCC#N)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000174314388 526998904 /nfs/dbraw/zinc/99/89/04/526998904.db2.gz GAONUOPKWUQLNN-UHFFFAOYSA-N 2 2 345.487 2.817 20 30 EFEDLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912385 527705186 /nfs/dbraw/zinc/70/51/86/527705186.db2.gz XXZKIVLOZCNQQN-OAHLLOKOSA-N 2 2 328.464 2.886 20 30 EFEDLP CC(C)C[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000328677858 535066224 /nfs/dbraw/zinc/06/62/24/535066224.db2.gz AUGHBPQPBWQRCK-UHFFFAOYSA-N 2 2 333.480 2.624 20 30 EFEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329125117 535168350 /nfs/dbraw/zinc/16/83/50/535168350.db2.gz SRYMANNMKPUAGS-OAHLLOKOSA-N 2 2 333.480 2.624 20 30 EFEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329125117 535168354 /nfs/dbraw/zinc/16/83/54/535168354.db2.gz SRYMANNMKPUAGS-OAHLLOKOSA-N 2 2 333.480 2.624 20 30 EFEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@](C)(CC)C1 ZINC000261807198 535261674 /nfs/dbraw/zinc/26/16/74/535261674.db2.gz SBAYEHBMJOSWPT-IBGZPJMESA-N 2 2 327.476 2.964 20 30 EFEDLP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071644 535525542 /nfs/dbraw/zinc/52/55/42/535525542.db2.gz KIEIFIUJBARHAT-FQEVSTJZSA-N 3 2 340.515 2.844 20 30 EFEDLP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071644 535525546 /nfs/dbraw/zinc/52/55/46/535525546.db2.gz KIEIFIUJBARHAT-FQEVSTJZSA-N 3 2 340.515 2.844 20 30 EFEDLP CCc1cnc(CNC(=[NH+]C)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000261944396 536033315 /nfs/dbraw/zinc/03/33/15/536033315.db2.gz FJLFTGBHVAMWAN-DZGCQCFKSA-N 2 2 346.504 2.561 20 30 EFEDLP COCC[N@H+](C)CCCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425241981 536777889 /nfs/dbraw/zinc/77/78/89/536777889.db2.gz BHJBKQKGVQHYHK-UHFFFAOYSA-N 2 2 330.476 2.837 20 30 EFEDLP COCC[N@@H+](C)CCCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425241981 536777891 /nfs/dbraw/zinc/77/78/91/536777891.db2.gz BHJBKQKGVQHYHK-UHFFFAOYSA-N 2 2 330.476 2.837 20 30 EFEDLP C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000655552328 546482798 /nfs/dbraw/zinc/48/27/98/546482798.db2.gz VSJRSYOXEWBOFS-QGZVFWFLSA-N 2 2 348.535 2.733 20 30 EFEDLP C=CCC1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000655552328 546482800 /nfs/dbraw/zinc/48/28/00/546482800.db2.gz VSJRSYOXEWBOFS-QGZVFWFLSA-N 2 2 348.535 2.733 20 30 EFEDLP CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000753937798 575362958 /nfs/dbraw/zinc/36/29/58/575362958.db2.gz GZZZZBBTLJNVCO-QZTJIDSGSA-N 2 2 336.443 2.765 20 30 EFEDLP Cc1cc(C)c(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000755749952 575627693 /nfs/dbraw/zinc/62/76/93/575627693.db2.gz MEOXXMZTUJPFEF-UHFFFAOYSA-N 2 2 338.459 2.600 20 30 EFEDLP C=CCn1c(C)nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755780528 575632827 /nfs/dbraw/zinc/63/28/27/575632827.db2.gz ODPIBGJBWXPRRK-INIZCTEOSA-N 2 2 335.521 2.530 20 30 EFEDLP C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755780528 575632828 /nfs/dbraw/zinc/63/28/28/575632828.db2.gz ODPIBGJBWXPRRK-INIZCTEOSA-N 2 2 335.521 2.530 20 30 EFEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C[N@H+](Cc2ccccc2)C1 ZINC000767388988 577207097 /nfs/dbraw/zinc/20/70/97/577207097.db2.gz ZFQNFYMFIGKOTJ-ATZDWAIDSA-N 2 2 339.487 2.744 20 30 EFEDLP C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C[N@@H+](Cc2ccccc2)C1 ZINC000767388988 577207098 /nfs/dbraw/zinc/20/70/98/577207098.db2.gz ZFQNFYMFIGKOTJ-ATZDWAIDSA-N 2 2 339.487 2.744 20 30 EFEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688316 1252194084 /nfs/dbraw/zinc/19/40/84/1252194084.db2.gz SNDUMUOPCLKAEG-QGZVFWFLSA-N 2 2 345.487 2.585 20 30 EFEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688316 1252194099 /nfs/dbraw/zinc/19/40/99/1252194099.db2.gz SNDUMUOPCLKAEG-QGZVFWFLSA-N 2 2 345.487 2.585 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001484100573 1252250939 /nfs/dbraw/zinc/25/09/39/1252250939.db2.gz NOYPFMQVXDRKOD-KRWDZBQOSA-N 2 2 332.835 2.529 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001484768554 1252973791 /nfs/dbraw/zinc/97/37/91/1252973791.db2.gz BDMUYGDKYJSMBG-QGZVFWFLSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001484768554 1252973810 /nfs/dbraw/zinc/97/38/10/1252973810.db2.gz BDMUYGDKYJSMBG-QGZVFWFLSA-N 2 2 337.895 2.822 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561939 1256140790 /nfs/dbraw/zinc/14/07/90/1256140790.db2.gz TVGRVGRKMDYQEU-YQVWRLOYSA-N 2 2 330.476 2.771 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561939 1256140792 /nfs/dbraw/zinc/14/07/92/1256140792.db2.gz TVGRVGRKMDYQEU-YQVWRLOYSA-N 2 2 330.476 2.771 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574151 1256170273 /nfs/dbraw/zinc/17/02/73/1256170273.db2.gz PZEPBIARQDFDTN-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574151 1256170278 /nfs/dbraw/zinc/17/02/78/1256170278.db2.gz PZEPBIARQDFDTN-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574151 1256170284 /nfs/dbraw/zinc/17/02/84/1256170284.db2.gz PZEPBIARQDFDTN-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574151 1256170290 /nfs/dbraw/zinc/17/02/90/1256170290.db2.gz PZEPBIARQDFDTN-ILZDJORESA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574152 1256170907 /nfs/dbraw/zinc/17/09/07/1256170907.db2.gz PZEPBIARQDFDTN-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574152 1256170910 /nfs/dbraw/zinc/17/09/10/1256170910.db2.gz PZEPBIARQDFDTN-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574152 1256170913 /nfs/dbraw/zinc/17/09/13/1256170913.db2.gz PZEPBIARQDFDTN-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574152 1256170919 /nfs/dbraw/zinc/17/09/19/1256170919.db2.gz PZEPBIARQDFDTN-YVWKXTFCSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651990 1256366777 /nfs/dbraw/zinc/36/67/77/1256366777.db2.gz TYHQMQHBQQKVFY-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651990 1256366784 /nfs/dbraw/zinc/36/67/84/1256366784.db2.gz TYHQMQHBQQKVFY-IEBWSBKVSA-N 2 2 330.476 2.600 20 30 EFEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000997086941 1256836230 /nfs/dbraw/zinc/83/62/30/1256836230.db2.gz WKZCDUOUFBIWOZ-OAHLLOKOSA-N 2 2 326.444 2.659 20 30 EFEDLP N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000921527382 1257015465 /nfs/dbraw/zinc/01/54/65/1257015465.db2.gz LYOGUYCMDONJHJ-CYBMUJFWSA-N 2 2 334.261 2.895 20 30 EFEDLP N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000921527382 1257015473 /nfs/dbraw/zinc/01/54/73/1257015473.db2.gz LYOGUYCMDONJHJ-CYBMUJFWSA-N 2 2 334.261 2.895 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997178213 1257208270 /nfs/dbraw/zinc/20/82/70/1257208270.db2.gz REQRDJQYKWXHFR-CQSZACIVSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997183119 1257217180 /nfs/dbraw/zinc/21/71/80/1257217180.db2.gz BYMGAZMBXWRWCI-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC001272880379 1261228626 /nfs/dbraw/zinc/22/86/26/1261228626.db2.gz YMAHHIAJRFXIDB-HXUWFJFHSA-N 2 2 336.439 2.625 20 30 EFEDLP C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC001272880379 1261228631 /nfs/dbraw/zinc/22/86/31/1261228631.db2.gz YMAHHIAJRFXIDB-HXUWFJFHSA-N 2 2 336.439 2.625 20 30 EFEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078768821 1262302961 /nfs/dbraw/zinc/30/29/61/1262302961.db2.gz WUUZYBUQMXOSFF-MSOLQXFVSA-N 2 2 336.439 2.689 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000730097404 1264192605 /nfs/dbraw/zinc/19/26/05/1264192605.db2.gz VRFNRRBGCXWVDK-IBGZPJMESA-N 2 2 325.456 2.709 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000730097404 1264192609 /nfs/dbraw/zinc/19/26/09/1264192609.db2.gz VRFNRRBGCXWVDK-IBGZPJMESA-N 2 2 325.456 2.709 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469410 1267114597 /nfs/dbraw/zinc/11/45/97/1267114597.db2.gz MWORKHHRBYEGGL-SFHVURJKSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001004469410 1267114603 /nfs/dbraw/zinc/11/46/03/1267114603.db2.gz MWORKHHRBYEGGL-SFHVURJKSA-N 2 2 344.503 2.816 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566599 1267301237 /nfs/dbraw/zinc/30/12/37/1267301237.db2.gz FLBZUYGQQNJBIC-HKUYNNGSSA-N 2 2 342.487 2.561 20 30 EFEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001004566599 1267301247 /nfs/dbraw/zinc/30/12/47/1267301247.db2.gz FLBZUYGQQNJBIC-HKUYNNGSSA-N 2 2 342.487 2.561 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004599282 1267374739 /nfs/dbraw/zinc/37/47/39/1267374739.db2.gz ZMYOSVZWDRDXOJ-KRWDZBQOSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004599282 1267374750 /nfs/dbraw/zinc/37/47/50/1267374750.db2.gz ZMYOSVZWDRDXOJ-KRWDZBQOSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609022 1267394495 /nfs/dbraw/zinc/39/44/95/1267394495.db2.gz DDTRJTIDEYTAMG-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609022 1267394505 /nfs/dbraw/zinc/39/45/05/1267394505.db2.gz DDTRJTIDEYTAMG-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596892 1267956346 /nfs/dbraw/zinc/95/63/46/1267956346.db2.gz LIMLXGIFYAEFJF-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596892 1267956354 /nfs/dbraw/zinc/95/63/54/1267956354.db2.gz LIMLXGIFYAEFJF-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508365 1269281286 /nfs/dbraw/zinc/28/12/86/1269281286.db2.gz LGAFWZQCJRNWJB-QGZVFWFLSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508365 1269281299 /nfs/dbraw/zinc/28/12/99/1269281299.db2.gz LGAFWZQCJRNWJB-QGZVFWFLSA-N 2 2 335.879 2.647 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001113673322 1278491637 /nfs/dbraw/zinc/49/16/37/1278491637.db2.gz MCCHVGLXYZLBTF-INIZCTEOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001113673322 1278491642 /nfs/dbraw/zinc/49/16/42/1278491642.db2.gz MCCHVGLXYZLBTF-INIZCTEOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683887 1278508944 /nfs/dbraw/zinc/50/89/44/1278508944.db2.gz ACGIPRGSEJRKCJ-HKUYNNGSSA-N 2 2 329.488 2.788 20 30 EFEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001005392549 1270316329 /nfs/dbraw/zinc/31/63/29/1270316329.db2.gz AKNIJEFDSAFDRC-UHFFFAOYSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033879284 1270471641 /nfs/dbraw/zinc/47/16/41/1270471641.db2.gz ZIMJGIPBDWCWJQ-MRXNPFEDSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033879284 1270471645 /nfs/dbraw/zinc/47/16/45/1270471645.db2.gz ZIMJGIPBDWCWJQ-MRXNPFEDSA-N 2 2 346.862 2.932 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899294 1270526500 /nfs/dbraw/zinc/52/65/00/1270526500.db2.gz WXZOFNDOSUUAFH-INIZCTEOSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899294 1270526513 /nfs/dbraw/zinc/52/65/13/1270526513.db2.gz WXZOFNDOSUUAFH-INIZCTEOSA-N 2 2 332.835 2.623 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203332 1271317682 /nfs/dbraw/zinc/31/76/82/1271317682.db2.gz DUZLSBZYLHBODQ-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203332 1271317690 /nfs/dbraw/zinc/31/76/90/1271317690.db2.gz DUZLSBZYLHBODQ-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203332 1271317698 /nfs/dbraw/zinc/31/76/98/1271317698.db2.gz DUZLSBZYLHBODQ-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203332 1271317703 /nfs/dbraw/zinc/31/77/03/1271317703.db2.gz DUZLSBZYLHBODQ-JKSUJKDBSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086440835 1271493584 /nfs/dbraw/zinc/49/35/84/1271493584.db2.gz RKHYAMGGOHPOEU-KOMQPUFPSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291631 1271574012 /nfs/dbraw/zinc/57/40/12/1271574012.db2.gz MYKJCIHWOODREI-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291631 1271574020 /nfs/dbraw/zinc/57/40/20/1271574020.db2.gz MYKJCIHWOODREI-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310094 1271628135 /nfs/dbraw/zinc/62/81/35/1271628135.db2.gz TXGDVAUSVBZGEU-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310094 1271628140 /nfs/dbraw/zinc/62/81/40/1271628140.db2.gz TXGDVAUSVBZGEU-HNNXBMFYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331935 1271677809 /nfs/dbraw/zinc/67/78/09/1271677809.db2.gz WALFWLQWXIFDQF-IRXDYDNUSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331935 1271677812 /nfs/dbraw/zinc/67/78/12/1271677812.db2.gz WALFWLQWXIFDQF-IRXDYDNUSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331933 1271678217 /nfs/dbraw/zinc/67/82/17/1271678217.db2.gz WALFWLQWXIFDQF-DLBZAZTESA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331933 1271678224 /nfs/dbraw/zinc/67/82/24/1271678224.db2.gz WALFWLQWXIFDQF-DLBZAZTESA-N 2 2 339.911 2.584 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967445 1272559538 /nfs/dbraw/zinc/55/95/38/1272559538.db2.gz PPVIECQIKWTHIB-MJGOQNOKSA-N 2 2 342.443 2.558 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543280 1272566608 /nfs/dbraw/zinc/56/66/08/1272566608.db2.gz QQXOHOXZGMXVQB-UWVAXJGDSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543280 1272566620 /nfs/dbraw/zinc/56/66/20/1272566620.db2.gz QQXOHOXZGMXVQB-UWVAXJGDSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001034731787 1272751711 /nfs/dbraw/zinc/75/17/11/1272751711.db2.gz VLSLWKAGSHOOPL-IHRRRGAJSA-N 2 2 336.867 2.599 20 30 EFEDLP Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001169563852 1273009561 /nfs/dbraw/zinc/00/95/61/1273009561.db2.gz DIMOPIBUXVFKSE-LVPQDNNHSA-N 2 2 336.505 2.825 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001108711872 1273408565 /nfs/dbraw/zinc/40/85/65/1273408565.db2.gz UNXPTANEKJRSJX-SZMVWBNQSA-N 2 2 343.471 2.568 20 30 EFEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730301 1273417869 /nfs/dbraw/zinc/41/78/69/1273417869.db2.gz JFVOZCZDCZQBIJ-BZSNNMDCSA-N 2 2 325.456 2.613 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035195733 1273820219 /nfs/dbraw/zinc/82/02/19/1273820219.db2.gz GVLWJODMOKZYEG-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035195733 1273820230 /nfs/dbraw/zinc/82/02/30/1273820230.db2.gz GVLWJODMOKZYEG-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035195733 1273820237 /nfs/dbraw/zinc/82/02/37/1273820237.db2.gz GVLWJODMOKZYEG-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035195733 1273820251 /nfs/dbraw/zinc/82/02/51/1273820251.db2.gz GVLWJODMOKZYEG-IAGOWNOFSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035236515 1273895166 /nfs/dbraw/zinc/89/51/66/1273895166.db2.gz HBNXZVBRGINALL-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035236515 1273895174 /nfs/dbraw/zinc/89/51/74/1273895174.db2.gz HBNXZVBRGINALL-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035236515 1273895178 /nfs/dbraw/zinc/89/51/78/1273895178.db2.gz HBNXZVBRGINALL-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035236515 1273895184 /nfs/dbraw/zinc/89/51/84/1273895184.db2.gz HBNXZVBRGINALL-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035236516 1273895233 /nfs/dbraw/zinc/89/52/33/1273895233.db2.gz HBNXZVBRGINALL-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035236516 1273895242 /nfs/dbraw/zinc/89/52/42/1273895242.db2.gz HBNXZVBRGINALL-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035236516 1273895253 /nfs/dbraw/zinc/89/52/53/1273895253.db2.gz HBNXZVBRGINALL-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035236516 1273895259 /nfs/dbraw/zinc/89/52/59/1273895259.db2.gz HBNXZVBRGINALL-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001109462104 1274305776 /nfs/dbraw/zinc/30/57/76/1274305776.db2.gz BLLSOJSTJILTQD-LTDCPUDJSA-N 2 2 342.487 2.511 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001109462104 1274305781 /nfs/dbraw/zinc/30/57/81/1274305781.db2.gz BLLSOJSTJILTQD-LTDCPUDJSA-N 2 2 342.487 2.511 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001109462104 1274305792 /nfs/dbraw/zinc/30/57/92/1274305792.db2.gz BLLSOJSTJILTQD-LTDCPUDJSA-N 2 2 342.487 2.511 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001109462104 1274305800 /nfs/dbraw/zinc/30/58/00/1274305800.db2.gz BLLSOJSTJILTQD-LTDCPUDJSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109560770 1274418673 /nfs/dbraw/zinc/41/86/73/1274418673.db2.gz QPXGSPLSCQGTNV-PMPSAXMXSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109560770 1274418681 /nfs/dbraw/zinc/41/86/81/1274418681.db2.gz QPXGSPLSCQGTNV-PMPSAXMXSA-N 2 2 339.911 2.725 20 30 EFEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581173 1274446300 /nfs/dbraw/zinc/44/63/00/1274446300.db2.gz MNYCWNIRUWIXAN-SQNIBIBYSA-N 2 2 332.492 2.965 20 30 EFEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581173 1274446303 /nfs/dbraw/zinc/44/63/03/1274446303.db2.gz MNYCWNIRUWIXAN-SQNIBIBYSA-N 2 2 332.492 2.965 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035793244 1274489852 /nfs/dbraw/zinc/48/98/52/1274489852.db2.gz GNWARDKLTJWXEI-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109976240 1274920313 /nfs/dbraw/zinc/92/03/13/1274920313.db2.gz YAIKLLFEFVOJOB-NJAFHUGGSA-N 2 2 332.492 2.655 20 30 EFEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109976240 1274920322 /nfs/dbraw/zinc/92/03/22/1274920322.db2.gz YAIKLLFEFVOJOB-NJAFHUGGSA-N 2 2 332.492 2.655 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001036077063 1275036508 /nfs/dbraw/zinc/03/65/08/1275036508.db2.gz MZIPPMSHUMRBFV-DOMZBBRYSA-N 2 2 338.883 2.506 20 30 EFEDLP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110036337 1275041413 /nfs/dbraw/zinc/04/14/13/1275041413.db2.gz GYJNVKUNBABEBS-NJAFHUGGSA-N 2 2 332.492 2.953 20 30 EFEDLP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110036337 1275041418 /nfs/dbraw/zinc/04/14/18/1275041418.db2.gz GYJNVKUNBABEBS-NJAFHUGGSA-N 2 2 332.492 2.953 20 30 EFEDLP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136057517 1276374501 /nfs/dbraw/zinc/37/45/01/1276374501.db2.gz YZVKZKAWGBJSDO-SJORKVTESA-N 2 2 334.508 2.972 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817916705 1276375864 /nfs/dbraw/zinc/37/58/64/1276375864.db2.gz AOFNRXNZIJGCOK-USXIJHARSA-N 2 2 331.460 2.996 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170893553 1276498110 /nfs/dbraw/zinc/49/81/10/1276498110.db2.gz DVKAHBSXVDNMQV-INIZCTEOSA-N 2 2 332.492 2.603 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073058 1276619246 /nfs/dbraw/zinc/61/92/46/1276619246.db2.gz AUIJCVKVUIMDCG-PMACEKPBSA-N 2 2 325.456 2.781 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073058 1276619252 /nfs/dbraw/zinc/61/92/52/1276619252.db2.gz AUIJCVKVUIMDCG-PMACEKPBSA-N 2 2 325.456 2.781 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348481 1277638274 /nfs/dbraw/zinc/63/82/74/1277638274.db2.gz PFIHYKCYPGAMDA-SFHVURJKSA-N 2 2 344.503 2.645 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358243 1287411712 /nfs/dbraw/zinc/41/17/12/1287411712.db2.gz LQHCNZOKRJCWHW-RBSFLKMASA-N 2 2 338.883 2.541 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146560385 1280941246 /nfs/dbraw/zinc/94/12/46/1280941246.db2.gz AFULUMDSNRCYQU-JKSUJKDBSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146560385 1280941254 /nfs/dbraw/zinc/94/12/54/1280941254.db2.gz AFULUMDSNRCYQU-JKSUJKDBSA-N 2 2 349.544 2.945 20 30 EFEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170784276 1287485896 /nfs/dbraw/zinc/48/58/96/1287485896.db2.gz HUJNHESYPVFEBM-OAHLLOKOSA-N 2 2 326.444 2.544 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604972 1281646702 /nfs/dbraw/zinc/64/67/02/1281646702.db2.gz MDIKGESGVOLTFS-HNNXBMFYSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604972 1281646707 /nfs/dbraw/zinc/64/67/07/1281646707.db2.gz MDIKGESGVOLTFS-HNNXBMFYSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175719405 1287528720 /nfs/dbraw/zinc/52/87/20/1287528720.db2.gz IMPIWVTVDTYYAM-MRXNPFEDSA-N 2 2 328.460 2.636 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926038 1281946501 /nfs/dbraw/zinc/94/65/01/1281946501.db2.gz NTNFXKVRCWBIJX-INIZCTEOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926038 1281946510 /nfs/dbraw/zinc/94/65/10/1281946510.db2.gz NTNFXKVRCWBIJX-INIZCTEOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934642 1282008671 /nfs/dbraw/zinc/00/86/71/1282008671.db2.gz WGZGCLNMXYMTJE-KRWDZBQOSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954184 1282021656 /nfs/dbraw/zinc/02/16/56/1282021656.db2.gz FAWZAVRMZMDYHS-OAHLLOKOSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959496 1282034755 /nfs/dbraw/zinc/03/47/55/1282034755.db2.gz GTWWWBCOZXGQFN-QGZVFWFLSA-N 2 2 330.476 2.552 20 30 EFEDLP C#Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809646153 1282364811 /nfs/dbraw/zinc/36/48/11/1282364811.db2.gz UZWQOPMTLDLYFN-QFIPXVFZSA-N 2 2 334.463 2.737 20 30 EFEDLP C#Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809646153 1282364813 /nfs/dbraw/zinc/36/48/13/1282364813.db2.gz UZWQOPMTLDLYFN-QFIPXVFZSA-N 2 2 334.463 2.737 20 30 EFEDLP C#Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809646153 1282364818 /nfs/dbraw/zinc/36/48/18/1282364818.db2.gz UZWQOPMTLDLYFN-QFIPXVFZSA-N 2 2 334.463 2.737 20 30 EFEDLP C#Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809646153 1282364821 /nfs/dbraw/zinc/36/48/21/1282364821.db2.gz UZWQOPMTLDLYFN-QFIPXVFZSA-N 2 2 334.463 2.737 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001132049525 1282849325 /nfs/dbraw/zinc/84/93/25/1282849325.db2.gz DBAPWOASUMEERG-IRXDYDNUSA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001132049525 1282849335 /nfs/dbraw/zinc/84/93/35/1282849335.db2.gz DBAPWOASUMEERG-IRXDYDNUSA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222025 1283166579 /nfs/dbraw/zinc/16/65/79/1283166579.db2.gz RWAVBOUUCXEAQI-MSOLQXFVSA-N 2 2 332.492 2.989 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222025 1283166586 /nfs/dbraw/zinc/16/65/86/1283166586.db2.gz RWAVBOUUCXEAQI-MSOLQXFVSA-N 2 2 332.492 2.989 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310211 1283303462 /nfs/dbraw/zinc/30/34/62/1283303462.db2.gz JJQADTFXWMKXQE-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310211 1283303470 /nfs/dbraw/zinc/30/34/70/1283303470.db2.gz JJQADTFXWMKXQE-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310211 1283303478 /nfs/dbraw/zinc/30/34/78/1283303478.db2.gz JJQADTFXWMKXQE-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310211 1283303489 /nfs/dbraw/zinc/30/34/89/1283303489.db2.gz JJQADTFXWMKXQE-LSDHHAIUSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310209 1283306355 /nfs/dbraw/zinc/30/63/55/1283306355.db2.gz JJQADTFXWMKXQE-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310209 1283306370 /nfs/dbraw/zinc/30/63/70/1283306370.db2.gz JJQADTFXWMKXQE-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310209 1283306378 /nfs/dbraw/zinc/30/63/78/1283306378.db2.gz JJQADTFXWMKXQE-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310209 1283306388 /nfs/dbraw/zinc/30/63/88/1283306388.db2.gz JJQADTFXWMKXQE-GJZGRUSLSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036748342 1283395200 /nfs/dbraw/zinc/39/52/00/1283395200.db2.gz BRNOWCBPJWCPNS-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036748342 1283395207 /nfs/dbraw/zinc/39/52/07/1283395207.db2.gz BRNOWCBPJWCPNS-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423482 1283522094 /nfs/dbraw/zinc/52/20/94/1283522094.db2.gz AAMOQDASZIONOI-DLBZAZTESA-N 2 2 334.508 2.902 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423482 1283522109 /nfs/dbraw/zinc/52/21/09/1283522109.db2.gz AAMOQDASZIONOI-DLBZAZTESA-N 2 2 334.508 2.902 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423559 1283523341 /nfs/dbraw/zinc/52/33/41/1283523341.db2.gz AJOQCBYFDKNBOV-SJORKVTESA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132423559 1283523347 /nfs/dbraw/zinc/52/33/47/1283523347.db2.gz AJOQCBYFDKNBOV-SJORKVTESA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176001078 1287650875 /nfs/dbraw/zinc/65/08/75/1287650875.db2.gz ZURBHNUOLVRORU-MRXNPFEDSA-N 2 2 341.459 2.722 20 30 EFEDLP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380061 1283842251 /nfs/dbraw/zinc/84/22/51/1283842251.db2.gz PRTXHHKZMGQADD-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093380061 1283842261 /nfs/dbraw/zinc/84/22/61/1283842261.db2.gz PRTXHHKZMGQADD-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000815652508 1287672130 /nfs/dbraw/zinc/67/21/30/1287672130.db2.gz GHTXAAPBVXVWLA-OAHLLOKOSA-N 2 2 328.435 2.926 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000815652508 1287672132 /nfs/dbraw/zinc/67/21/32/1287672132.db2.gz GHTXAAPBVXVWLA-OAHLLOKOSA-N 2 2 328.435 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548843 1283909396 /nfs/dbraw/zinc/90/93/96/1283909396.db2.gz KHWKQFJZEZYFRY-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548843 1283909403 /nfs/dbraw/zinc/90/94/03/1283909403.db2.gz KHWKQFJZEZYFRY-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001176143981 1287701714 /nfs/dbraw/zinc/70/17/14/1287701714.db2.gz KQFRQLWIAOSXRF-MRXNPFEDSA-N 2 2 341.459 2.722 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036861121 1284380834 /nfs/dbraw/zinc/38/08/34/1284380834.db2.gz UDVHWLMTVGBJRQ-MJGOQNOKSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036861121 1284380847 /nfs/dbraw/zinc/38/08/47/1284380847.db2.gz UDVHWLMTVGBJRQ-MJGOQNOKSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869574 1284424564 /nfs/dbraw/zinc/42/45/64/1284424564.db2.gz HDVAFCOKKSJBKY-JKSUJKDBSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869574 1284424568 /nfs/dbraw/zinc/42/45/68/1284424568.db2.gz HDVAFCOKKSJBKY-JKSUJKDBSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132921229 1284468738 /nfs/dbraw/zinc/46/87/38/1284468738.db2.gz YDSCYSSUBLZBKP-SJLPKXTDSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132925010 1284474308 /nfs/dbraw/zinc/47/43/08/1284474308.db2.gz SXLKIDUAYZFOHA-AEFFLSMTSA-N 2 2 345.487 2.673 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132981872 1284566207 /nfs/dbraw/zinc/56/62/07/1284566207.db2.gz HASKNLSTYCSZDM-IAGOWNOFSA-N 2 2 340.471 2.988 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133241634 1285038419 /nfs/dbraw/zinc/03/84/19/1285038419.db2.gz KAACZPIMPRNWQD-ROUUACIJSA-N 2 2 346.519 2.783 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363409 1285263934 /nfs/dbraw/zinc/26/39/34/1285263934.db2.gz HZYRPBGLFQDCFF-QZTJIDSGSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363220 1285264107 /nfs/dbraw/zinc/26/41/07/1285264107.db2.gz FSJYAXCXCDPUCO-MSOLQXFVSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577208 1285657764 /nfs/dbraw/zinc/65/77/64/1285657764.db2.gz PLWIBZKJHTTYAZ-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171604172 1285672484 /nfs/dbraw/zinc/67/24/84/1285672484.db2.gz HHRFLIAAONOBPJ-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171603915 1285673192 /nfs/dbraw/zinc/67/31/92/1285673192.db2.gz DSGRZOXXXKQBIN-ZBFHGGJFSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171603915 1285673200 /nfs/dbraw/zinc/67/32/00/1285673200.db2.gz DSGRZOXXXKQBIN-ZBFHGGJFSA-N 2 2 332.492 2.664 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000813325539 1285793877 /nfs/dbraw/zinc/79/38/77/1285793877.db2.gz GOZWLXVJZNHAHM-MRXNPFEDSA-N 2 2 325.460 2.958 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097970 1289041668 /nfs/dbraw/zinc/04/16/68/1289041668.db2.gz WIRMRRPTIYWYMO-QGZVFWFLSA-N 2 2 334.508 2.974 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718445 1312669898 /nfs/dbraw/zinc/66/98/98/1312669898.db2.gz KOSYVQKFLALFIY-UHFFFAOYSA-N 2 2 332.492 2.769 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718379 1312669975 /nfs/dbraw/zinc/66/99/75/1312669975.db2.gz JNLIWWOWVZMKBH-UHFFFAOYSA-N 2 2 332.492 2.769 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172303996 1286090907 /nfs/dbraw/zinc/09/09/07/1286090907.db2.gz JPRHASVKQIDVDE-WTNAPCKOSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172307003 1286091712 /nfs/dbraw/zinc/09/17/12/1286091712.db2.gz ZHLYBHMRRXAIAM-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172307003 1286091714 /nfs/dbraw/zinc/09/17/14/1286091714.db2.gz ZHLYBHMRRXAIAM-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172307003 1286091718 /nfs/dbraw/zinc/09/17/18/1286091718.db2.gz ZHLYBHMRRXAIAM-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172307003 1286091721 /nfs/dbraw/zinc/09/17/21/1286091721.db2.gz ZHLYBHMRRXAIAM-UIFIKXQLSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001172306993 1286092023 /nfs/dbraw/zinc/09/20/23/1286092023.db2.gz ZHLYBHMRRXAIAM-DUXKGJEZSA-N 2 2 346.478 2.948 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172312139 1286094302 /nfs/dbraw/zinc/09/43/02/1286094302.db2.gz FBBDGJYRZOVYQZ-MRXNPFEDSA-N 2 2 336.439 2.715 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172312138 1286094765 /nfs/dbraw/zinc/09/47/65/1286094765.db2.gz FBBDGJYRZOVYQZ-INIZCTEOSA-N 2 2 336.439 2.715 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179776750 1289251877 /nfs/dbraw/zinc/25/18/77/1289251877.db2.gz HTKWBIITMPKUCS-ZDUSSCGKSA-N 2 2 326.872 2.607 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179776750 1289251879 /nfs/dbraw/zinc/25/18/79/1289251879.db2.gz HTKWBIITMPKUCS-ZDUSSCGKSA-N 2 2 326.872 2.607 20 30 EFEDLP N#CCC1CCC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173333521 1286528465 /nfs/dbraw/zinc/52/84/65/1286528465.db2.gz OVBAUKFEAZXMJH-UHFFFAOYSA-N 2 2 327.476 2.767 20 30 EFEDLP N#CCC1CCC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173333521 1286528467 /nfs/dbraw/zinc/52/84/67/1286528467.db2.gz OVBAUKFEAZXMJH-UHFFFAOYSA-N 2 2 327.476 2.767 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403528 1286660768 /nfs/dbraw/zinc/66/07/68/1286660768.db2.gz PAFLURNZOJZYEU-HOTGVXAUSA-N 2 2 332.492 2.601 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810801 1288132299 /nfs/dbraw/zinc/13/22/99/1288132299.db2.gz PAAIZTAYNJMHAP-HNNXBMFYSA-N 2 2 326.872 2.680 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176869748 1288156170 /nfs/dbraw/zinc/15/61/70/1288156170.db2.gz ABYGILHGIJEXOK-HNNXBMFYSA-N 2 2 335.517 2.557 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176869748 1288156174 /nfs/dbraw/zinc/15/61/74/1288156174.db2.gz ABYGILHGIJEXOK-HNNXBMFYSA-N 2 2 335.517 2.557 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177344952 1288401668 /nfs/dbraw/zinc/40/16/68/1288401668.db2.gz DYJPZQFPCBLEAI-QZTJIDSGSA-N 2 2 342.487 2.535 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177344952 1288401671 /nfs/dbraw/zinc/40/16/71/1288401671.db2.gz DYJPZQFPCBLEAI-QZTJIDSGSA-N 2 2 342.487 2.535 20 30 EFEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001177372170 1288406740 /nfs/dbraw/zinc/40/67/40/1288406740.db2.gz UAEPFQAAZPUTNM-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466652 1288431952 /nfs/dbraw/zinc/43/19/52/1288431952.db2.gz ADODLPRROTUKCR-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466932 1288431984 /nfs/dbraw/zinc/43/19/84/1288431984.db2.gz LJLGOKCCUHSUQL-UHFFFAOYSA-N 2 2 332.492 2.537 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177437068 1288440518 /nfs/dbraw/zinc/44/05/18/1288440518.db2.gz LKUDJGXNDSUNDP-QGZVFWFLSA-N 2 2 344.503 2.610 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177437068 1288440525 /nfs/dbraw/zinc/44/05/25/1288440525.db2.gz LKUDJGXNDSUNDP-QGZVFWFLSA-N 2 2 344.503 2.610 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135915843 1288595105 /nfs/dbraw/zinc/59/51/05/1288595105.db2.gz CTXAKQLPHNMBAR-KBPBESRZSA-N 2 2 347.850 2.506 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178864989 1288947944 /nfs/dbraw/zinc/94/79/44/1288947944.db2.gz MPFQEGYHAOGPJI-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819096 1312686629 /nfs/dbraw/zinc/68/66/29/1312686629.db2.gz JUTSKJOPTKRTSJ-IRXDYDNUSA-N 2 2 344.503 2.676 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178956990 1288997921 /nfs/dbraw/zinc/99/79/21/1288997921.db2.gz HEITVYTVOLFXBL-JYJNAYRXSA-N 2 2 338.883 2.802 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179018792 1289005591 /nfs/dbraw/zinc/00/55/91/1289005591.db2.gz IUQBVIJWQJEVEW-BZSNNMDCSA-N 2 2 344.503 2.771 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC001179714918 1289243059 /nfs/dbraw/zinc/24/30/59/1289243059.db2.gz QRXIADHDBBFOEG-WMZOPIPTSA-N 2 2 340.471 2.730 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001179977426 1289348198 /nfs/dbraw/zinc/34/81/98/1289348198.db2.gz PPKJZBLLEIOPMF-UHFFFAOYSA-N 2 2 341.459 2.723 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001180386329 1289502530 /nfs/dbraw/zinc/50/25/30/1289502530.db2.gz CBCKWHVMBVETSQ-LJQANCHMSA-N 2 2 346.519 2.917 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001180386572 1289502846 /nfs/dbraw/zinc/50/28/46/1289502846.db2.gz DUQKBUKZAZXWBI-LJQANCHMSA-N 2 2 346.519 2.917 20 30 EFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCS[C@@H](CC)C1 ZINC000124399491 1289565042 /nfs/dbraw/zinc/56/50/42/1289565042.db2.gz PRSYHIUYICMRBC-INIZCTEOSA-N 2 2 349.548 2.555 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc3ccoc3cn2)CC1 ZINC001232554057 1312730977 /nfs/dbraw/zinc/73/09/77/1312730977.db2.gz DORZVPVAYPFMAQ-UHFFFAOYSA-N 2 2 340.471 2.619 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181278567 1289761307 /nfs/dbraw/zinc/76/13/07/1289761307.db2.gz FBLINSWYNUQABI-GPMSIDNRSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182579199 1290223883 /nfs/dbraw/zinc/22/38/83/1290223883.db2.gz DCPDXULMRVUDSV-JXXFODFXSA-N 2 2 344.503 2.870 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271113 1290322867 /nfs/dbraw/zinc/32/28/67/1290322867.db2.gz DRAXLSKFKUVFFI-SPYBWZPUSA-N 2 2 332.492 2.690 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399859 1290455218 /nfs/dbraw/zinc/45/52/18/1290455218.db2.gz OYTGIMKUTAWRQG-MAUKXSAKSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651745 1290488926 /nfs/dbraw/zinc/48/89/26/1290488926.db2.gz HYNYEVAFWWJHOG-WBVHZDCISA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184654434 1290489466 /nfs/dbraw/zinc/48/94/66/1290489466.db2.gz WFMQASZEYMGMMK-SJORKVTESA-N 2 2 345.487 2.673 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184653964 1290490158 /nfs/dbraw/zinc/49/01/58/1290490158.db2.gz UTPSPRWMZKAOCG-IAGOWNOFSA-N 2 2 345.487 2.673 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184653962 1290490325 /nfs/dbraw/zinc/49/03/25/1290490325.db2.gz UTPSPRWMZKAOCG-DLBZAZTESA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273491123 1290511511 /nfs/dbraw/zinc/51/15/11/1290511511.db2.gz BTELTPNWCUIYOD-IBGZPJMESA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273491123 1290511519 /nfs/dbraw/zinc/51/15/19/1290511519.db2.gz BTELTPNWCUIYOD-IBGZPJMESA-N 2 2 330.476 2.591 20 30 EFEDLP C=CCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273501438 1290640978 /nfs/dbraw/zinc/64/09/78/1290640978.db2.gz RKOICBVCLBPYJZ-IBGZPJMESA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273501438 1290640984 /nfs/dbraw/zinc/64/09/84/1290640984.db2.gz RKOICBVCLBPYJZ-IBGZPJMESA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185382286 1290662544 /nfs/dbraw/zinc/66/25/44/1290662544.db2.gz YKGLZIUJTQLBIY-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185490761 1290703762 /nfs/dbraw/zinc/70/37/62/1290703762.db2.gz BXPHUHRJTWKWKC-HOTGVXAUSA-N 2 2 332.492 2.728 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009052 1291105344 /nfs/dbraw/zinc/10/53/44/1291105344.db2.gz GDBNDLRLKIWHFK-HOTGVXAUSA-N 2 2 337.508 2.918 20 30 EFEDLP N#CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001137116972 1291142330 /nfs/dbraw/zinc/14/23/30/1291142330.db2.gz XFXYKQRUGZQBHV-BGYRXZFFSA-N 2 2 348.450 2.548 20 30 EFEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001137116972 1291142334 /nfs/dbraw/zinc/14/23/34/1291142334.db2.gz XFXYKQRUGZQBHV-BGYRXZFFSA-N 2 2 348.450 2.548 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001137116972 1291142338 /nfs/dbraw/zinc/14/23/38/1291142338.db2.gz XFXYKQRUGZQBHV-BGYRXZFFSA-N 2 2 348.450 2.548 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001137116972 1291142342 /nfs/dbraw/zinc/14/23/42/1291142342.db2.gz XFXYKQRUGZQBHV-BGYRXZFFSA-N 2 2 348.450 2.548 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001188188514 1291327071 /nfs/dbraw/zinc/32/70/71/1291327071.db2.gz YPBVXHUDIWMQTR-RTBURBONSA-N 2 2 346.519 2.845 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001233080281 1312850750 /nfs/dbraw/zinc/85/07/50/1312850750.db2.gz WUNNENIRSUQGNL-NHCUHLMSSA-N 2 2 332.451 2.826 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001233081835 1312851941 /nfs/dbraw/zinc/85/19/41/1312851941.db2.gz QUYILNQHLJEASJ-PMACEKPBSA-N 2 2 332.451 2.826 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000878172317 1291533956 /nfs/dbraw/zinc/53/39/56/1291533956.db2.gz GJLQYMNFFQUQLA-FQEVSTJZSA-N 2 2 336.439 2.961 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957542042 1291734637 /nfs/dbraw/zinc/73/46/37/1291734637.db2.gz QIWKUTPFYCDBRQ-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)CCc3[nH+]ccn3C)CC2)CC1 ZINC000957584486 1291803100 /nfs/dbraw/zinc/80/31/00/1291803100.db2.gz PYMHNFVUTRTVRC-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049463805 1312888739 /nfs/dbraw/zinc/88/87/39/1312888739.db2.gz JNBNPUKIFTVIOX-BRWVUGGUSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049463805 1312888743 /nfs/dbraw/zinc/88/87/43/1312888743.db2.gz JNBNPUKIFTVIOX-BRWVUGGUSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049463805 1312888747 /nfs/dbraw/zinc/88/87/47/1312888747.db2.gz JNBNPUKIFTVIOX-BRWVUGGUSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049463805 1312888751 /nfs/dbraw/zinc/88/87/51/1312888751.db2.gz JNBNPUKIFTVIOX-BRWVUGGUSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049463807 1312888804 /nfs/dbraw/zinc/88/88/04/1312888804.db2.gz JNBNPUKIFTVIOX-ZACQAIPSSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049463807 1312888808 /nfs/dbraw/zinc/88/88/08/1312888808.db2.gz JNBNPUKIFTVIOX-ZACQAIPSSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049463807 1312888812 /nfs/dbraw/zinc/88/88/12/1312888812.db2.gz JNBNPUKIFTVIOX-ZACQAIPSSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049463807 1312888816 /nfs/dbraw/zinc/88/88/16/1312888816.db2.gz JNBNPUKIFTVIOX-ZACQAIPSSA-N 2 2 339.911 2.677 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189941826 1291942536 /nfs/dbraw/zinc/94/25/36/1291942536.db2.gz DUZGRHGVWQSAAO-FUHWJXTLSA-N 2 2 332.492 2.764 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189941826 1291942543 /nfs/dbraw/zinc/94/25/43/1291942543.db2.gz DUZGRHGVWQSAAO-FUHWJXTLSA-N 2 2 332.492 2.764 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478503 1312907052 /nfs/dbraw/zinc/90/70/52/1312907052.db2.gz PBIIZTWSGNABFU-ROUUACIJSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478503 1312907056 /nfs/dbraw/zinc/90/70/56/1312907056.db2.gz PBIIZTWSGNABFU-ROUUACIJSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878554 1292359392 /nfs/dbraw/zinc/35/93/92/1292359392.db2.gz JFXZGUGUBWLYEK-DOTOQJQBSA-N 2 2 331.460 2.520 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190878554 1292359396 /nfs/dbraw/zinc/35/93/96/1292359396.db2.gz JFXZGUGUBWLYEK-DOTOQJQBSA-N 2 2 331.460 2.520 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523747 1312963902 /nfs/dbraw/zinc/96/39/02/1312963902.db2.gz GTUYWYNQIYBVQH-BZUAXINKSA-N 2 2 348.878 2.578 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523747 1312963906 /nfs/dbraw/zinc/96/39/06/1312963906.db2.gz GTUYWYNQIYBVQH-BZUAXINKSA-N 2 2 348.878 2.578 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523751 1312963918 /nfs/dbraw/zinc/96/39/18/1312963918.db2.gz GTUYWYNQIYBVQH-XHSDSOJGSA-N 2 2 348.878 2.578 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523751 1312963921 /nfs/dbraw/zinc/96/39/21/1312963921.db2.gz GTUYWYNQIYBVQH-XHSDSOJGSA-N 2 2 348.878 2.578 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605335 1312968664 /nfs/dbraw/zinc/96/86/64/1312968664.db2.gz KKVAODZTEFAALC-QZTJIDSGSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545898 1312993828 /nfs/dbraw/zinc/99/38/28/1312993828.db2.gz NTGPIQFGNIZRTF-DLBZAZTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545898 1312993831 /nfs/dbraw/zinc/99/38/31/1312993831.db2.gz NTGPIQFGNIZRTF-DLBZAZTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202552710 1293453174 /nfs/dbraw/zinc/45/31/74/1293453174.db2.gz QAHNPMYWVCVSOI-QZTJIDSGSA-N 2 2 344.503 2.851 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814186 1313022323 /nfs/dbraw/zinc/02/23/23/1313022323.db2.gz HQERATNTXVCZPT-SJORKVTESA-N 2 2 330.476 2.647 20 30 EFEDLP C=CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccncc1 ZINC000775635374 1293793510 /nfs/dbraw/zinc/79/35/10/1293793510.db2.gz WZGUXOVAIJFUGU-SFHVURJKSA-N 2 2 331.460 2.706 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196349625 1294207903 /nfs/dbraw/zinc/20/79/03/1294207903.db2.gz LJZAELCMWISRPL-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196349625 1294207911 /nfs/dbraw/zinc/20/79/11/1294207911.db2.gz LJZAELCMWISRPL-GOSISDBHSA-N 2 2 346.519 2.950 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126102 1294464053 /nfs/dbraw/zinc/46/40/53/1294464053.db2.gz SZIZTCNMWJRCRM-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126102 1294464056 /nfs/dbraw/zinc/46/40/56/1294464056.db2.gz SZIZTCNMWJRCRM-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccco1 ZINC000303864544 1294592316 /nfs/dbraw/zinc/59/23/16/1294592316.db2.gz BAJQGYYSEXRJDX-KRWDZBQOSA-N 2 2 328.460 2.810 20 30 EFEDLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)c1 ZINC000303881003 1294596635 /nfs/dbraw/zinc/59/66/35/1294596635.db2.gz KMHSICJPLYXDOI-UHFFFAOYSA-N 2 2 342.443 2.562 20 30 EFEDLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000303881003 1294596640 /nfs/dbraw/zinc/59/66/40/1294596640.db2.gz KMHSICJPLYXDOI-UHFFFAOYSA-N 2 2 342.443 2.562 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758037 1313267246 /nfs/dbraw/zinc/26/72/46/1313267246.db2.gz FYQYOEDXRFNQSO-RCCFBDPRSA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758037 1313267250 /nfs/dbraw/zinc/26/72/50/1313267250.db2.gz FYQYOEDXRFNQSO-RCCFBDPRSA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000960280476 1296699548 /nfs/dbraw/zinc/69/95/48/1296699548.db2.gz DLJHUUOPHUBXDJ-YLJYHZDGSA-N 2 2 346.434 2.896 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000960305115 1296721515 /nfs/dbraw/zinc/72/15/15/1296721515.db2.gz SHBRVWUILKBINA-LSBZLQRGSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000960305115 1296721521 /nfs/dbraw/zinc/72/15/21/1296721521.db2.gz SHBRVWUILKBINA-LSBZLQRGSA-N 2 2 347.890 2.595 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321176 1296725140 /nfs/dbraw/zinc/72/51/40/1296725140.db2.gz GQLHIZRSFXSIEW-QGZVFWFLSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782899 1313296739 /nfs/dbraw/zinc/29/67/39/1313296739.db2.gz RWWPJKBIRZECLH-KBAYOESNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782899 1313296742 /nfs/dbraw/zinc/29/67/42/1313296742.db2.gz RWWPJKBIRZECLH-KBAYOESNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049782899 1313296744 /nfs/dbraw/zinc/29/67/44/1313296744.db2.gz RWWPJKBIRZECLH-KBAYOESNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049782899 1313296748 /nfs/dbraw/zinc/29/67/48/1313296748.db2.gz RWWPJKBIRZECLH-KBAYOESNSA-N 2 2 330.476 2.620 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537329 1313307966 /nfs/dbraw/zinc/30/79/66/1313307966.db2.gz PHMKFPLDEZIPPP-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCCC#N)C3)cc1C#N ZINC001277948843 1313336371 /nfs/dbraw/zinc/33/63/71/1313336371.db2.gz NWXSEPUWBNFEBM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCCC#N)C3)cc1C#N ZINC001277948843 1313336375 /nfs/dbraw/zinc/33/63/75/1313336375.db2.gz NWXSEPUWBNFEBM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCCC#N)C3)cc1C#N ZINC001277948843 1313336377 /nfs/dbraw/zinc/33/63/77/1313336377.db2.gz NWXSEPUWBNFEBM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCCC#N)C3)cc1C#N ZINC001277948843 1313336382 /nfs/dbraw/zinc/33/63/82/1313336382.db2.gz NWXSEPUWBNFEBM-FQEVSTJZSA-N 2 2 339.487 2.879 20 30 EFEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522566 1313343189 /nfs/dbraw/zinc/34/31/89/1313343189.db2.gz QFWHZCRTDWDJHQ-QHAWAJNXSA-N 2 2 344.499 2.630 20 30 EFEDLP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522566 1313343193 /nfs/dbraw/zinc/34/31/93/1313343193.db2.gz QFWHZCRTDWDJHQ-QHAWAJNXSA-N 2 2 344.499 2.630 20 30 EFEDLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCCC#N)C3)n(C)n1 ZINC001277951004 1313343603 /nfs/dbraw/zinc/34/36/03/1313343603.db2.gz BODDQVDPKGAVDW-LJQANCHMSA-N 2 2 329.492 2.710 20 30 EFEDLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCCC#N)C3)n(C)n1 ZINC001277951004 1313343606 /nfs/dbraw/zinc/34/36/06/1313343606.db2.gz BODDQVDPKGAVDW-LJQANCHMSA-N 2 2 329.492 2.710 20 30 EFEDLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCCC#N)C3)n(C)n1 ZINC001277951004 1313343610 /nfs/dbraw/zinc/34/36/10/1313343610.db2.gz BODDQVDPKGAVDW-LJQANCHMSA-N 2 2 329.492 2.710 20 30 EFEDLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCCC#N)C3)n(C)n1 ZINC001277951004 1313343612 /nfs/dbraw/zinc/34/36/12/1313343612.db2.gz BODDQVDPKGAVDW-LJQANCHMSA-N 2 2 329.492 2.710 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000106246097 1297138297 /nfs/dbraw/zinc/13/82/97/1297138297.db2.gz HBGAXVHQEFPFPX-UHFFFAOYSA-N 2 2 334.460 2.843 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205805621 1313359182 /nfs/dbraw/zinc/35/91/82/1313359182.db2.gz RDKIYLXZLYOVMM-UHFFFAOYSA-N 2 2 332.492 2.848 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565906 1313415825 /nfs/dbraw/zinc/41/58/25/1313415825.db2.gz ZJASBXNMNSXVSW-ZACQAIPSSA-N 2 2 330.476 2.648 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565906 1313415826 /nfs/dbraw/zinc/41/58/26/1313415826.db2.gz ZJASBXNMNSXVSW-ZACQAIPSSA-N 2 2 330.476 2.648 20 30 EFEDLP C=CC[NH2+]CCN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001236144990 1313446639 /nfs/dbraw/zinc/44/66/39/1313446639.db2.gz RFVIJGKMZPGNHM-UHFFFAOYSA-N 2 2 327.394 2.599 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567781 1298031994 /nfs/dbraw/zinc/03/19/94/1298031994.db2.gz XIHSQCZCQWDQBM-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567781 1298032003 /nfs/dbraw/zinc/03/20/03/1298032003.db2.gz XIHSQCZCQWDQBM-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533241 1313472331 /nfs/dbraw/zinc/47/23/31/1313472331.db2.gz BPECGEXADYZNDL-JKSUJKDBSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533241 1313472333 /nfs/dbraw/zinc/47/23/33/1313472333.db2.gz BPECGEXADYZNDL-JKSUJKDBSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[NH2+]CC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001206587513 1313479746 /nfs/dbraw/zinc/47/97/46/1313479746.db2.gz KDZIGYACXBFZTR-UHFFFAOYSA-N 2 2 340.471 2.590 20 30 EFEDLP N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001206684114 1313491300 /nfs/dbraw/zinc/49/13/00/1313491300.db2.gz OPIDWTFBKIDJKW-UHFFFAOYSA-N 2 2 347.462 2.949 20 30 EFEDLP N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001206684114 1313491302 /nfs/dbraw/zinc/49/13/02/1313491302.db2.gz OPIDWTFBKIDJKW-UHFFFAOYSA-N 2 2 347.462 2.949 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260411 1298441262 /nfs/dbraw/zinc/44/12/62/1298441262.db2.gz ILJVBNWHVUROMP-IAGOWNOFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260411 1298441265 /nfs/dbraw/zinc/44/12/65/1298441265.db2.gz ILJVBNWHVUROMP-IAGOWNOFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH+]c(C)n1C)CC2 ZINC001206792583 1313510252 /nfs/dbraw/zinc/51/02/52/1313510252.db2.gz ZILOYYAKJWMCCG-UHFFFAOYSA-N 2 2 346.475 2.729 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961366992 1298624374 /nfs/dbraw/zinc/62/43/74/1298624374.db2.gz KFKOQCBNSRBMCB-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961366992 1298624380 /nfs/dbraw/zinc/62/43/80/1298624380.db2.gz KFKOQCBNSRBMCB-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961366992 1298624391 /nfs/dbraw/zinc/62/43/91/1298624391.db2.gz KFKOQCBNSRBMCB-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961366992 1298624401 /nfs/dbraw/zinc/62/44/01/1298624401.db2.gz KFKOQCBNSRBMCB-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872911 1313531564 /nfs/dbraw/zinc/53/15/64/1313531564.db2.gz YHBAPIZGCOESJO-OAHLLOKOSA-N 2 2 332.492 2.870 20 30 EFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001413046036 1298750164 /nfs/dbraw/zinc/75/01/64/1298750164.db2.gz LMUWSLODVDDATA-OALUTQOASA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001413046036 1298750175 /nfs/dbraw/zinc/75/01/75/1298750175.db2.gz LMUWSLODVDDATA-OALUTQOASA-N 2 2 348.535 2.581 20 30 EFEDLP C[NH+]1CCN(c2cc(C[NH+]3CCC(C)(C#N)CC3)ccc2F)CC1 ZINC001236971657 1313563879 /nfs/dbraw/zinc/56/38/79/1313563879.db2.gz IWIGIOFMYJOSGF-UHFFFAOYSA-N 2 2 330.451 2.703 20 30 EFEDLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc(C#N)n(C)c4)C[C@@H]3C2)cc1 ZINC001207104128 1313613030 /nfs/dbraw/zinc/61/30/30/1313613030.db2.gz LBOYVPRTXJTOSW-PMACEKPBSA-N 2 2 334.467 2.769 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963309730 1300566864 /nfs/dbraw/zinc/56/68/64/1300566864.db2.gz AQEPFEPIFDKCFE-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963309730 1300566872 /nfs/dbraw/zinc/56/68/72/1300566872.db2.gz AQEPFEPIFDKCFE-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963309730 1300566874 /nfs/dbraw/zinc/56/68/74/1300566874.db2.gz AQEPFEPIFDKCFE-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963309730 1300566877 /nfs/dbraw/zinc/56/68/77/1300566877.db2.gz AQEPFEPIFDKCFE-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000963322275 1300596400 /nfs/dbraw/zinc/59/64/00/1300596400.db2.gz GWNZNUZPUAFSSJ-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000963322275 1300596407 /nfs/dbraw/zinc/59/64/07/1300596407.db2.gz GWNZNUZPUAFSSJ-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386347 1300746765 /nfs/dbraw/zinc/74/67/65/1300746765.db2.gz OMKJVCNWZNNUOE-JKSUJKDBSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386347 1300746769 /nfs/dbraw/zinc/74/67/69/1300746769.db2.gz OMKJVCNWZNNUOE-JKSUJKDBSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387965 1300750106 /nfs/dbraw/zinc/75/01/06/1300750106.db2.gz XILSAKVILXTDRN-SJORKVTESA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387965 1300750115 /nfs/dbraw/zinc/75/01/15/1300750115.db2.gz XILSAKVILXTDRN-SJORKVTESA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401227 1300770993 /nfs/dbraw/zinc/77/09/93/1300770993.db2.gz FQVDVZDITVPKIU-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401227 1300771000 /nfs/dbraw/zinc/77/10/00/1300771000.db2.gz FQVDVZDITVPKIU-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409974 1300789088 /nfs/dbraw/zinc/78/90/88/1300789088.db2.gz YTPKMXKTWOJCLA-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409974 1300789093 /nfs/dbraw/zinc/78/90/93/1300789093.db2.gz YTPKMXKTWOJCLA-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407697 1313922264 /nfs/dbraw/zinc/92/22/64/1313922264.db2.gz HMWUZKVFIWNCJF-DOTOQJQBSA-N 2 2 331.460 2.568 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450640 1313931774 /nfs/dbraw/zinc/93/17/74/1313931774.db2.gz IWMPGABUPPUYPM-ZWKOTPCHSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239777 1303774438 /nfs/dbraw/zinc/77/44/38/1303774438.db2.gz XCDUINAEAIPEHG-AEFFLSMTSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239777 1303774444 /nfs/dbraw/zinc/77/44/44/1303774444.db2.gz XCDUINAEAIPEHG-AEFFLSMTSA-N 2 2 344.503 2.555 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678415 1313991852 /nfs/dbraw/zinc/99/18/52/1313991852.db2.gz HKSYUORKKSQFOT-KRWDZBQOSA-N 2 2 334.508 2.904 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114900977 1304581098 /nfs/dbraw/zinc/58/10/98/1304581098.db2.gz AWNUXGPLLFEGEM-VXNCWWDNSA-N 2 2 332.492 2.851 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114900977 1304581101 /nfs/dbraw/zinc/58/11/01/1304581101.db2.gz AWNUXGPLLFEGEM-VXNCWWDNSA-N 2 2 332.492 2.851 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1CC ZINC001037945764 1305127703 /nfs/dbraw/zinc/12/77/03/1305127703.db2.gz LHFMTJVNBSRNLU-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP N#Cc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208922180 1314047095 /nfs/dbraw/zinc/04/70/95/1314047095.db2.gz CZDRMSXTAUCNOV-BGYRXZFFSA-N 2 2 332.451 2.560 20 30 EFEDLP N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208922180 1314047098 /nfs/dbraw/zinc/04/70/98/1314047098.db2.gz CZDRMSXTAUCNOV-BGYRXZFFSA-N 2 2 332.451 2.560 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208922180 1314047101 /nfs/dbraw/zinc/04/71/01/1314047101.db2.gz CZDRMSXTAUCNOV-BGYRXZFFSA-N 2 2 332.451 2.560 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208922180 1314047103 /nfs/dbraw/zinc/04/71/03/1314047103.db2.gz CZDRMSXTAUCNOV-BGYRXZFFSA-N 2 2 332.451 2.560 20 30 EFEDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208927685 1314048355 /nfs/dbraw/zinc/04/83/55/1314048355.db2.gz OMXBKZMGMOTPHB-FQEVSTJZSA-N 2 2 327.472 2.676 20 30 EFEDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208927685 1314048359 /nfs/dbraw/zinc/04/83/59/1314048359.db2.gz OMXBKZMGMOTPHB-FQEVSTJZSA-N 2 2 327.472 2.676 20 30 EFEDLP C=CCN(CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC001209020387 1314071652 /nfs/dbraw/zinc/07/16/52/1314071652.db2.gz IGVNZBYZQJYZIB-UHFFFAOYSA-N 2 2 342.443 2.949 20 30 EFEDLP C=CCN(CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC001209020387 1314071656 /nfs/dbraw/zinc/07/16/56/1314071656.db2.gz IGVNZBYZQJYZIB-UHFFFAOYSA-N 2 2 342.443 2.949 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417541 1306288442 /nfs/dbraw/zinc/28/84/42/1306288442.db2.gz FZZGKBGULMTZRP-KSSFIOAISA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417541 1306288451 /nfs/dbraw/zinc/28/84/51/1306288451.db2.gz FZZGKBGULMTZRP-KSSFIOAISA-N 2 2 349.906 2.941 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496948 1306399920 /nfs/dbraw/zinc/39/99/20/1306399920.db2.gz FURZNEIDSUVVSC-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496948 1306399921 /nfs/dbraw/zinc/39/99/21/1306399921.db2.gz FURZNEIDSUVVSC-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674039 1306557636 /nfs/dbraw/zinc/55/76/36/1306557636.db2.gz OFUIOZPKADVMBD-KDOFPFPSSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674039 1306557641 /nfs/dbraw/zinc/55/76/41/1306557641.db2.gz OFUIOZPKADVMBD-KDOFPFPSSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001044605196 1306652058 /nfs/dbraw/zinc/65/20/58/1306652058.db2.gz NUJZAGGENLARHP-CZUORRHYSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001044649600 1306688210 /nfs/dbraw/zinc/68/82/10/1306688210.db2.gz WCFOXMYNRDRSLV-JSGCOSHPSA-N 2 2 332.835 2.898 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968894079 1306769313 /nfs/dbraw/zinc/76/93/13/1306769313.db2.gz ZYNWUDRFQURMFM-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968894079 1306769316 /nfs/dbraw/zinc/76/93/16/1306769316.db2.gz ZYNWUDRFQURMFM-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968894079 1306769321 /nfs/dbraw/zinc/76/93/21/1306769321.db2.gz ZYNWUDRFQURMFM-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968894079 1306769326 /nfs/dbraw/zinc/76/93/26/1306769326.db2.gz ZYNWUDRFQURMFM-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968926249 1306805807 /nfs/dbraw/zinc/80/58/07/1306805807.db2.gz YEUANHYZNJQJNA-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968926249 1306805811 /nfs/dbraw/zinc/80/58/11/1306805811.db2.gz YEUANHYZNJQJNA-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926081 1306806050 /nfs/dbraw/zinc/80/60/50/1306806050.db2.gz UIIQAPYQDOGVPS-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926081 1306806054 /nfs/dbraw/zinc/80/60/54/1306806054.db2.gz UIIQAPYQDOGVPS-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969023241 1306900929 /nfs/dbraw/zinc/90/09/29/1306900929.db2.gz OHNNMGOZPDHEMV-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969023241 1306900935 /nfs/dbraw/zinc/90/09/35/1306900935.db2.gz OHNNMGOZPDHEMV-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553233 1307425539 /nfs/dbraw/zinc/42/55/39/1307425539.db2.gz KFEQXVKRGZKZCS-OAHLLOKOSA-N 2 2 330.476 2.767 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007519259 1307487526 /nfs/dbraw/zinc/48/75/26/1307487526.db2.gz MUUZNIZMMGJHCH-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007519259 1307487531 /nfs/dbraw/zinc/48/75/31/1307487531.db2.gz MUUZNIZMMGJHCH-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007519259 1307487537 /nfs/dbraw/zinc/48/75/37/1307487537.db2.gz MUUZNIZMMGJHCH-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007519259 1307487542 /nfs/dbraw/zinc/48/75/42/1307487542.db2.gz MUUZNIZMMGJHCH-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953385 1307987474 /nfs/dbraw/zinc/98/74/74/1307987474.db2.gz YBYKDJMPHNZOHN-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953385 1307987478 /nfs/dbraw/zinc/98/74/78/1307987478.db2.gz YBYKDJMPHNZOHN-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969821 1308033021 /nfs/dbraw/zinc/03/30/21/1308033021.db2.gz ZTHPLCBNGSHJMM-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969821 1308033025 /nfs/dbraw/zinc/03/30/25/1308033025.db2.gz ZTHPLCBNGSHJMM-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969590 1308033370 /nfs/dbraw/zinc/03/33/70/1308033370.db2.gz UDQQXPIPVKZILB-QUCCMNQESA-N 2 2 342.487 2.562 20 30 EFEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969590 1308033376 /nfs/dbraw/zinc/03/33/76/1308033376.db2.gz UDQQXPIPVKZILB-QUCCMNQESA-N 2 2 342.487 2.562 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973035 1308041911 /nfs/dbraw/zinc/04/19/11/1308041911.db2.gz KVZBGHBNBAOXSL-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973035 1308041916 /nfs/dbraw/zinc/04/19/16/1308041916.db2.gz KVZBGHBNBAOXSL-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973035 1308041920 /nfs/dbraw/zinc/04/19/20/1308041920.db2.gz KVZBGHBNBAOXSL-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973035 1308041927 /nfs/dbraw/zinc/04/19/27/1308041927.db2.gz KVZBGHBNBAOXSL-FXAWDEMLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979611 1308062635 /nfs/dbraw/zinc/06/26/35/1308062635.db2.gz IMBBCIYRSRVKEO-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045979611 1308062638 /nfs/dbraw/zinc/06/26/38/1308062638.db2.gz IMBBCIYRSRVKEO-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982119 1308074563 /nfs/dbraw/zinc/07/45/63/1308074563.db2.gz OFLUXYVCKLQZCY-IBGZPJMESA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982119 1308074570 /nfs/dbraw/zinc/07/45/70/1308074570.db2.gz OFLUXYVCKLQZCY-IBGZPJMESA-N 2 2 330.476 2.541 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051892 1314276139 /nfs/dbraw/zinc/27/61/39/1314276139.db2.gz KUDTTXUPNVCTRQ-DLBZAZTESA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051892 1314276142 /nfs/dbraw/zinc/27/61/42/1314276142.db2.gz KUDTTXUPNVCTRQ-DLBZAZTESA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210051894 1314276375 /nfs/dbraw/zinc/27/63/75/1314276375.db2.gz KUDTTXUPNVCTRQ-IRXDYDNUSA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210051894 1314276379 /nfs/dbraw/zinc/27/63/79/1314276379.db2.gz KUDTTXUPNVCTRQ-IRXDYDNUSA-N 2 2 332.492 2.915 20 30 EFEDLP N#Cc1c2c(cnc1-c1ccc(Cn3cc[nH+]c3)cc1)C[NH2+]CCC2 ZINC001243657207 1314308998 /nfs/dbraw/zinc/30/89/98/1314308998.db2.gz MELOCNMGZWVWCZ-UHFFFAOYSA-N 2 2 329.407 2.901 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052793749 1314376488 /nfs/dbraw/zinc/37/64/88/1314376488.db2.gz CFVKUPNILKLEIX-KRWDZBQOSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052793749 1314376492 /nfs/dbraw/zinc/37/64/92/1314376492.db2.gz CFVKUPNILKLEIX-KRWDZBQOSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723673 1314377875 /nfs/dbraw/zinc/37/78/75/1314377875.db2.gz PCOPPFXEFMJWEK-SJLPKXTDSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723673 1314377878 /nfs/dbraw/zinc/37/78/78/1314377878.db2.gz PCOPPFXEFMJWEK-SJLPKXTDSA-N 2 2 332.492 2.536 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466201 1311066425 /nfs/dbraw/zinc/06/64/25/1311066425.db2.gz MAQRAPKDOOBKTF-YRXWBPOGSA-N 2 2 327.472 2.587 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111466201 1311066426 /nfs/dbraw/zinc/06/64/26/1311066426.db2.gz MAQRAPKDOOBKTF-YRXWBPOGSA-N 2 2 327.472 2.587 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093437 1311083291 /nfs/dbraw/zinc/08/32/91/1311083291.db2.gz ALVRRRZXCDGOFO-KZNAEPCWSA-N 2 2 330.476 2.551 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093437 1311083294 /nfs/dbraw/zinc/08/32/94/1311083294.db2.gz ALVRRRZXCDGOFO-KZNAEPCWSA-N 2 2 330.476 2.551 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099359949 1311089230 /nfs/dbraw/zinc/08/92/30/1311089230.db2.gz UWXWGSRWQUQIGT-KRWDZBQOSA-N 2 2 332.492 2.846 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099359949 1311089233 /nfs/dbraw/zinc/08/92/33/1311089233.db2.gz UWXWGSRWQUQIGT-KRWDZBQOSA-N 2 2 332.492 2.846 20 30 EFEDLP C(#Cc1ccccc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001222507307 1311144312 /nfs/dbraw/zinc/14/43/12/1311144312.db2.gz QUXYAFPVSAPLKO-GOTSBHOMSA-N 2 2 345.490 2.612 20 30 EFEDLP C(#Cc1ccccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001222507307 1311144313 /nfs/dbraw/zinc/14/43/13/1311144313.db2.gz QUXYAFPVSAPLKO-GOTSBHOMSA-N 2 2 345.490 2.612 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222937147 1311200966 /nfs/dbraw/zinc/20/09/66/1311200966.db2.gz QQJCLLIAENOMQG-QYZOEREBSA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222937147 1311200968 /nfs/dbraw/zinc/20/09/68/1311200968.db2.gz QQJCLLIAENOMQG-QYZOEREBSA-N 2 2 344.503 2.969 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001222968202 1311204051 /nfs/dbraw/zinc/20/40/51/1311204051.db2.gz JKNLPIJGJCDNRT-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001222968202 1311204053 /nfs/dbraw/zinc/20/40/53/1311204053.db2.gz JKNLPIJGJCDNRT-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221518 1311231416 /nfs/dbraw/zinc/23/14/16/1311231416.db2.gz BOJJEVWKZVSDOH-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221518 1311231419 /nfs/dbraw/zinc/23/14/19/1311231419.db2.gz BOJJEVWKZVSDOH-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001101590352 1311252233 /nfs/dbraw/zinc/25/22/33/1311252233.db2.gz MSOPHDJXSSOOJX-UHFFFAOYSA-N 2 2 346.519 2.783 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223577664 1311277790 /nfs/dbraw/zinc/27/77/90/1311277790.db2.gz DQTMJIDYDAKIJL-UHFFFAOYSA-N 2 2 338.883 2.507 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001223660730 1311288273 /nfs/dbraw/zinc/28/82/73/1311288273.db2.gz DODDOQABGZUQST-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306475 1311374109 /nfs/dbraw/zinc/37/41/09/1311374109.db2.gz KJHCUBRJAOVJJR-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306475 1311374112 /nfs/dbraw/zinc/37/41/12/1311374112.db2.gz KJHCUBRJAOVJJR-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C#CCCC[NH+]1CC2(C[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001276973328 1311393468 /nfs/dbraw/zinc/39/34/68/1311393468.db2.gz MVWPUDZTKHRLDI-SFHVURJKSA-N 2 2 334.423 2.546 20 30 EFEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCc2sccc2C1 ZINC001158908859 1311414086 /nfs/dbraw/zinc/41/40/86/1311414086.db2.gz AVSTYGCCZMYMMF-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCc2sccc2C1 ZINC001158908859 1311414089 /nfs/dbraw/zinc/41/40/89/1311414089.db2.gz AVSTYGCCZMYMMF-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001158908859 1311414091 /nfs/dbraw/zinc/41/40/91/1311414091.db2.gz AVSTYGCCZMYMMF-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC001158908859 1311414093 /nfs/dbraw/zinc/41/40/93/1311414093.db2.gz AVSTYGCCZMYMMF-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955212 1311423523 /nfs/dbraw/zinc/42/35/23/1311423523.db2.gz FGUSNNGRKGDTCP-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955212 1311423528 /nfs/dbraw/zinc/42/35/28/1311423528.db2.gz FGUSNNGRKGDTCP-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224797283 1311436531 /nfs/dbraw/zinc/43/65/31/1311436531.db2.gz WRJKGCVJJFJPOY-CVEARBPZSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224797283 1311436534 /nfs/dbraw/zinc/43/65/34/1311436534.db2.gz WRJKGCVJJFJPOY-CVEARBPZSA-N 2 2 332.492 2.771 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001277007641 1311452248 /nfs/dbraw/zinc/45/22/48/1311452248.db2.gz ZAFXTSRAYRYLNG-UHFFFAOYSA-N 2 2 339.418 2.518 20 30 EFEDLP C=CCCCCC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168481 1311485822 /nfs/dbraw/zinc/48/58/22/1311485822.db2.gz ZQFNUKSZNLGZAG-UHFFFAOYSA-N 2 2 332.492 2.537 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433612 1311513987 /nfs/dbraw/zinc/51/39/87/1311513987.db2.gz LQZGKRYUMVSXIT-JKSUJKDBSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433612 1311513988 /nfs/dbraw/zinc/51/39/88/1311513988.db2.gz LQZGKRYUMVSXIT-JKSUJKDBSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433612 1311513989 /nfs/dbraw/zinc/51/39/89/1311513989.db2.gz LQZGKRYUMVSXIT-JKSUJKDBSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433612 1311513990 /nfs/dbraw/zinc/51/39/90/1311513990.db2.gz LQZGKRYUMVSXIT-JKSUJKDBSA-N 2 2 339.911 2.584 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964658 1311619012 /nfs/dbraw/zinc/61/90/12/1311619012.db2.gz VPOFHKXVKIEFBP-INIZCTEOSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964658 1311619015 /nfs/dbraw/zinc/61/90/15/1311619015.db2.gz VPOFHKXVKIEFBP-INIZCTEOSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001160432183 1311708831 /nfs/dbraw/zinc/70/88/31/1311708831.db2.gz NULSMDIVNSPXCU-NRFANRHFSA-N 2 2 349.478 2.554 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019454 1311753402 /nfs/dbraw/zinc/75/34/02/1311753402.db2.gz PRKGLVHKJDLCRW-IAGOWNOFSA-N 2 2 332.492 2.910 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165215 1311770599 /nfs/dbraw/zinc/77/05/99/1311770599.db2.gz KTUWWRCPNKXXJU-BRWVUGGUSA-N 2 2 344.503 2.806 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165215 1311770602 /nfs/dbraw/zinc/77/06/02/1311770602.db2.gz KTUWWRCPNKXXJU-BRWVUGGUSA-N 2 2 344.503 2.806 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434590 1311887863 /nfs/dbraw/zinc/88/78/63/1311887863.db2.gz UTVSBPFWFKKZLV-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434590 1311887865 /nfs/dbraw/zinc/88/78/65/1311887865.db2.gz UTVSBPFWFKKZLV-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434590 1311887868 /nfs/dbraw/zinc/88/78/68/1311887868.db2.gz UTVSBPFWFKKZLV-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434590 1311887870 /nfs/dbraw/zinc/88/78/70/1311887870.db2.gz UTVSBPFWFKKZLV-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001228054058 1311895161 /nfs/dbraw/zinc/89/51/61/1311895161.db2.gz NJHXDDMXANNQJT-KRWDZBQOSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161723637 1311959844 /nfs/dbraw/zinc/95/98/44/1311959844.db2.gz UCURGAGLKQCJQS-UHFFFAOYSA-N 2 2 348.878 2.652 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161723637 1311959846 /nfs/dbraw/zinc/95/98/46/1311959846.db2.gz UCURGAGLKQCJQS-UHFFFAOYSA-N 2 2 348.878 2.652 20 30 EFEDLP C[NH+]1CCC(C#N)(Nc2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001162227284 1312071429 /nfs/dbraw/zinc/07/14/29/1312071429.db2.gz PBTJDWHLQCPXJS-UHFFFAOYSA-N 2 2 333.867 2.731 20 30 EFEDLP C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(C[NH+]4CCCCC4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229448715 1312098415 /nfs/dbraw/zinc/09/84/15/1312098415.db2.gz OENNVCLLSKJIAN-NCQGUEQISA-N 2 2 328.456 2.664 20 30 EFEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(C[NH+]4CCCCC4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229448715 1312098416 /nfs/dbraw/zinc/09/84/16/1312098416.db2.gz OENNVCLLSKJIAN-NCQGUEQISA-N 2 2 328.456 2.664 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229985522 1312166392 /nfs/dbraw/zinc/16/63/92/1312166392.db2.gz QACYHZFCBBMHSV-IBGZPJMESA-N 2 2 349.906 2.797 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230019367 1312172744 /nfs/dbraw/zinc/17/27/44/1312172744.db2.gz VZJKXPXVAXYTDM-CGTJXYLNSA-N 2 2 332.492 2.724 20 30 EFEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001162790770 1312176846 /nfs/dbraw/zinc/17/68/46/1312176846.db2.gz OUGWBOGCAQDXPF-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC001162909763 1312201578 /nfs/dbraw/zinc/20/15/78/1312201578.db2.gz DQGHTAOPTWDYEM-UHFFFAOYSA-N 2 2 336.439 2.788 20 30 EFEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001162952136 1312210529 /nfs/dbraw/zinc/21/05/29/1312210529.db2.gz GWBOLGRGCOWHRU-GOSISDBHSA-N 2 2 340.471 2.681 20 30 EFEDLP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163013397 1312226257 /nfs/dbraw/zinc/22/62/57/1312226257.db2.gz NLXRDEIWRHYTIQ-UHFFFAOYSA-N 2 2 340.471 2.510 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001231654658 1312541591 /nfs/dbraw/zinc/54/15/91/1312541591.db2.gz AWISZYNICQCSMS-OAQYLSRUSA-N 2 2 326.484 2.991 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001231654658 1312541594 /nfs/dbraw/zinc/54/15/94/1312541594.db2.gz AWISZYNICQCSMS-OAQYLSRUSA-N 2 2 326.484 2.991 20 30 EFEDLP C#Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001231654658 1312541598 /nfs/dbraw/zinc/54/15/98/1312541598.db2.gz AWISZYNICQCSMS-OAQYLSRUSA-N 2 2 326.484 2.991 20 30 EFEDLP C#Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001231654658 1312541599 /nfs/dbraw/zinc/54/15/99/1312541599.db2.gz AWISZYNICQCSMS-OAQYLSRUSA-N 2 2 326.484 2.991 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383162 1312618216 /nfs/dbraw/zinc/61/82/16/1312618216.db2.gz CVCQHZPLKVSOQM-UHFFFAOYSA-N 2 2 332.492 2.965 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383162 1312618218 /nfs/dbraw/zinc/61/82/18/1312618218.db2.gz CVCQHZPLKVSOQM-UHFFFAOYSA-N 2 2 332.492 2.965 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001245976781 1314558403 /nfs/dbraw/zinc/55/84/03/1314558403.db2.gz FPVIEOXNZUNJLX-YDZRNGNQSA-N 2 2 326.525 2.987 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024769 1314593107 /nfs/dbraw/zinc/59/31/07/1314593107.db2.gz RSTMTYDWGPQAII-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024769 1314593111 /nfs/dbraw/zinc/59/31/11/1314593111.db2.gz RSTMTYDWGPQAII-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037138 1314615812 /nfs/dbraw/zinc/61/58/12/1314615812.db2.gz VJQKHAVWLWVQRW-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037138 1314615818 /nfs/dbraw/zinc/61/58/18/1314615818.db2.gz VJQKHAVWLWVQRW-MOPGFXCFSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053083953 1314686670 /nfs/dbraw/zinc/68/66/70/1314686670.db2.gz NLPNVBLPPGUXAJ-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053083953 1314686675 /nfs/dbraw/zinc/68/66/75/1314686675.db2.gz NLPNVBLPPGUXAJ-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095206 1314706585 /nfs/dbraw/zinc/70/65/85/1314706585.db2.gz YUMBGFZZSLFSCB-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095206 1314706590 /nfs/dbraw/zinc/70/65/90/1314706590.db2.gz YUMBGFZZSLFSCB-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095205 1314706780 /nfs/dbraw/zinc/70/67/80/1314706780.db2.gz YUMBGFZZSLFSCB-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095205 1314706784 /nfs/dbraw/zinc/70/67/84/1314706784.db2.gz YUMBGFZZSLFSCB-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099769 1314715414 /nfs/dbraw/zinc/71/54/14/1314715414.db2.gz YTTRKWNDLSKOBR-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099769 1314715419 /nfs/dbraw/zinc/71/54/19/1314715419.db2.gz YTTRKWNDLSKOBR-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104202 1314724492 /nfs/dbraw/zinc/72/44/92/1314724492.db2.gz CSWXTWWNBBNDNG-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104202 1314724496 /nfs/dbraw/zinc/72/44/96/1314724496.db2.gz CSWXTWWNBBNDNG-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104231 1314725298 /nfs/dbraw/zinc/72/52/98/1314725298.db2.gz DBALICJDBKRDND-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104231 1314725301 /nfs/dbraw/zinc/72/53/01/1314725301.db2.gz DBALICJDBKRDND-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107131 1314731194 /nfs/dbraw/zinc/73/11/94/1314731194.db2.gz ZSMZLGGPVBUBDG-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107131 1314731195 /nfs/dbraw/zinc/73/11/95/1314731195.db2.gz ZSMZLGGPVBUBDG-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112622 1314734982 /nfs/dbraw/zinc/73/49/82/1314734982.db2.gz RRLNCFQBLSGRMF-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112622 1314734987 /nfs/dbraw/zinc/73/49/87/1314734987.db2.gz RRLNCFQBLSGRMF-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214946024 1314760977 /nfs/dbraw/zinc/76/09/77/1314760977.db2.gz ICAJOQRMBDZWOW-HLLBOEOZSA-N 2 2 332.492 2.718 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396753 1314949383 /nfs/dbraw/zinc/94/93/83/1314949383.db2.gz GABIVTJOSZOWIF-HZPDHXFCSA-N 2 2 332.492 2.870 20 30 EFEDLP Cc1nc(O[C@H]2CCC[NH2+]C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001218284381 1315174652 /nfs/dbraw/zinc/17/46/52/1315174652.db2.gz WCUNYXLVXKADAY-INIZCTEOSA-N 2 2 333.395 2.707 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001054042616 1315211064 /nfs/dbraw/zinc/21/10/64/1315211064.db2.gz DFHDVGOJULNRSM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001054042616 1315211066 /nfs/dbraw/zinc/21/10/66/1315211066.db2.gz DFHDVGOJULNRSM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001054042616 1315211069 /nfs/dbraw/zinc/21/10/69/1315211069.db2.gz DFHDVGOJULNRSM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001054042616 1315211070 /nfs/dbraw/zinc/21/10/70/1315211070.db2.gz DFHDVGOJULNRSM-UXHICEINSA-N 2 2 341.499 2.590 20 30 EFEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218951237 1315263511 /nfs/dbraw/zinc/26/35/11/1315263511.db2.gz BCJRRSNAOMUBMP-AWEZNQCLSA-N 2 2 348.328 2.788 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147404 1315369343 /nfs/dbraw/zinc/36/93/43/1315369343.db2.gz QKGCNFAQFOCVDX-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147404 1315369345 /nfs/dbraw/zinc/36/93/45/1315369345.db2.gz QKGCNFAQFOCVDX-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054147404 1315369348 /nfs/dbraw/zinc/36/93/48/1315369348.db2.gz QKGCNFAQFOCVDX-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001054147404 1315369350 /nfs/dbraw/zinc/36/93/50/1315369350.db2.gz QKGCNFAQFOCVDX-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054170855 1315404720 /nfs/dbraw/zinc/40/47/20/1315404720.db2.gz IBLYTWTWNRPNIX-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054170855 1315404723 /nfs/dbraw/zinc/40/47/23/1315404723.db2.gz IBLYTWTWNRPNIX-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204823 1315453074 /nfs/dbraw/zinc/45/30/74/1315453074.db2.gz FAMDQOUUFBCUGD-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054204823 1315453078 /nfs/dbraw/zinc/45/30/78/1315453078.db2.gz FAMDQOUUFBCUGD-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205444 1315453981 /nfs/dbraw/zinc/45/39/81/1315453981.db2.gz RIIJNGNQXGSKHS-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205444 1315453985 /nfs/dbraw/zinc/45/39/85/1315453985.db2.gz RIIJNGNQXGSKHS-IEBWSBKVSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039134366 1315518397 /nfs/dbraw/zinc/51/83/97/1315518397.db2.gz PUYFBNJNPXBIMJ-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039134366 1315518399 /nfs/dbraw/zinc/51/83/99/1315518399.db2.gz PUYFBNJNPXBIMJ-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039134366 1315518402 /nfs/dbraw/zinc/51/84/02/1315518402.db2.gz PUYFBNJNPXBIMJ-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039134366 1315518405 /nfs/dbraw/zinc/51/84/05/1315518405.db2.gz PUYFBNJNPXBIMJ-RCCFBDPRSA-N 2 2 342.487 2.650 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510697 1315541997 /nfs/dbraw/zinc/54/19/97/1315541997.db2.gz CJUUHPVUPWIFHA-IAGOWNOFSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510697 1315542001 /nfs/dbraw/zinc/54/20/01/1315542001.db2.gz CJUUHPVUPWIFHA-IAGOWNOFSA-N 2 2 332.492 2.845 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159900 1315555554 /nfs/dbraw/zinc/55/55/54/1315555554.db2.gz AZLWUCBCVBEMPL-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159900 1315555558 /nfs/dbraw/zinc/55/55/58/1315555558.db2.gz AZLWUCBCVBEMPL-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159900 1315555564 /nfs/dbraw/zinc/55/55/64/1315555564.db2.gz AZLWUCBCVBEMPL-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159900 1315555567 /nfs/dbraw/zinc/55/55/67/1315555567.db2.gz AZLWUCBCVBEMPL-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161368 1315558382 /nfs/dbraw/zinc/55/83/82/1315558382.db2.gz IQHDOXUHVGXRBR-MJGOQNOKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161368 1315558386 /nfs/dbraw/zinc/55/83/86/1315558386.db2.gz IQHDOXUHVGXRBR-MJGOQNOKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603291 1315560542 /nfs/dbraw/zinc/56/05/42/1315560542.db2.gz BJJNDLFQKBAFFC-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603291 1315560544 /nfs/dbraw/zinc/56/05/44/1315560544.db2.gz BJJNDLFQKBAFFC-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603291 1315560546 /nfs/dbraw/zinc/56/05/46/1315560546.db2.gz BJJNDLFQKBAFFC-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603291 1315560548 /nfs/dbraw/zinc/56/05/48/1315560548.db2.gz BJJNDLFQKBAFFC-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221635079 1315567735 /nfs/dbraw/zinc/56/77/35/1315567735.db2.gz XRQIBLUFNYHLPU-CEXWTWQISA-N 2 2 344.503 2.969 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221635079 1315567739 /nfs/dbraw/zinc/56/77/39/1315567739.db2.gz XRQIBLUFNYHLPU-CEXWTWQISA-N 2 2 344.503 2.969 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640002 1315568915 /nfs/dbraw/zinc/56/89/15/1315568915.db2.gz AUHHGUJDFHYRNE-KZNAEPCWSA-N 2 2 344.503 2.814 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640002 1315568919 /nfs/dbraw/zinc/56/89/19/1315568919.db2.gz AUHHGUJDFHYRNE-KZNAEPCWSA-N 2 2 344.503 2.814 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174122 1315578470 /nfs/dbraw/zinc/57/84/70/1315578470.db2.gz MZRSQXFKDMQKFJ-KRWDZBQOSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174122 1315578472 /nfs/dbraw/zinc/57/84/72/1315578472.db2.gz MZRSQXFKDMQKFJ-KRWDZBQOSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039187993 1315596143 /nfs/dbraw/zinc/59/61/43/1315596143.db2.gz IUEXNHQRYJSDGF-SFHVURJKSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039187993 1315596147 /nfs/dbraw/zinc/59/61/47/1315596147.db2.gz IUEXNHQRYJSDGF-SFHVURJKSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208607 1315622614 /nfs/dbraw/zinc/62/26/14/1315622614.db2.gz DXUGDKQTIIWHHL-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208607 1315622618 /nfs/dbraw/zinc/62/26/18/1315622618.db2.gz DXUGDKQTIIWHHL-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208607 1315622620 /nfs/dbraw/zinc/62/26/20/1315622620.db2.gz DXUGDKQTIIWHHL-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208607 1315622624 /nfs/dbraw/zinc/62/26/24/1315622624.db2.gz DXUGDKQTIIWHHL-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216971 1315635477 /nfs/dbraw/zinc/63/54/77/1315635477.db2.gz BLFMZADKVIGQRX-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001039216971 1315635481 /nfs/dbraw/zinc/63/54/81/1315635481.db2.gz BLFMZADKVIGQRX-AEFFLSMTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216684 1315635697 /nfs/dbraw/zinc/63/56/97/1315635697.db2.gz QOTPDOZFYGJJGG-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039216684 1315635702 /nfs/dbraw/zinc/63/57/02/1315635702.db2.gz QOTPDOZFYGJJGG-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222188 1315642606 /nfs/dbraw/zinc/64/26/06/1315642606.db2.gz CGPPZQNFFNSXBO-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222188 1315642608 /nfs/dbraw/zinc/64/26/08/1315642608.db2.gz CGPPZQNFFNSXBO-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249225 1315679875 /nfs/dbraw/zinc/67/98/75/1315679875.db2.gz HESFQRDSTMIQEP-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249225 1315679881 /nfs/dbraw/zinc/67/98/81/1315679881.db2.gz HESFQRDSTMIQEP-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249226 1315680269 /nfs/dbraw/zinc/68/02/69/1315680269.db2.gz HESFQRDSTMIQEP-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249226 1315680271 /nfs/dbraw/zinc/68/02/71/1315680271.db2.gz HESFQRDSTMIQEP-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251151 1315682145 /nfs/dbraw/zinc/68/21/45/1315682145.db2.gz SZHTZLAQTLQDNN-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251151 1315682149 /nfs/dbraw/zinc/68/21/49/1315682149.db2.gz SZHTZLAQTLQDNN-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255673 1315686892 /nfs/dbraw/zinc/68/68/92/1315686892.db2.gz FHPISVGMKSBDGA-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255673 1315686894 /nfs/dbraw/zinc/68/68/94/1315686894.db2.gz FHPISVGMKSBDGA-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039282094 1315700572 /nfs/dbraw/zinc/70/05/72/1315700572.db2.gz IVFKXENBJAFSTD-ALOPSCKCSA-N 2 2 330.476 2.614 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001039299543 1315707754 /nfs/dbraw/zinc/70/77/54/1315707754.db2.gz QPBFMFGGRYQLOB-NPYXIHBLSA-N 2 2 342.487 2.907 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039299941 1315708319 /nfs/dbraw/zinc/70/83/19/1315708319.db2.gz OHYBOTPAPMNZLB-CSNJMZFVSA-N 2 2 330.476 2.912 20 30 EFEDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC3)cn1 ZINC001254663320 1315737489 /nfs/dbraw/zinc/73/74/89/1315737489.db2.gz PRTBGLPBGXWTDZ-AEFFLSMTSA-N 2 2 327.476 2.543 20 30 EFEDLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC3)cn1 ZINC001254663320 1315737490 /nfs/dbraw/zinc/73/74/90/1315737490.db2.gz PRTBGLPBGXWTDZ-AEFFLSMTSA-N 2 2 327.476 2.543 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392262 1315759566 /nfs/dbraw/zinc/75/95/66/1315759566.db2.gz KPWAYZGPJPVYBL-MSOLQXFVSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392262 1315759568 /nfs/dbraw/zinc/75/95/68/1315759568.db2.gz KPWAYZGPJPVYBL-MSOLQXFVSA-N 2 2 344.503 2.958 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256537176 1315953755 /nfs/dbraw/zinc/95/37/55/1315953755.db2.gz LQYMVWOHCFKMNZ-JQHSSLGASA-N 2 2 333.476 2.549 20 30 EFEDLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)NO ZINC001256537176 1315953758 /nfs/dbraw/zinc/95/37/58/1315953758.db2.gz LQYMVWOHCFKMNZ-JQHSSLGASA-N 2 2 333.476 2.549 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256539844 1315954346 /nfs/dbraw/zinc/95/43/46/1315954346.db2.gz YKGCOASBIGEQKM-IDCNUPLLSA-N 2 2 333.476 2.549 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256539844 1315954348 /nfs/dbraw/zinc/95/43/48/1315954348.db2.gz YKGCOASBIGEQKM-IDCNUPLLSA-N 2 2 333.476 2.549 20 30 EFEDLP C=CCOC(=O)N1CCC2(C[NH+](C3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC001256569023 1315960844 /nfs/dbraw/zinc/96/08/44/1315960844.db2.gz OBGRVIOWPHLGLA-UHFFFAOYSA-N 2 2 349.519 2.970 20 30 EFEDLP N#CC1CCC(N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001256968498 1316015835 /nfs/dbraw/zinc/01/58/35/1316015835.db2.gz VJRYTMLBPHVCOU-ABHNRTSZSA-N 2 2 340.471 2.881 20 30 EFEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CN(Cc4ccccc4)C[C@@H]3[NH3+])C[C@H](C1)C2 ZINC001257887779 1316100457 /nfs/dbraw/zinc/10/04/57/1316100457.db2.gz JNLUPYYDOSNAFF-CADMSHOASA-N 2 2 325.500 2.923 20 30 EFEDLP C=CCN1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258137042 1316123596 /nfs/dbraw/zinc/12/35/96/1316123596.db2.gz BVXBECQSSNBIGV-NRFANRHFSA-N 2 2 327.516 2.934 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040252623 1316166575 /nfs/dbraw/zinc/16/65/75/1316166575.db2.gz GZINHKOCRIFMGI-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001040252623 1316166576 /nfs/dbraw/zinc/16/65/76/1316166576.db2.gz GZINHKOCRIFMGI-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001040252623 1316166577 /nfs/dbraw/zinc/16/65/77/1316166577.db2.gz GZINHKOCRIFMGI-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001040252623 1316166578 /nfs/dbraw/zinc/16/65/78/1316166578.db2.gz GZINHKOCRIFMGI-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040258460 1316169639 /nfs/dbraw/zinc/16/96/39/1316169639.db2.gz ORDAHBVTYBZQGK-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040258460 1316169640 /nfs/dbraw/zinc/16/96/40/1316169640.db2.gz ORDAHBVTYBZQGK-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260426 1316170829 /nfs/dbraw/zinc/17/08/29/1316170829.db2.gz DYMBBRVQPSNVHJ-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001040260426 1316170830 /nfs/dbraw/zinc/17/08/30/1316170830.db2.gz DYMBBRVQPSNVHJ-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293655 1316188943 /nfs/dbraw/zinc/18/89/43/1316188943.db2.gz YFYGXUICYPKBER-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293655 1316188945 /nfs/dbraw/zinc/18/89/45/1316188945.db2.gz YFYGXUICYPKBER-HXUWFJFHSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425028 1316256935 /nfs/dbraw/zinc/25/69/35/1316256935.db2.gz PKASFLSMZNEFKW-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425028 1316256937 /nfs/dbraw/zinc/25/69/37/1316256937.db2.gz PKASFLSMZNEFKW-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425029 1316256995 /nfs/dbraw/zinc/25/69/95/1316256995.db2.gz PKASFLSMZNEFKW-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425029 1316256997 /nfs/dbraw/zinc/25/69/97/1316256997.db2.gz PKASFLSMZNEFKW-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001318541877 1328635644 /nfs/dbraw/zinc/63/56/44/1328635644.db2.gz RYNWKVSBPNUIEM-ZDUSSCGKSA-N 2 2 347.378 2.853 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001040773445 1316371710 /nfs/dbraw/zinc/37/17/10/1316371710.db2.gz SCUSGXJIAQSJQL-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001266154644 1317106139 /nfs/dbraw/zinc/10/61/39/1317106139.db2.gz DBIVKCCKFPLQNL-AWEZNQCLSA-N 2 2 347.422 2.733 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001042296376 1317107577 /nfs/dbraw/zinc/10/75/77/1317107577.db2.gz AFQTYOLHUGIRQO-APWZRJJASA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001042296376 1317107581 /nfs/dbraw/zinc/10/75/81/1317107581.db2.gz AFQTYOLHUGIRQO-APWZRJJASA-N 2 2 336.439 2.595 20 30 EFEDLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001282412280 1318926857 /nfs/dbraw/zinc/92/68/57/1318926857.db2.gz MFISXEQLPSOFGQ-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001282412280 1318926866 /nfs/dbraw/zinc/92/68/66/1318926866.db2.gz MFISXEQLPSOFGQ-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001340390051 1332186279 /nfs/dbraw/zinc/18/62/79/1332186279.db2.gz LZZLGEGXTUMIHY-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340390051 1332186281 /nfs/dbraw/zinc/18/62/81/1332186281.db2.gz LZZLGEGXTUMIHY-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001340390051 1332186283 /nfs/dbraw/zinc/18/62/83/1332186283.db2.gz LZZLGEGXTUMIHY-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001340390051 1332186284 /nfs/dbraw/zinc/18/62/84/1332186284.db2.gz LZZLGEGXTUMIHY-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001340390048 1332186322 /nfs/dbraw/zinc/18/63/22/1332186322.db2.gz LZZLGEGXTUMIHY-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001340390048 1332186324 /nfs/dbraw/zinc/18/63/24/1332186324.db2.gz LZZLGEGXTUMIHY-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001340390048 1332186326 /nfs/dbraw/zinc/18/63/26/1332186326.db2.gz LZZLGEGXTUMIHY-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001340390048 1332186330 /nfs/dbraw/zinc/18/63/30/1332186330.db2.gz LZZLGEGXTUMIHY-BBWFWOEESA-N 2 2 346.523 2.540 20 30 EFEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001348973450 1332890908 /nfs/dbraw/zinc/89/09/08/1332890908.db2.gz QYUNQIOEYLIGBZ-QGZVFWFLSA-N 2 2 328.460 2.597 20 30 EFEDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001348973450 1332890911 /nfs/dbraw/zinc/89/09/11/1332890911.db2.gz QYUNQIOEYLIGBZ-QGZVFWFLSA-N 2 2 328.460 2.597 20 30 EFEDLP CC[N@H+](CC[NH+]=C(NCc1ccccc1)N(C)C)CCC(F)(F)F ZINC000849098441 1335551610 /nfs/dbraw/zinc/55/16/10/1335551610.db2.gz MKXVGVXSDKAEGF-UHFFFAOYSA-N 2 2 344.425 2.968 20 30 EFEDLP CC[N@@H+](CC[NH+]=C(NCc1ccccc1)N(C)C)CCC(F)(F)F ZINC000849098441 1335551612 /nfs/dbraw/zinc/55/16/12/1335551612.db2.gz MKXVGVXSDKAEGF-UHFFFAOYSA-N 2 2 344.425 2.968 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001367188009 1338491294 /nfs/dbraw/zinc/49/12/94/1338491294.db2.gz XXRPTJQGTUNCCC-KRWDZBQOSA-N 2 2 332.835 2.575 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001367817739 1339035881 /nfs/dbraw/zinc/03/58/81/1339035881.db2.gz COQUXCXDWRGHER-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001367817739 1339035883 /nfs/dbraw/zinc/03/58/83/1339035883.db2.gz COQUXCXDWRGHER-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001367817739 1339035885 /nfs/dbraw/zinc/03/58/85/1339035885.db2.gz COQUXCXDWRGHER-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001367817739 1339035886 /nfs/dbraw/zinc/03/58/86/1339035886.db2.gz COQUXCXDWRGHER-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001368517108 1339451963 /nfs/dbraw/zinc/45/19/63/1339451963.db2.gz CWMLXETVXCIMHB-SFHVURJKSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001368517108 1339451969 /nfs/dbraw/zinc/45/19/69/1339451969.db2.gz CWMLXETVXCIMHB-SFHVURJKSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001368517108 1339451975 /nfs/dbraw/zinc/45/19/75/1339451975.db2.gz CWMLXETVXCIMHB-SFHVURJKSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001368517108 1339451980 /nfs/dbraw/zinc/45/19/80/1339451980.db2.gz CWMLXETVXCIMHB-SFHVURJKSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001373385175 1341007788 /nfs/dbraw/zinc/00/77/88/1341007788.db2.gz UNIIBPALOCKHRN-MRXNPFEDSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001373385175 1341007790 /nfs/dbraw/zinc/00/77/90/1341007790.db2.gz UNIIBPALOCKHRN-MRXNPFEDSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001375082795 1342392140 /nfs/dbraw/zinc/39/21/40/1342392140.db2.gz SWOVJYZKPDCRBJ-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001375082795 1342392144 /nfs/dbraw/zinc/39/21/44/1342392144.db2.gz SWOVJYZKPDCRBJ-HNNXBMFYSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001393634168 1357030411 /nfs/dbraw/zinc/03/04/11/1357030411.db2.gz UDSSLGAKEVYZBI-UHFFFAOYSA-N 2 2 326.872 2.539 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001393634168 1357030418 /nfs/dbraw/zinc/03/04/18/1357030418.db2.gz UDSSLGAKEVYZBI-UHFFFAOYSA-N 2 2 326.872 2.539 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001376024873 1343268058 /nfs/dbraw/zinc/26/80/58/1343268058.db2.gz HPTWPVXXGKESAD-SFHVURJKSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001376592770 1343709731 /nfs/dbraw/zinc/70/97/31/1343709731.db2.gz QZMDOFDAVFAGFW-INIZCTEOSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001376592770 1343709732 /nfs/dbraw/zinc/70/97/32/1343709732.db2.gz QZMDOFDAVFAGFW-INIZCTEOSA-N 2 2 327.900 2.586 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001377664415 1344289134 /nfs/dbraw/zinc/28/91/34/1344289134.db2.gz RRRTVHUELCPXSJ-QGZVFWFLSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001377664415 1344289140 /nfs/dbraw/zinc/28/91/40/1344289140.db2.gz RRRTVHUELCPXSJ-QGZVFWFLSA-N 2 2 341.927 2.784 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001390134328 1353843990 /nfs/dbraw/zinc/84/39/90/1353843990.db2.gz BTQSMTXFXDUASU-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001390134328 1353843971 /nfs/dbraw/zinc/84/39/71/1353843971.db2.gz BTQSMTXFXDUASU-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001390134328 1353843975 /nfs/dbraw/zinc/84/39/75/1353843975.db2.gz BTQSMTXFXDUASU-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001390134328 1353843984 /nfs/dbraw/zinc/84/39/84/1353843984.db2.gz BTQSMTXFXDUASU-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC001394833617 1358134627 /nfs/dbraw/zinc/13/46/27/1358134627.db2.gz XXFICSSRUJDJTN-CQSZACIVSA-N 2 2 326.872 2.536 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001390635355 1354233145 /nfs/dbraw/zinc/23/31/45/1354233145.db2.gz HBLBIOLUSZKDGX-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001390635355 1354233150 /nfs/dbraw/zinc/23/31/50/1354233150.db2.gz HBLBIOLUSZKDGX-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001390635355 1354233152 /nfs/dbraw/zinc/23/31/52/1354233152.db2.gz HBLBIOLUSZKDGX-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001390635355 1354233156 /nfs/dbraw/zinc/23/31/56/1354233156.db2.gz HBLBIOLUSZKDGX-SFHVURJKSA-N 2 2 349.906 2.794 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001391051852 1354738187 /nfs/dbraw/zinc/73/81/87/1354738187.db2.gz IHXIOUSHXSSOQC-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001391051852 1354738190 /nfs/dbraw/zinc/73/81/90/1354738190.db2.gz IHXIOUSHXSSOQC-OAHLLOKOSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001398241271 1360409830 /nfs/dbraw/zinc/40/98/30/1360409830.db2.gz XFXIHBXZRFGEKM-MRXNPFEDSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001398241271 1360409832 /nfs/dbraw/zinc/40/98/32/1360409832.db2.gz XFXIHBXZRFGEKM-MRXNPFEDSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398241271 1360409833 /nfs/dbraw/zinc/40/98/33/1360409833.db2.gz XFXIHBXZRFGEKM-MRXNPFEDSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398241271 1360409836 /nfs/dbraw/zinc/40/98/36/1360409836.db2.gz XFXIHBXZRFGEKM-MRXNPFEDSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001399292628 1361133314 /nfs/dbraw/zinc/13/33/14/1361133314.db2.gz QIGGMBUTGMORSA-MRXNPFEDSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001399292628 1361133315 /nfs/dbraw/zinc/13/33/15/1361133315.db2.gz QIGGMBUTGMORSA-MRXNPFEDSA-N 2 2 338.883 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001400014213 1361666089 /nfs/dbraw/zinc/66/60/89/1361666089.db2.gz WXXQEXNBMKVJEB-QGZVFWFLSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001400014213 1361666090 /nfs/dbraw/zinc/66/60/90/1361666090.db2.gz WXXQEXNBMKVJEB-QGZVFWFLSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001400014213 1361666091 /nfs/dbraw/zinc/66/60/91/1361666091.db2.gz WXXQEXNBMKVJEB-QGZVFWFLSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001400014213 1361666094 /nfs/dbraw/zinc/66/60/94/1361666094.db2.gz WXXQEXNBMKVJEB-QGZVFWFLSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001400149788 1361785312 /nfs/dbraw/zinc/78/53/12/1361785312.db2.gz JLWYLBKQIOUZLT-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001400149788 1361785313 /nfs/dbraw/zinc/78/53/13/1361785313.db2.gz JLWYLBKQIOUZLT-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001400149788 1361785317 /nfs/dbraw/zinc/78/53/17/1361785317.db2.gz JLWYLBKQIOUZLT-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400149788 1361785321 /nfs/dbraw/zinc/78/53/21/1361785321.db2.gz JLWYLBKQIOUZLT-INIZCTEOSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001402819275 1364066899 /nfs/dbraw/zinc/06/68/99/1364066899.db2.gz XNZZQGROMJYEHU-AEFFLSMTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001402819275 1364066902 /nfs/dbraw/zinc/06/69/02/1364066902.db2.gz XNZZQGROMJYEHU-AEFFLSMTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001402819275 1364066905 /nfs/dbraw/zinc/06/69/05/1364066905.db2.gz XNZZQGROMJYEHU-AEFFLSMTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001402819275 1364066909 /nfs/dbraw/zinc/06/69/09/1364066909.db2.gz XNZZQGROMJYEHU-AEFFLSMTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001438434262 1388596531 /nfs/dbraw/zinc/59/65/31/1388596531.db2.gz XDPDMGHJVBMOPC-YVEFUNNKSA-N 2 2 338.883 2.668 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001438514787 1388649861 /nfs/dbraw/zinc/64/98/61/1388649861.db2.gz YZSMAJRDMDMUTG-CYBMUJFWSA-N 2 2 332.835 2.580 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001438777775 1388806970 /nfs/dbraw/zinc/80/69/70/1388806970.db2.gz XTOJDOYJNZPGMK-HOTGVXAUSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001440942943 1390029693 /nfs/dbraw/zinc/02/96/93/1390029693.db2.gz JKJMBSSDNMCJJP-OAHLLOKOSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001440942943 1390029699 /nfs/dbraw/zinc/02/96/99/1390029699.db2.gz JKJMBSSDNMCJJP-OAHLLOKOSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001448277261 1392076244 /nfs/dbraw/zinc/07/62/44/1392076244.db2.gz JDYGJLPJZWNYPO-KRWDZBQOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001448277261 1392076250 /nfs/dbraw/zinc/07/62/50/1392076250.db2.gz JDYGJLPJZWNYPO-KRWDZBQOSA-N 2 2 341.927 2.832 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480616399 1398250126 /nfs/dbraw/zinc/25/01/26/1398250126.db2.gz NSBHYVRFPUJFPW-KRWDZBQOSA-N 2 2 332.492 2.864 20 30 EFEDLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]Cc1ccccc1C#N ZINC001495690374 1400168902 /nfs/dbraw/zinc/16/89/02/1400168902.db2.gz CVWGEGYOQDFWJS-CQSZACIVSA-N 2 2 347.422 2.590 20 30 EFEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496091318 1400465844 /nfs/dbraw/zinc/46/58/44/1400465844.db2.gz ATLDTZOLJLVRHP-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001498353347 1402032231 /nfs/dbraw/zinc/03/22/31/1402032231.db2.gz UQUFNXSPHBSZFB-HNNXBMFYSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001498353347 1402032234 /nfs/dbraw/zinc/03/22/34/1402032234.db2.gz UQUFNXSPHBSZFB-HNNXBMFYSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001505928448 1405238664 /nfs/dbraw/zinc/23/86/64/1405238664.db2.gz FZHODDYKNUAMFC-LBPRGKRZSA-N 2 2 329.897 2.612 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001505928448 1405238665 /nfs/dbraw/zinc/23/86/65/1405238665.db2.gz FZHODDYKNUAMFC-LBPRGKRZSA-N 2 2 329.897 2.612 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156486 712945499 /nfs/dbraw/zinc/94/54/99/712945499.db2.gz UFLPHUAZDVPYAR-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156486 712945502 /nfs/dbraw/zinc/94/55/02/712945502.db2.gz UFLPHUAZDVPYAR-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156486 712945506 /nfs/dbraw/zinc/94/55/06/712945506.db2.gz UFLPHUAZDVPYAR-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156486 712945508 /nfs/dbraw/zinc/94/55/08/712945508.db2.gz UFLPHUAZDVPYAR-IRXDYDNUSA-N 2 2 341.927 2.974 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163988 713647828 /nfs/dbraw/zinc/64/78/28/713647828.db2.gz GSXDBPCMLJUWAP-IAGOWNOFSA-N 2 2 342.487 2.576 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163988 713647831 /nfs/dbraw/zinc/64/78/31/713647831.db2.gz GSXDBPCMLJUWAP-IAGOWNOFSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970427331 713707985 /nfs/dbraw/zinc/70/79/85/713707985.db2.gz DWZRDEQOESFAJP-OAHLLOKOSA-N 2 2 349.906 2.593 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633713 714210528 /nfs/dbraw/zinc/21/05/28/714210528.db2.gz SLPYSHROOPGBOU-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633713 714210530 /nfs/dbraw/zinc/21/05/30/714210530.db2.gz SLPYSHROOPGBOU-SJORKVTESA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450189 714639607 /nfs/dbraw/zinc/63/96/07/714639607.db2.gz PSFFOQWGYBBXLT-OCCSQVGLSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450189 714639609 /nfs/dbraw/zinc/63/96/09/714639609.db2.gz PSFFOQWGYBBXLT-OCCSQVGLSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971832540 715064143 /nfs/dbraw/zinc/06/41/43/715064143.db2.gz JVRYMBSAFJRJMV-OAHLLOKOSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000971832540 715064145 /nfs/dbraw/zinc/06/41/45/715064145.db2.gz JVRYMBSAFJRJMV-OAHLLOKOSA-N 2 2 332.835 2.542 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024615451 718028121 /nfs/dbraw/zinc/02/81/21/718028121.db2.gz SQCDFKGZVQLPJW-SJORKVTESA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615451 718028122 /nfs/dbraw/zinc/02/81/22/718028122.db2.gz SQCDFKGZVQLPJW-SJORKVTESA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615451 718028124 /nfs/dbraw/zinc/02/81/24/718028124.db2.gz SQCDFKGZVQLPJW-SJORKVTESA-N 2 2 341.927 2.832 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615451 718028126 /nfs/dbraw/zinc/02/81/26/718028126.db2.gz SQCDFKGZVQLPJW-SJORKVTESA-N 2 2 341.927 2.832 20 30 EFEDLP C=CCCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000900000629 715314424 /nfs/dbraw/zinc/31/44/24/715314424.db2.gz QBGUXNAGSDSBOY-KRWDZBQOSA-N 2 2 342.443 2.925 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112261 715527916 /nfs/dbraw/zinc/52/79/16/715527916.db2.gz RNBDMCSYLBGWAB-HOTGVXAUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112261 715527918 /nfs/dbraw/zinc/52/79/18/715527918.db2.gz RNBDMCSYLBGWAB-HOTGVXAUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027638165 716274531 /nfs/dbraw/zinc/27/45/31/716274531.db2.gz UVLUESZSPOFYRK-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027638165 716274534 /nfs/dbraw/zinc/27/45/34/716274534.db2.gz UVLUESZSPOFYRK-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445287 716473114 /nfs/dbraw/zinc/47/31/14/716473114.db2.gz LJFSWOGQFSQZQT-CYBMUJFWSA-N 2 2 332.835 2.757 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445287 716473115 /nfs/dbraw/zinc/47/31/15/716473115.db2.gz LJFSWOGQFSQZQT-CYBMUJFWSA-N 2 2 332.835 2.757 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001027691564 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HJGQQFBKSMLIIM-UHFFFAOYSA-N 2 2 331.298 2.719 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315042 728129497 /nfs/dbraw/zinc/12/94/97/728129497.db2.gz MEMBFCQNGKMVJW-YOEHRIQHSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315042 728129498 /nfs/dbraw/zinc/12/94/98/728129498.db2.gz MEMBFCQNGKMVJW-YOEHRIQHSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315041 728129696 /nfs/dbraw/zinc/12/96/96/728129696.db2.gz MEMBFCQNGKMVJW-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315041 728129699 /nfs/dbraw/zinc/12/96/99/728129699.db2.gz MEMBFCQNGKMVJW-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991630562 728182897 /nfs/dbraw/zinc/18/28/97/728182897.db2.gz ZQBPHQAIKSJEPP-WMZOPIPTSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991630562 728182901 /nfs/dbraw/zinc/18/29/01/728182901.db2.gz ZQBPHQAIKSJEPP-WMZOPIPTSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183679 728347766 /nfs/dbraw/zinc/34/77/66/728347766.db2.gz JYROHJLXVBBKJH-HOCLYGCPSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183679 728347769 /nfs/dbraw/zinc/34/77/69/728347769.db2.gz JYROHJLXVBBKJH-HOCLYGCPSA-N 2 2 326.444 2.969 20 30 EFEDLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001571393072 1086781909 /nfs/dbraw/zinc/78/19/09/1086781909.db2.gz ISQNMQRGEGNWCA-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C#CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)C1CC[NH2+]CC1 ZINC001574673070 1088049712 /nfs/dbraw/zinc/04/97/12/1088049712.db2.gz HIXWXFFVVXKNSO-UHFFFAOYSA-N 2 2 331.485 2.648 20 30 EFEDLP C#CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)C1CC[NH2+]CC1 ZINC001574673070 1088049728 /nfs/dbraw/zinc/04/97/28/1088049728.db2.gz HIXWXFFVVXKNSO-UHFFFAOYSA-N 2 2 331.485 2.648 20 30 EFEDLP CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)ccc1OC ZINC001576931491 1089533591 /nfs/dbraw/zinc/53/35/91/1089533591.db2.gz LFCPNSXUZHHJRX-STQMWFEESA-N 2 2 345.365 2.745 20 30 EFEDLP N#CC1(CCCC[N@H+](Cc2ccccc2)CC2(O)C[NH2+]C2)CCC1 ZINC001580038257 1090751218 /nfs/dbraw/zinc/75/12/18/1090751218.db2.gz INFWVODMNOEMGD-UHFFFAOYSA-N 2 2 327.472 2.687 20 30 EFEDLP N#CC1(CCCC[N@@H+](Cc2ccccc2)CC2(O)C[NH2+]C2)CCC1 ZINC001580038257 1090751223 /nfs/dbraw/zinc/75/12/23/1090751223.db2.gz INFWVODMNOEMGD-UHFFFAOYSA-N 2 2 327.472 2.687 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440366 1093243576 /nfs/dbraw/zinc/24/35/76/1093243576.db2.gz BCRCDJOSYVQEHL-KZNAEPCWSA-N 2 2 346.519 2.782 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087316933 1095303945 /nfs/dbraw/zinc/30/39/45/1095303945.db2.gz 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EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593444 1100568374 /nfs/dbraw/zinc/56/83/74/1100568374.db2.gz HDRTXATYWIEUQN-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593444 1100568381 /nfs/dbraw/zinc/56/83/81/1100568381.db2.gz HDRTXATYWIEUQN-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593444 1100568386 /nfs/dbraw/zinc/56/83/86/1100568386.db2.gz HDRTXATYWIEUQN-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593444 1100568394 /nfs/dbraw/zinc/56/83/94/1100568394.db2.gz HDRTXATYWIEUQN-XHSDSOJGSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087658424 1100634414 /nfs/dbraw/zinc/63/44/14/1100634414.db2.gz CMYRYKNLIXRNAQ-JKSUJKDBSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087658424 1100634416 /nfs/dbraw/zinc/63/44/16/1100634416.db2.gz CMYRYKNLIXRNAQ-JKSUJKDBSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039595 1101232026 /nfs/dbraw/zinc/23/20/26/1101232026.db2.gz XRVBKEACHGXEPH-SJORKVTESA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039595 1101232031 /nfs/dbraw/zinc/23/20/31/1101232031.db2.gz XRVBKEACHGXEPH-SJORKVTESA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345868 1101966493 /nfs/dbraw/zinc/96/64/93/1101966493.db2.gz XVUISDZIYSYMRE-SJLPKXTDSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167168041 1101975964 /nfs/dbraw/zinc/97/59/64/1101975964.db2.gz XCUBKIGAMXVWAM-OAHLLOKOSA-N 2 2 330.476 2.672 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001088334999 1102990556 /nfs/dbraw/zinc/99/05/56/1102990556.db2.gz UFZXLVJZSTZNLY-KRWDZBQOSA-N 2 2 332.492 2.864 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001088335325 1102991044 /nfs/dbraw/zinc/99/10/44/1102991044.db2.gz ALYJSNYGHCUKCK-KRWDZBQOSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001088346469 1103068337 /nfs/dbraw/zinc/06/83/37/1103068337.db2.gz PWANKSSXYUQPCZ-INIZCTEOSA-N 2 2 326.444 2.885 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065781 1103384928 /nfs/dbraw/zinc/38/49/28/1103384928.db2.gz GORCJYYWPREIPJ-IIDMSEBBSA-N 2 2 348.878 2.626 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991065781 1103384941 /nfs/dbraw/zinc/38/49/41/1103384941.db2.gz GORCJYYWPREIPJ-IIDMSEBBSA-N 2 2 348.878 2.626 20 30 EFEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001088398448 1103421116 /nfs/dbraw/zinc/42/11/16/1103421116.db2.gz IVHMZICVMPMDNP-QGZVFWFLSA-N 2 2 340.471 2.732 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001088413629 1103493983 /nfs/dbraw/zinc/49/39/83/1103493983.db2.gz KWBDUKDXZBCPQH-AWEZNQCLSA-N 2 2 338.883 2.801 20 30 EFEDLP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669833590 1105531497 /nfs/dbraw/zinc/53/14/97/1105531497.db2.gz VZXPPMDTTSORDB-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669833590 1105531500 /nfs/dbraw/zinc/53/15/00/1105531500.db2.gz VZXPPMDTTSORDB-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105541703 1105898541 /nfs/dbraw/zinc/89/85/41/1105898541.db2.gz IHKUTFMKBNVBGY-SFHVURJKSA-N 2 2 342.487 2.507 20 30 EFEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105541703 1105898546 /nfs/dbraw/zinc/89/85/46/1105898546.db2.gz IHKUTFMKBNVBGY-SFHVURJKSA-N 2 2 342.487 2.507 20 30 EFEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566745 1105944045 /nfs/dbraw/zinc/94/40/45/1105944045.db2.gz UISNLJXUVWPQEC-MSOLQXFVSA-N 2 2 342.487 2.608 20 30 EFEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566748 1105944326 /nfs/dbraw/zinc/94/43/26/1105944326.db2.gz UISNLJXUVWPQEC-ZWKOTPCHSA-N 2 2 342.487 2.608 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566921 1105945165 /nfs/dbraw/zinc/94/51/65/1105945165.db2.gz ZFFIBOJLWONNBQ-KRWDZBQOSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105568040 1105946877 /nfs/dbraw/zinc/94/68/77/1105946877.db2.gz DLILIIGUQBYNCW-WMZOPIPTSA-N 2 2 344.503 2.915 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105568040 1105946882 /nfs/dbraw/zinc/94/68/82/1105946882.db2.gz DLILIIGUQBYNCW-WMZOPIPTSA-N 2 2 344.503 2.915 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088897316 1106950882 /nfs/dbraw/zinc/95/08/82/1106950882.db2.gz DOMANOGBQHQCQO-PMPSAXMXSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088897316 1106950889 /nfs/dbraw/zinc/95/08/89/1106950889.db2.gz DOMANOGBQHQCQO-PMPSAXMXSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897316 1106950899 /nfs/dbraw/zinc/95/08/99/1106950899.db2.gz DOMANOGBQHQCQO-PMPSAXMXSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088897316 1106950910 /nfs/dbraw/zinc/95/09/10/1106950910.db2.gz DOMANOGBQHQCQO-PMPSAXMXSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089056842 1107382594 /nfs/dbraw/zinc/38/25/94/1107382594.db2.gz XHIFEAYAXBILRF-PBHICJAKSA-N 2 2 335.879 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089056842 1107382607 /nfs/dbraw/zinc/38/26/07/1107382607.db2.gz XHIFEAYAXBILRF-PBHICJAKSA-N 2 2 335.879 2.693 20 30 EFEDLP CCCCCCC[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272478342 1108451027 /nfs/dbraw/zinc/45/10/27/1108451027.db2.gz IMUOWWGVUBKLAA-LJQANCHMSA-N 2 2 332.492 2.920 20 30 EFEDLP CCCCCCC[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272478342 1108451033 /nfs/dbraw/zinc/45/10/33/1108451033.db2.gz IMUOWWGVUBKLAA-LJQANCHMSA-N 2 2 332.492 2.920 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990707609 1108822581 /nfs/dbraw/zinc/82/25/81/1108822581.db2.gz CRQZDHDLNHVDJZ-YLJYHZDGSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC000990707609 1108822586 /nfs/dbraw/zinc/82/25/86/1108822586.db2.gz CRQZDHDLNHVDJZ-YLJYHZDGSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604094 1109943901 /nfs/dbraw/zinc/94/39/01/1109943901.db2.gz LQIBRXSZWROOOO-ZWKOTPCHSA-N 2 2 347.890 2.647 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318784 1111405680 /nfs/dbraw/zinc/40/56/80/1111405680.db2.gz MVJAZEGYMHRQEC-GDBMZVCRSA-N 2 2 326.444 2.827 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089421331 1112101751 /nfs/dbraw/zinc/10/17/51/1112101751.db2.gz SUHIMSQGMMVLMI-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089421331 1112101753 /nfs/dbraw/zinc/10/17/53/1112101753.db2.gz SUHIMSQGMMVLMI-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441502 1112149289 /nfs/dbraw/zinc/14/92/89/1112149289.db2.gz HSJYXGIISHQMOJ-MRXNPFEDSA-N 2 2 338.455 2.578 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441502 1112149291 /nfs/dbraw/zinc/14/92/91/1112149291.db2.gz HSJYXGIISHQMOJ-MRXNPFEDSA-N 2 2 338.455 2.578 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488726 1112221002 /nfs/dbraw/zinc/22/10/02/1112221002.db2.gz XGKWLWDYUDGHFI-CABCVRRESA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488726 1112221005 /nfs/dbraw/zinc/22/10/05/1112221005.db2.gz XGKWLWDYUDGHFI-CABCVRRESA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488728 1112221530 /nfs/dbraw/zinc/22/15/30/1112221530.db2.gz XGKWLWDYUDGHFI-GJZGRUSLSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488728 1112221531 /nfs/dbraw/zinc/22/15/31/1112221531.db2.gz XGKWLWDYUDGHFI-GJZGRUSLSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548758 1112294677 /nfs/dbraw/zinc/29/46/77/1112294677.db2.gz QDDLYRCQEDDLMJ-INIZCTEOSA-N 2 2 332.492 2.834 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089548758 1112294678 /nfs/dbraw/zinc/29/46/78/1112294678.db2.gz QDDLYRCQEDDLMJ-INIZCTEOSA-N 2 2 332.492 2.834 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652301 1112511515 /nfs/dbraw/zinc/51/15/15/1112511515.db2.gz BRTHHLBSGDDYFE-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652301 1112511518 /nfs/dbraw/zinc/51/15/18/1112511518.db2.gz BRTHHLBSGDDYFE-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652301 1112511520 /nfs/dbraw/zinc/51/15/20/1112511520.db2.gz BRTHHLBSGDDYFE-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652301 1112511523 /nfs/dbraw/zinc/51/15/23/1112511523.db2.gz BRTHHLBSGDDYFE-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)C ZINC001089654420 1112531261 /nfs/dbraw/zinc/53/12/61/1112531261.db2.gz ZBSOESWVXGMPSX-MOPGFXCFSA-N 2 2 347.547 2.737 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)C ZINC001089654420 1112531263 /nfs/dbraw/zinc/53/12/63/1112531263.db2.gz ZBSOESWVXGMPSX-MOPGFXCFSA-N 2 2 347.547 2.737 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001089654420 1112531266 /nfs/dbraw/zinc/53/12/66/1112531266.db2.gz ZBSOESWVXGMPSX-MOPGFXCFSA-N 2 2 347.547 2.737 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001089654420 1112531270 /nfs/dbraw/zinc/53/12/70/1112531270.db2.gz ZBSOESWVXGMPSX-MOPGFXCFSA-N 2 2 347.547 2.737 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657289 1112577969 /nfs/dbraw/zinc/57/79/69/1112577969.db2.gz CIRUUGLLIJDVDC-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657289 1112577972 /nfs/dbraw/zinc/57/79/72/1112577972.db2.gz CIRUUGLLIJDVDC-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089660631 1112594581 /nfs/dbraw/zinc/59/45/81/1112594581.db2.gz MMMNBWABWHJNFI-OAHLLOKOSA-N 2 2 348.491 2.533 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089660631 1112594585 /nfs/dbraw/zinc/59/45/85/1112594585.db2.gz MMMNBWABWHJNFI-OAHLLOKOSA-N 2 2 348.491 2.533 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658507 1112598217 /nfs/dbraw/zinc/59/82/17/1112598217.db2.gz LGVISMHYHNTJTM-OAHLLOKOSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658507 1112598222 /nfs/dbraw/zinc/59/82/22/1112598222.db2.gz LGVISMHYHNTJTM-OAHLLOKOSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001089660926 1112608750 /nfs/dbraw/zinc/60/87/50/1112608750.db2.gz RVPCBUKHUMXBJA-OAHLLOKOSA-N 2 2 348.491 2.533 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272699159 1118229174 /nfs/dbraw/zinc/22/91/74/1118229174.db2.gz BNFFAEJAKSVGOK-LJQANCHMSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272699159 1118229179 /nfs/dbraw/zinc/22/91/79/1118229179.db2.gz BNFFAEJAKSVGOK-LJQANCHMSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001272700136 1118443212 /nfs/dbraw/zinc/44/32/12/1118443212.db2.gz SGHXRFUYPQFAFM-UHFFFAOYSA-N 2 2 344.503 2.981 20 30 EFEDLP C=CCCCCCC[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272702645 1118679824 /nfs/dbraw/zinc/67/98/24/1118679824.db2.gz UBWFHOHGOUZKMH-FQEVSTJZSA-N 2 2 344.503 2.981 20 30 EFEDLP C=CCCCCCC[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272702645 1118679826 /nfs/dbraw/zinc/67/98/26/1118679826.db2.gz UBWFHOHGOUZKMH-FQEVSTJZSA-N 2 2 344.503 2.981 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538445 1118940121 /nfs/dbraw/zinc/94/01/21/1118940121.db2.gz PULABLBATWSBHN-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942538445 1118940125 /nfs/dbraw/zinc/94/01/25/1118940125.db2.gz PULABLBATWSBHN-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582338 1118990963 /nfs/dbraw/zinc/99/09/63/1118990963.db2.gz XVOZDGMIWFTXLF-WFASDCNBSA-N 2 2 339.867 2.534 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582338 1118990966 /nfs/dbraw/zinc/99/09/66/1118990966.db2.gz XVOZDGMIWFTXLF-WFASDCNBSA-N 2 2 339.867 2.534 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875268 1119765962 /nfs/dbraw/zinc/76/59/62/1119765962.db2.gz CVPYFFILRXAFIV-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875268 1119765965 /nfs/dbraw/zinc/76/59/65/1119765965.db2.gz CVPYFFILRXAFIV-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875265 1119766426 /nfs/dbraw/zinc/76/64/26/1119766426.db2.gz CVPYFFILRXAFIV-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943875265 1119766430 /nfs/dbraw/zinc/76/64/30/1119766430.db2.gz CVPYFFILRXAFIV-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092789 1120569114 /nfs/dbraw/zinc/56/91/14/1120569114.db2.gz QYTXJJXXIARUTE-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092789 1120569118 /nfs/dbraw/zinc/56/91/18/1120569118.db2.gz QYTXJJXXIARUTE-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092789 1120569123 /nfs/dbraw/zinc/56/91/23/1120569123.db2.gz QYTXJJXXIARUTE-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092789 1120569124 /nfs/dbraw/zinc/56/91/24/1120569124.db2.gz QYTXJJXXIARUTE-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092796 1120569633 /nfs/dbraw/zinc/56/96/33/1120569633.db2.gz QYTXJJXXIARUTE-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092796 1120569637 /nfs/dbraw/zinc/56/96/37/1120569637.db2.gz QYTXJJXXIARUTE-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092796 1120569641 /nfs/dbraw/zinc/56/96/41/1120569641.db2.gz QYTXJJXXIARUTE-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945092796 1120569645 /nfs/dbraw/zinc/56/96/45/1120569645.db2.gz QYTXJJXXIARUTE-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000181425560 234181756 /nfs/dbraw/zinc/18/17/56/234181756.db2.gz GPBUSDWJUQWSAS-UHFFFAOYSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CSCCS3)CC2)cc1 ZINC000181874666 234363275 /nfs/dbraw/zinc/36/32/75/234363275.db2.gz YYBZRVGIMLURSV-SFHVURJKSA-N 2 2 347.553 2.961 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3CCO)CC2)cc1 ZINC000188017525 236386676 /nfs/dbraw/zinc/38/66/76/236386676.db2.gz HLDFOTAVNKCKIC-AZUAARDMSA-N 2 2 327.472 2.663 20 30 EFEDLP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1sc(C)nc1C ZINC000262389068 240349733 /nfs/dbraw/zinc/34/97/33/240349733.db2.gz LSYBYUPKVKFVKH-UHFFFAOYSA-N 2 2 346.504 2.548 20 30 EFEDLP C[NH+]=C(NCc1ccc(C)s1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261945120 240332727 /nfs/dbraw/zinc/33/27/27/240332727.db2.gz FQPFTWHPVKZQLV-XJKSGUPXSA-N 2 2 331.489 2.912 20 30 EFEDLP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262003481 240339870 /nfs/dbraw/zinc/33/98/70/240339870.db2.gz UYYNLCBNKPWTKB-WFASDCNBSA-N 2 2 346.504 2.615 20 30 EFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCc2ccccc21 ZINC000262947630 240374103 /nfs/dbraw/zinc/37/41/03/240374103.db2.gz BAAMFHHYEWNWSZ-UHFFFAOYSA-N 2 2 346.438 2.714 20 30 EFEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328800881 241244260 /nfs/dbraw/zinc/24/42/60/241244260.db2.gz YVBYYDFQTIKCJM-HZPDHXFCSA-N 2 2 347.507 2.634 20 30 EFEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328800881 241244266 /nfs/dbraw/zinc/24/42/66/241244266.db2.gz YVBYYDFQTIKCJM-HZPDHXFCSA-N 2 2 347.507 2.634 20 30 EFEDLP O=C(NCc1[nH+]ccn1CC(F)(F)F)C1CC[NH+](C2CC2)CC1 ZINC000328789396 241244980 /nfs/dbraw/zinc/24/49/80/241244980.db2.gz YFJQVXOMMKOZNO-UHFFFAOYSA-N 2 2 330.354 2.776 20 30 EFEDLP Cc1cn2cc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)ccc2[nH+]1 ZINC000329474013 241378536 /nfs/dbraw/zinc/37/85/36/241378536.db2.gz OTCHPRMCXWITHH-GDBMZVCRSA-N 2 2 327.432 2.747 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329233968 241332065 /nfs/dbraw/zinc/33/20/65/241332065.db2.gz MKFBTLHHFOKYQA-GOEBONIOSA-N 2 2 343.431 2.562 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329233968 241332072 /nfs/dbraw/zinc/33/20/72/241332072.db2.gz MKFBTLHHFOKYQA-GOEBONIOSA-N 2 2 343.431 2.562 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OC ZINC000362967323 242269964 /nfs/dbraw/zinc/26/99/64/242269964.db2.gz PUADLYAIFXRJIE-ZWKOTPCHSA-N 2 2 346.471 2.603 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1OC ZINC000362967323 242269968 /nfs/dbraw/zinc/26/99/68/242269968.db2.gz PUADLYAIFXRJIE-ZWKOTPCHSA-N 2 2 346.471 2.603 20 30 EFEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922620 284347937 /nfs/dbraw/zinc/34/79/37/284347937.db2.gz VCVDPALXKXHUGA-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922620 284347941 /nfs/dbraw/zinc/34/79/41/284347941.db2.gz VCVDPALXKXHUGA-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922620 284347945 /nfs/dbraw/zinc/34/79/45/284347945.db2.gz VCVDPALXKXHUGA-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173922620 284347946 /nfs/dbraw/zinc/34/79/46/284347946.db2.gz VCVDPALXKXHUGA-ROUUACIJSA-N 2 2 342.487 2.595 20 30 EFEDLP Cc1cc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425237988 247010452 /nfs/dbraw/zinc/01/04/52/247010452.db2.gz UDUDKAJTHZQHFC-IAGOWNOFSA-N 2 2 342.487 2.977 20 30 EFEDLP Cn1cc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C#N ZINC000449787809 251156447 /nfs/dbraw/zinc/15/64/47/251156447.db2.gz WQJQGGQIVBBEIT-UHFFFAOYSA-N 2 2 328.382 2.745 20 30 EFEDLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C#N ZINC000449787809 251156451 /nfs/dbraw/zinc/15/64/51/251156451.db2.gz WQJQGGQIVBBEIT-UHFFFAOYSA-N 2 2 328.382 2.745 20 30 EFEDLP N#Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000344550122 142038716 /nfs/dbraw/zinc/03/87/16/142038716.db2.gz FDJIYHGZWLXWRJ-HKUYNNGSSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000344550122 142038717 /nfs/dbraw/zinc/03/87/17/142038717.db2.gz FDJIYHGZWLXWRJ-HKUYNNGSSA-N 2 2 341.480 2.592 20 30 EFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144070 145378064 /nfs/dbraw/zinc/37/80/64/145378064.db2.gz SSCKHZLESGCNEP-LAUBAEHRSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144070 145378067 /nfs/dbraw/zinc/37/80/67/145378067.db2.gz SSCKHZLESGCNEP-LAUBAEHRSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000344174385 145385284 /nfs/dbraw/zinc/38/52/84/145385284.db2.gz QRQNDBBBXHTOLE-UZLBHIALSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000344174385 145385285 /nfs/dbraw/zinc/38/52/85/145385285.db2.gz QRQNDBBBXHTOLE-UZLBHIALSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000352876655 146338624 /nfs/dbraw/zinc/33/86/24/146338624.db2.gz OHHICKXHTFKTJQ-IRXDYDNUSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000123050892 222208093 /nfs/dbraw/zinc/20/80/93/222208093.db2.gz FSKSRLHRHUFTOQ-HZPDHXFCSA-N 2 2 332.517 2.610 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3C#N)CC2)CC1 ZINC000269633486 265844336 /nfs/dbraw/zinc/84/43/36/265844336.db2.gz IIHCHMYHPYWTIZ-UHFFFAOYSA-N 2 2 326.488 2.549 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC000269633486 265844339 /nfs/dbraw/zinc/84/43/39/265844339.db2.gz IIHCHMYHPYWTIZ-UHFFFAOYSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271844114 267089796 /nfs/dbraw/zinc/08/97/96/267089796.db2.gz HJEIEAKUIGDOLG-VQIMIIECSA-N 2 2 327.472 2.927 20 30 EFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000277408915 267174882 /nfs/dbraw/zinc/17/48/82/267174882.db2.gz ZYGGIYSGQHBUEO-INIZCTEOSA-N 2 2 325.416 2.524 20 30 EFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000277408915 267174886 /nfs/dbraw/zinc/17/48/86/267174886.db2.gz ZYGGIYSGQHBUEO-INIZCTEOSA-N 2 2 325.416 2.524 20 30 EFEDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156548700 267216232 /nfs/dbraw/zinc/21/62/32/267216232.db2.gz PBWXKPYOMBQIME-YJBOKZPZSA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156548700 267216237 /nfs/dbraw/zinc/21/62/37/267216237.db2.gz PBWXKPYOMBQIME-YJBOKZPZSA-N 2 2 337.427 2.666 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)C3CCCC3)CC2)cc1 ZINC000290045306 268064870 /nfs/dbraw/zinc/06/48/70/268064870.db2.gz DSHTXFILQFZXKN-HXUWFJFHSA-N 2 2 327.472 2.663 20 30 EFEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279499 279253184 /nfs/dbraw/zinc/25/31/84/279253184.db2.gz FLAWKCPFKOYFJV-RTBURBONSA-N 2 2 341.503 2.608 20 30 EFEDLP C[C@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000276279499 279253186 /nfs/dbraw/zinc/25/31/86/279253186.db2.gz FLAWKCPFKOYFJV-RTBURBONSA-N 2 2 341.503 2.608 20 30 EFEDLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330134330 295377112 /nfs/dbraw/zinc/37/71/12/295377112.db2.gz RVNNQFDIVZCRIY-UHFFFAOYSA-N 2 2 345.491 2.910 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(C#N)cc3)c2cc1C ZINC000553790013 318293677 /nfs/dbraw/zinc/29/36/77/318293677.db2.gz JDGAWSJSPZQUMC-GOSISDBHSA-N 2 2 334.423 2.676 20 30 EFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000556242872 318385206 /nfs/dbraw/zinc/38/52/06/318385206.db2.gz WXLZWGSLJPCYOO-IFMALSPDSA-N 2 2 347.462 2.554 20 30 EFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CC2 ZINC000556242872 318385209 /nfs/dbraw/zinc/38/52/09/318385209.db2.gz WXLZWGSLJPCYOO-IFMALSPDSA-N 2 2 347.462 2.554 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766404 320047236 /nfs/dbraw/zinc/04/72/36/320047236.db2.gz QQHVXMSWHGRZQB-PMACEKPBSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766404 320047238 /nfs/dbraw/zinc/04/72/38/320047238.db2.gz QQHVXMSWHGRZQB-PMACEKPBSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766404 320047241 /nfs/dbraw/zinc/04/72/41/320047241.db2.gz QQHVXMSWHGRZQB-PMACEKPBSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000576766404 320047242 /nfs/dbraw/zinc/04/72/42/320047242.db2.gz QQHVXMSWHGRZQB-PMACEKPBSA-N 2 2 332.451 2.907 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CCC#N)CC3CC3)c2cc1C ZINC000081514811 473212072 /nfs/dbraw/zinc/21/20/72/473212072.db2.gz XACGTUYNYBWBCY-QGZVFWFLSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CCC#N)CC3CC3)c2cc1C ZINC000081514811 473212074 /nfs/dbraw/zinc/21/20/74/473212074.db2.gz XACGTUYNYBWBCY-QGZVFWFLSA-N 2 2 326.444 2.640 20 30 EFEDLP C=C[C@H](C(=O)OC)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000619720059 479864808 /nfs/dbraw/zinc/86/48/08/479864808.db2.gz XEFUGZCPCFJFTR-GOSISDBHSA-N 2 2 328.456 2.702 20 30 EFEDLP C=C[C@H](C(=O)OC)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000619720059 479864815 /nfs/dbraw/zinc/86/48/15/479864815.db2.gz XEFUGZCPCFJFTR-GOSISDBHSA-N 2 2 328.456 2.702 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632480 473236693 /nfs/dbraw/zinc/23/66/93/473236693.db2.gz LCCALOZKSUPPIU-MAUKXSAKSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632480 473236696 /nfs/dbraw/zinc/23/66/96/473236696.db2.gz LCCALOZKSUPPIU-MAUKXSAKSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632480 473236699 /nfs/dbraw/zinc/23/66/99/473236699.db2.gz LCCALOZKSUPPIU-MAUKXSAKSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632480 473236701 /nfs/dbraw/zinc/23/67/01/473236701.db2.gz LCCALOZKSUPPIU-MAUKXSAKSA-N 2 2 340.471 2.549 20 30 EFEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCOc2ccccc21 ZINC000083035621 473317001 /nfs/dbraw/zinc/31/70/01/473317001.db2.gz CTHNEEMHSVMYED-MRXNPFEDSA-N 2 2 339.443 2.702 20 30 EFEDLP C[N@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000083033272 473317132 /nfs/dbraw/zinc/31/71/32/473317132.db2.gz ZPCHATORSWNZOP-SFHVURJKSA-N 2 2 338.455 2.547 20 30 EFEDLP C[N@@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000083033272 473317139 /nfs/dbraw/zinc/31/71/39/473317139.db2.gz ZPCHATORSWNZOP-SFHVURJKSA-N 2 2 338.455 2.547 20 30 EFEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccsc1 ZINC000083804635 473368307 /nfs/dbraw/zinc/36/83/07/473368307.db2.gz PQODETSLZPOYKP-UHFFFAOYSA-N 2 2 334.514 2.533 20 30 EFEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccsc1 ZINC000083804635 473368311 /nfs/dbraw/zinc/36/83/11/473368311.db2.gz PQODETSLZPOYKP-UHFFFAOYSA-N 2 2 334.514 2.533 20 30 EFEDLP N#C[C@@H](c1ccccc1)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000125234270 473379441 /nfs/dbraw/zinc/37/94/41/473379441.db2.gz KTLXIZSMPQUNDT-FQEVSTJZSA-N 2 2 326.488 2.745 20 30 EFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)C(C)C ZINC000069154677 472299606 /nfs/dbraw/zinc/29/96/06/472299606.db2.gz UNXZAGJZAWOQII-KRWDZBQOSA-N 2 2 326.444 2.763 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154747145 472468031 /nfs/dbraw/zinc/46/80/31/472468031.db2.gz XEAQYRFNQPFGFB-LJQANCHMSA-N 2 2 335.536 2.855 20 30 EFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154747145 472468038 /nfs/dbraw/zinc/46/80/38/472468038.db2.gz XEAQYRFNQPFGFB-LJQANCHMSA-N 2 2 335.536 2.855 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000069982844 472481656 /nfs/dbraw/zinc/48/16/56/472481656.db2.gz KTTXVZPKVBOCLW-ROUUACIJSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130368633 472601040 /nfs/dbraw/zinc/60/10/40/472601040.db2.gz GTYLORWFJAOFDZ-KRWDZBQOSA-N 2 2 339.443 2.540 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130368633 472601043 /nfs/dbraw/zinc/60/10/43/472601043.db2.gz GTYLORWFJAOFDZ-KRWDZBQOSA-N 2 2 339.443 2.540 20 30 EFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000131105579 472649701 /nfs/dbraw/zinc/64/97/01/472649701.db2.gz KMFNSQDNSWXBTA-IBGZPJMESA-N 2 2 330.472 2.796 20 30 EFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000131105579 472649705 /nfs/dbraw/zinc/64/97/05/472649705.db2.gz KMFNSQDNSWXBTA-IBGZPJMESA-N 2 2 330.472 2.796 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000105896660 472800885 /nfs/dbraw/zinc/80/08/85/472800885.db2.gz OMSZUWMAOHHONY-FCEWJHQRSA-N 2 2 345.491 2.525 20 30 EFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000105896660 472800889 /nfs/dbraw/zinc/80/08/89/472800889.db2.gz OMSZUWMAOHHONY-FCEWJHQRSA-N 2 2 345.491 2.525 20 30 EFEDLP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OCCCC#N ZINC000064613327 472865845 /nfs/dbraw/zinc/86/58/45/472865845.db2.gz VPEQYQLTEQGPPS-UHFFFAOYSA-N 2 2 328.416 2.754 20 30 EFEDLP COc1cc[nH+]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000106859651 472899272 /nfs/dbraw/zinc/89/92/72/472899272.db2.gz UYLIDENAMHGCBT-UHFFFAOYSA-N 2 2 336.439 2.670 20 30 EFEDLP COc1cc[nH+]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000106859651 472899277 /nfs/dbraw/zinc/89/92/77/472899277.db2.gz UYLIDENAMHGCBT-UHFFFAOYSA-N 2 2 336.439 2.670 20 30 EFEDLP Cc1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000121949085 472950844 /nfs/dbraw/zinc/95/08/44/472950844.db2.gz KTIZNWVDGMYKKZ-UHFFFAOYSA-N 2 2 337.427 2.857 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@@H+]1C1CC1 ZINC000160179783 473094153 /nfs/dbraw/zinc/09/41/53/473094153.db2.gz UBKJUIKHDHEIGV-DJIMGWMZSA-N 2 2 342.462 2.881 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1 ZINC000160179783 473094159 /nfs/dbraw/zinc/09/41/59/473094159.db2.gz UBKJUIKHDHEIGV-DJIMGWMZSA-N 2 2 342.462 2.881 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961854 473114652 /nfs/dbraw/zinc/11/46/52/473114652.db2.gz RVVLDGPOXJHVHR-OAHLLOKOSA-N 2 2 334.383 2.711 20 30 EFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080961854 473114657 /nfs/dbraw/zinc/11/46/57/473114657.db2.gz RVVLDGPOXJHVHR-OAHLLOKOSA-N 2 2 334.383 2.711 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960523 473115022 /nfs/dbraw/zinc/11/50/22/473115022.db2.gz FTPQOTGLGYFGNR-OAHLLOKOSA-N 2 2 326.400 2.548 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960523 473115029 /nfs/dbraw/zinc/11/50/29/473115029.db2.gz FTPQOTGLGYFGNR-OAHLLOKOSA-N 2 2 326.400 2.548 20 30 EFEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000109794395 473122883 /nfs/dbraw/zinc/12/28/83/473122883.db2.gz LICVHIRLDXQYAN-UHFFFAOYSA-N 2 2 343.818 2.684 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000185770588 473509394 /nfs/dbraw/zinc/50/93/94/473509394.db2.gz YGLNFIVZRAKDSL-RBUKOAKNSA-N 2 2 326.488 2.871 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978650 473602315 /nfs/dbraw/zinc/60/23/15/473602315.db2.gz HCRYOXUFHNHZRY-QUCCMNQESA-N 3 2 337.552 2.754 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978650 473602320 /nfs/dbraw/zinc/60/23/20/473602320.db2.gz HCRYOXUFHNHZRY-QUCCMNQESA-N 3 2 337.552 2.754 20 30 EFEDLP Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000180282898 473845617 /nfs/dbraw/zinc/84/56/17/473845617.db2.gz IAYFRATUTVWHMG-UHFFFAOYSA-N 2 2 346.438 2.946 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280444 473846398 /nfs/dbraw/zinc/84/63/98/473846398.db2.gz LFDIZTGHNPHICI-QUCCMNQESA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280444 473846405 /nfs/dbraw/zinc/84/64/05/473846405.db2.gz LFDIZTGHNPHICI-QUCCMNQESA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280444 473846407 /nfs/dbraw/zinc/84/64/07/473846407.db2.gz LFDIZTGHNPHICI-QUCCMNQESA-N 2 2 349.482 2.875 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280444 473846414 /nfs/dbraw/zinc/84/64/14/473846414.db2.gz LFDIZTGHNPHICI-QUCCMNQESA-N 2 2 349.482 2.875 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009645 473916323 /nfs/dbraw/zinc/91/63/23/473916323.db2.gz OFWNHUOGEMEOJS-RLLQIKCJSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009645 473916328 /nfs/dbraw/zinc/91/63/28/473916328.db2.gz OFWNHUOGEMEOJS-RLLQIKCJSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009645 473916335 /nfs/dbraw/zinc/91/63/35/473916335.db2.gz OFWNHUOGEMEOJS-RLLQIKCJSA-N 2 2 341.499 2.758 20 30 EFEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000282009645 473916337 /nfs/dbraw/zinc/91/63/37/473916337.db2.gz OFWNHUOGEMEOJS-RLLQIKCJSA-N 2 2 341.499 2.758 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000264115408 473950203 /nfs/dbraw/zinc/95/02/03/473950203.db2.gz PVHRSAHXZSYUHU-INIZCTEOSA-N 2 2 342.443 2.733 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246813081 473969965 /nfs/dbraw/zinc/96/99/65/473969965.db2.gz IWPLKGROXRDDNF-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246813081 473969973 /nfs/dbraw/zinc/96/99/73/473969973.db2.gz IWPLKGROXRDDNF-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246813081 473969978 /nfs/dbraw/zinc/96/99/78/473969978.db2.gz IWPLKGROXRDDNF-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246813081 473969985 /nfs/dbraw/zinc/96/99/85/473969985.db2.gz IWPLKGROXRDDNF-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865299 473986941 /nfs/dbraw/zinc/98/69/41/473986941.db2.gz LGGDQHIXYTXJIN-RHSMWYFYSA-N 2 2 346.862 2.566 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865299 473986950 /nfs/dbraw/zinc/98/69/50/473986950.db2.gz LGGDQHIXYTXJIN-RHSMWYFYSA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865299 473986956 /nfs/dbraw/zinc/98/69/56/473986956.db2.gz LGGDQHIXYTXJIN-RHSMWYFYSA-N 2 2 346.862 2.566 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246865299 473986963 /nfs/dbraw/zinc/98/69/63/473986963.db2.gz LGGDQHIXYTXJIN-RHSMWYFYSA-N 2 2 346.862 2.566 20 30 EFEDLP CN(CC[N@H+](C)CC#Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000180963310 473993241 /nfs/dbraw/zinc/99/32/41/473993241.db2.gz VABNLIPRYGTACF-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP CN(CC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000180963310 473993250 /nfs/dbraw/zinc/99/32/50/473993250.db2.gz VABNLIPRYGTACF-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP CN(CC#Cc1ccc(Cl)cc1)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180963310 473993256 /nfs/dbraw/zinc/99/32/56/473993256.db2.gz VABNLIPRYGTACF-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP CN(CC#Cc1ccc(Cl)cc1)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180963310 473993262 /nfs/dbraw/zinc/99/32/62/473993262.db2.gz VABNLIPRYGTACF-UHFFFAOYSA-N 2 2 333.907 2.649 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181072931 474002787 /nfs/dbraw/zinc/00/27/87/474002787.db2.gz MBFMBONHXDCWKA-HFCFLWKCSA-N 2 2 345.491 2.524 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181072931 474002795 /nfs/dbraw/zinc/00/27/95/474002795.db2.gz MBFMBONHXDCWKA-HFCFLWKCSA-N 2 2 345.491 2.524 20 30 EFEDLP COc1cc(C)[nH+]c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000270254754 474047984 /nfs/dbraw/zinc/04/79/84/474047984.db2.gz JGXGAZQBVRJIJQ-UHFFFAOYSA-N 2 2 336.439 2.588 20 30 EFEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318029 474057722 /nfs/dbraw/zinc/05/77/22/474057722.db2.gz REIBASXJOCMADQ-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318029 474057730 /nfs/dbraw/zinc/05/77/30/474057730.db2.gz REIBASXJOCMADQ-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188318029 474057736 /nfs/dbraw/zinc/05/77/36/474057736.db2.gz REIBASXJOCMADQ-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188318029 474057741 /nfs/dbraw/zinc/05/77/41/474057741.db2.gz REIBASXJOCMADQ-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282545557 474105387 /nfs/dbraw/zinc/10/53/87/474105387.db2.gz CCKMGCOMCMURAE-UHFFFAOYSA-N 2 2 325.460 2.624 20 30 EFEDLP C=CC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000275257643 474121045 /nfs/dbraw/zinc/12/10/45/474121045.db2.gz HYOAQPCVIWDMHI-FQEVSTJZSA-N 2 2 343.515 2.831 20 30 EFEDLP C=CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000275257643 474121051 /nfs/dbraw/zinc/12/10/51/474121051.db2.gz HYOAQPCVIWDMHI-FQEVSTJZSA-N 2 2 343.515 2.831 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247625232 474190234 /nfs/dbraw/zinc/19/02/34/474190234.db2.gz NMGUDVLXVGKVRY-IIDMSEBBSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247625232 474190241 /nfs/dbraw/zinc/19/02/41/474190241.db2.gz NMGUDVLXVGKVRY-IIDMSEBBSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247649073 474194908 /nfs/dbraw/zinc/19/49/08/474194908.db2.gz PBWXKPYOMBQIME-CRAIPNDOSA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247649073 474194912 /nfs/dbraw/zinc/19/49/12/474194912.db2.gz PBWXKPYOMBQIME-CRAIPNDOSA-N 2 2 337.427 2.666 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000265828695 474352685 /nfs/dbraw/zinc/35/26/85/474352685.db2.gz CGXIXEILSBJTFH-RTWAWAEBSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000265828695 474352691 /nfs/dbraw/zinc/35/26/91/474352691.db2.gz CGXIXEILSBJTFH-RTWAWAEBSA-N 2 2 335.451 2.531 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183563149 474393058 /nfs/dbraw/zinc/39/30/58/474393058.db2.gz SYLTZGBKEXCFHW-INIZCTEOSA-N 2 2 346.471 2.930 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183562871 474393556 /nfs/dbraw/zinc/39/35/56/474393556.db2.gz WVQOTHGBINBLSW-OAHLLOKOSA-N 2 2 332.444 2.539 20 30 EFEDLP CC/C=C/CCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000184430849 474512713 /nfs/dbraw/zinc/51/27/13/474512713.db2.gz GVHPTPJIDRZDPH-ONEGZZNKSA-N 2 2 331.460 2.637 20 30 EFEDLP Cc1c(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000267010942 474565746 /nfs/dbraw/zinc/56/57/46/474565746.db2.gz MJKJDHAUDNHVNL-UHFFFAOYSA-N 2 2 342.399 2.802 20 30 EFEDLP CO[C@@H](C)c1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cs1 ZINC000267020216 474567084 /nfs/dbraw/zinc/56/70/84/474567084.db2.gz QNULETQDWJZHIP-LBPRGKRZSA-N 2 2 348.472 2.749 20 30 EFEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675300 474622130 /nfs/dbraw/zinc/62/21/30/474622130.db2.gz UNVIQLMNSOBWJH-FXAWDEMLSA-N 2 2 349.482 2.990 20 30 EFEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675300 474622132 /nfs/dbraw/zinc/62/21/32/474622132.db2.gz UNVIQLMNSOBWJH-FXAWDEMLSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675300 474622138 /nfs/dbraw/zinc/62/21/38/474622138.db2.gz UNVIQLMNSOBWJH-FXAWDEMLSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675300 474622143 /nfs/dbraw/zinc/62/21/43/474622143.db2.gz UNVIQLMNSOBWJH-FXAWDEMLSA-N 2 2 349.482 2.990 20 30 EFEDLP Cc1ccc2ncc(C#N)c(NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000291932504 474758093 /nfs/dbraw/zinc/75/80/93/474758093.db2.gz MHJQDTWXPHYCJB-UHFFFAOYSA-N 2 2 337.471 2.853 20 30 EFEDLP Cc1c(Cl)cnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000273354076 474856983 /nfs/dbraw/zinc/85/69/83/474856983.db2.gz PRCJGWMZBHPVDI-UHFFFAOYSA-N 2 2 347.894 2.886 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900777 474903873 /nfs/dbraw/zinc/90/38/73/474903873.db2.gz ZHXHWJMJVNHFEB-RBUKOAKNSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278900777 474903879 /nfs/dbraw/zinc/90/38/79/474903879.db2.gz ZHXHWJMJVNHFEB-RBUKOAKNSA-N 2 2 342.487 2.542 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280286995 475018089 /nfs/dbraw/zinc/01/80/89/475018089.db2.gz TXDYXHXGCXWQSW-AWEZNQCLSA-N 2 2 326.444 2.672 20 30 EFEDLP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000328590430 475032643 /nfs/dbraw/zinc/03/26/43/475032643.db2.gz NXAXEIQDHOVKNU-LJQANCHMSA-N 2 2 345.487 2.638 20 30 EFEDLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285615389 475033080 /nfs/dbraw/zinc/03/30/80/475033080.db2.gz WBYACFGHPMZILY-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285615389 475033093 /nfs/dbraw/zinc/03/30/93/475033093.db2.gz WBYACFGHPMZILY-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP C[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285615389 475033104 /nfs/dbraw/zinc/03/31/04/475033104.db2.gz WBYACFGHPMZILY-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP C[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285615389 475033117 /nfs/dbraw/zinc/03/31/17/475033117.db2.gz WBYACFGHPMZILY-XYPWUTKMSA-N 2 2 346.862 2.707 20 30 EFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286312324 475060333 /nfs/dbraw/zinc/06/03/33/475060333.db2.gz XFALGQPTWSIOGJ-HXUWFJFHSA-N 2 2 326.488 2.991 20 30 EFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286312324 475060341 /nfs/dbraw/zinc/06/03/41/475060341.db2.gz XFALGQPTWSIOGJ-HXUWFJFHSA-N 2 2 326.488 2.991 20 30 EFEDLP C(#Cc1ccccc1)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337531294 475100382 /nfs/dbraw/zinc/10/03/82/475100382.db2.gz VJPSIEZSFPZOMK-UHFFFAOYSA-N 2 2 326.363 2.674 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000345329546 475100879 /nfs/dbraw/zinc/10/08/79/475100879.db2.gz YYXFEFGBROYTQW-UHFFFAOYSA-N 2 2 338.455 2.951 20 30 EFEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000329856063 475149044 /nfs/dbraw/zinc/14/90/44/475149044.db2.gz UMWPMTBNBDCNEG-LZWOXQAQSA-N 2 2 348.491 2.598 20 30 EFEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000329856063 475149052 /nfs/dbraw/zinc/14/90/52/475149052.db2.gz UMWPMTBNBDCNEG-LZWOXQAQSA-N 2 2 348.491 2.598 20 30 EFEDLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC1CC[NH+](CC)CC1 ZINC000330159156 475206333 /nfs/dbraw/zinc/20/63/33/475206333.db2.gz QRMANWUEDSXOLR-MRXNPFEDSA-N 2 2 333.480 2.828 20 30 EFEDLP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(C)(C)C ZINC000330790868 475277896 /nfs/dbraw/zinc/27/78/96/475277896.db2.gz CLQKILPUISVZDC-CABCVRRESA-N 2 2 335.496 2.870 20 30 EFEDLP CCOCC[N@@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC000331226509 475325172 /nfs/dbraw/zinc/32/51/72/475325172.db2.gz CQVSBTMJACIUHJ-KRWDZBQOSA-N 2 2 348.491 2.985 20 30 EFEDLP CCOCC[N@H+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC000331226509 475325178 /nfs/dbraw/zinc/32/51/78/475325178.db2.gz CQVSBTMJACIUHJ-KRWDZBQOSA-N 2 2 348.491 2.985 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4cccc(O)c4C3)CC2)cc1 ZINC000361441647 475454458 /nfs/dbraw/zinc/45/44/58/475454458.db2.gz WEDRTKHEKHECQW-HXUWFJFHSA-N 2 2 347.462 2.985 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331918385 475455149 /nfs/dbraw/zinc/45/51/49/475455149.db2.gz OACQYZHMEDSVJS-HZPDHXFCSA-N 2 2 333.436 2.515 20 30 EFEDLP Cc1cc[nH+]cc1N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000332064605 475498786 /nfs/dbraw/zinc/49/87/86/475498786.db2.gz RCYMDTGWSAWPID-UHFFFAOYSA-N 2 2 328.460 2.613 20 30 EFEDLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000352695279 475540549 /nfs/dbraw/zinc/54/05/49/475540549.db2.gz VYASCTLWKYXZKB-UHFFFAOYSA-N 2 2 337.471 2.875 20 30 EFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000352695279 475540558 /nfs/dbraw/zinc/54/05/58/475540558.db2.gz VYASCTLWKYXZKB-UHFFFAOYSA-N 2 2 337.471 2.875 20 30 EFEDLP C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000348271154 475547067 /nfs/dbraw/zinc/54/70/67/475547067.db2.gz LPEURKDOONCODV-PBHICJAKSA-N 2 2 348.410 2.888 20 30 EFEDLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000348271154 475547074 /nfs/dbraw/zinc/54/70/74/475547074.db2.gz LPEURKDOONCODV-PBHICJAKSA-N 2 2 348.410 2.888 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342080585 475553382 /nfs/dbraw/zinc/55/33/82/475553382.db2.gz GGVMIODHSKGZJJ-ARFHVFGLSA-N 2 2 345.512 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342080585 475553391 /nfs/dbraw/zinc/55/33/91/475553391.db2.gz GGVMIODHSKGZJJ-ARFHVFGLSA-N 2 2 345.512 2.962 20 30 EFEDLP N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000348304625 475577345 /nfs/dbraw/zinc/57/73/45/475577345.db2.gz HVJANYJEEZVMAS-SFHVURJKSA-N 2 2 343.862 2.809 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000346619529 475703530 /nfs/dbraw/zinc/70/35/30/475703530.db2.gz QRDSKZAXRDBMKY-CRAIPNDOSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000346619529 475703539 /nfs/dbraw/zinc/70/35/39/475703539.db2.gz QRDSKZAXRDBMKY-CRAIPNDOSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000346619532 475704296 /nfs/dbraw/zinc/70/42/96/475704296.db2.gz QRDSKZAXRDBMKY-YJBOKZPZSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000346619532 475704298 /nfs/dbraw/zinc/70/42/98/475704298.db2.gz QRDSKZAXRDBMKY-YJBOKZPZSA-N 2 2 333.451 2.924 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000355306139 475814628 /nfs/dbraw/zinc/81/46/28/475814628.db2.gz IKLRCKGADYMROE-ROUUACIJSA-N 2 2 348.535 2.722 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000355306139 475814635 /nfs/dbraw/zinc/81/46/35/475814635.db2.gz IKLRCKGADYMROE-ROUUACIJSA-N 2 2 348.535 2.722 20 30 EFEDLP C=C(C)COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccc1OC ZINC000353362442 475903287 /nfs/dbraw/zinc/90/32/87/475903287.db2.gz FQKLQDFNYIELTP-UHFFFAOYSA-N 2 2 348.487 2.539 20 30 EFEDLP C=C(C)COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccc1OC ZINC000353362442 475903292 /nfs/dbraw/zinc/90/32/92/475903292.db2.gz FQKLQDFNYIELTP-UHFFFAOYSA-N 2 2 348.487 2.539 20 30 EFEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000347107922 476099158 /nfs/dbraw/zinc/09/91/58/476099158.db2.gz MGJUWHSGSBUXBN-NSHDSACASA-N 2 2 343.265 2.802 20 30 EFEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000347107922 476099163 /nfs/dbraw/zinc/09/91/63/476099163.db2.gz MGJUWHSGSBUXBN-NSHDSACASA-N 2 2 343.265 2.802 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343810408 476115931 /nfs/dbraw/zinc/11/59/31/476115931.db2.gz CLWPZOACMFOTGX-SJORKVTESA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343810408 476115940 /nfs/dbraw/zinc/11/59/40/476115940.db2.gz CLWPZOACMFOTGX-SJORKVTESA-N 2 2 336.524 2.541 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372965396 476365980 /nfs/dbraw/zinc/36/59/80/476365980.db2.gz MIAWTUPQBMHODF-AGYKMIKPSA-N 2 2 348.535 2.722 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372965396 476365986 /nfs/dbraw/zinc/36/59/86/476365986.db2.gz MIAWTUPQBMHODF-AGYKMIKPSA-N 2 2 348.535 2.722 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924453 476379746 /nfs/dbraw/zinc/37/97/46/476379746.db2.gz LRYPWFRKOJKUBN-WMZOPIPTSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924453 476379749 /nfs/dbraw/zinc/37/97/49/476379749.db2.gz LRYPWFRKOJKUBN-WMZOPIPTSA-N 2 2 336.524 2.541 20 30 EFEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365902194 476759632 /nfs/dbraw/zinc/75/96/32/476759632.db2.gz UOWMYRZMCBWOEQ-CYBMUJFWSA-N 2 2 329.429 2.551 20 30 EFEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365902194 476759638 /nfs/dbraw/zinc/75/96/38/476759638.db2.gz UOWMYRZMCBWOEQ-CYBMUJFWSA-N 2 2 329.429 2.551 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430580072 476868722 /nfs/dbraw/zinc/86/87/22/476868722.db2.gz DGLYSHQJLGVFQW-GJZGRUSLSA-N 2 2 333.501 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430580072 476868729 /nfs/dbraw/zinc/86/87/29/476868729.db2.gz DGLYSHQJLGVFQW-GJZGRUSLSA-N 2 2 333.501 2.962 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981435 476877506 /nfs/dbraw/zinc/87/75/06/476877506.db2.gz SURFNCYAELCFKN-FPOVZHCZSA-N 3 2 341.499 2.872 20 30 EFEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578242 477074485 /nfs/dbraw/zinc/07/44/85/477074485.db2.gz UIAZDOGXTJOTHP-MOPGFXCFSA-N 3 2 326.488 2.652 20 30 EFEDLP Cc1c(Cl)cnc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366764104 477174417 /nfs/dbraw/zinc/17/44/17/477174417.db2.gz AQYVSCPFLUWONI-HNNXBMFYSA-N 2 2 347.894 2.520 20 30 EFEDLP Cc1c(Cl)cnc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366764104 477174426 /nfs/dbraw/zinc/17/44/26/477174426.db2.gz AQYVSCPFLUWONI-HNNXBMFYSA-N 2 2 347.894 2.520 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420367165 477724257 /nfs/dbraw/zinc/72/42/57/477724257.db2.gz MQUUENUWVXFYHU-QWQRMKEZSA-N 2 2 333.501 2.879 20 30 EFEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000372336701 477761857 /nfs/dbraw/zinc/76/18/57/477761857.db2.gz JCGULGCFYRWJRM-IBGZPJMESA-N 2 2 346.906 2.812 20 30 EFEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000372336701 477761860 /nfs/dbraw/zinc/76/18/60/477761860.db2.gz JCGULGCFYRWJRM-IBGZPJMESA-N 2 2 346.906 2.812 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC000420981065 477875740 /nfs/dbraw/zinc/87/57/40/477875740.db2.gz MNCDCBSKZRRHKL-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC000420981065 477875749 /nfs/dbraw/zinc/87/57/49/477875749.db2.gz MNCDCBSKZRRHKL-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000420981065 477875753 /nfs/dbraw/zinc/87/57/53/477875753.db2.gz MNCDCBSKZRRHKL-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000420981065 477875761 /nfs/dbraw/zinc/87/57/61/477875761.db2.gz MNCDCBSKZRRHKL-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438987444 477914866 /nfs/dbraw/zinc/91/48/66/477914866.db2.gz AUPIQGVUTVRLSJ-AWEZNQCLSA-N 2 2 331.460 2.955 20 30 EFEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000494665109 478039315 /nfs/dbraw/zinc/03/93/15/478039315.db2.gz ILRIGZYWGNXYMU-UHFFFAOYSA-N 2 2 337.467 2.602 20 30 EFEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000494665109 478039325 /nfs/dbraw/zinc/03/93/25/478039325.db2.gz ILRIGZYWGNXYMU-UHFFFAOYSA-N 2 2 337.467 2.602 20 30 EFEDLP N#CCC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000560461597 478084853 /nfs/dbraw/zinc/08/48/53/478084853.db2.gz VQCRYULAESMZOL-UHFFFAOYSA-N 2 2 326.488 2.824 20 30 EFEDLP CC[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000561491772 478190031 /nfs/dbraw/zinc/19/00/31/478190031.db2.gz DUPFVFFXEGUQAW-UHFFFAOYSA-N 3 2 340.515 2.844 20 30 EFEDLP Cc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488973421 478206401 /nfs/dbraw/zinc/20/64/01/478206401.db2.gz FWMJHHMJSYSOSZ-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488973421 478206405 /nfs/dbraw/zinc/20/64/05/478206405.db2.gz FWMJHHMJSYSOSZ-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488973421 478206409 /nfs/dbraw/zinc/20/64/09/478206409.db2.gz FWMJHHMJSYSOSZ-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488973421 478206413 /nfs/dbraw/zinc/20/64/13/478206413.db2.gz FWMJHHMJSYSOSZ-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP CC(C)(C)OC(=O)NC(=C[NH2+]Nc1cc[nH+]cc1)CC(F)(F)F ZINC000495721531 478285572 /nfs/dbraw/zinc/28/55/72/478285572.db2.gz QQVIVESQWNDANL-LLVKDONJSA-N 2 2 332.326 2.747 20 30 EFEDLP Cn1cc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000537594565 478314196 /nfs/dbraw/zinc/31/41/96/478314196.db2.gz NFSNOFSGEKEJJN-UHFFFAOYSA-N 2 2 334.427 2.725 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000525858722 478396327 /nfs/dbraw/zinc/39/63/27/478396327.db2.gz XUHZSODHSDVMFV-JGWYNZBZSA-N 2 2 340.471 2.858 20 30 EFEDLP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000525858722 478396334 /nfs/dbraw/zinc/39/63/34/478396334.db2.gz XUHZSODHSDVMFV-JGWYNZBZSA-N 2 2 340.471 2.858 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000525858721 478397218 /nfs/dbraw/zinc/39/72/18/478397218.db2.gz XUHZSODHSDVMFV-HCMQPCSISA-N 2 2 340.471 2.858 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000525858721 478397224 /nfs/dbraw/zinc/39/72/24/478397224.db2.gz XUHZSODHSDVMFV-HCMQPCSISA-N 2 2 340.471 2.858 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049281 478410613 /nfs/dbraw/zinc/41/06/13/478410613.db2.gz SVVLNIPRNRBKGQ-KURKYZTESA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049281 478410619 /nfs/dbraw/zinc/41/06/19/478410619.db2.gz SVVLNIPRNRBKGQ-KURKYZTESA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000527049281 478410625 /nfs/dbraw/zinc/41/06/25/478410625.db2.gz SVVLNIPRNRBKGQ-KURKYZTESA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000527049281 478410632 /nfs/dbraw/zinc/41/06/32/478410632.db2.gz SVVLNIPRNRBKGQ-KURKYZTESA-N 2 2 346.519 2.524 20 30 EFEDLP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N ZINC000600775154 478515214 /nfs/dbraw/zinc/51/52/14/478515214.db2.gz LHUOBKSQLSCZKB-KGLIPLIRSA-N 2 2 327.350 2.526 20 30 EFEDLP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C#N ZINC000600775154 478515220 /nfs/dbraw/zinc/51/52/20/478515220.db2.gz LHUOBKSQLSCZKB-KGLIPLIRSA-N 2 2 327.350 2.526 20 30 EFEDLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000563362007 478531204 /nfs/dbraw/zinc/53/12/04/478531204.db2.gz XCCBHBHSAMXLIZ-UHFFFAOYSA-N 2 2 329.488 2.813 20 30 EFEDLP C[C@@H](CC[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@H+](C)Cc1ccccc1 ZINC000582301788 478565465 /nfs/dbraw/zinc/56/54/65/478565465.db2.gz VTKZHFTVQKHWJP-INIZCTEOSA-N 2 2 348.454 2.601 20 30 EFEDLP C[C@@H](CC[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@@H+](C)Cc1ccccc1 ZINC000582301788 478565469 /nfs/dbraw/zinc/56/54/69/478565469.db2.gz VTKZHFTVQKHWJP-INIZCTEOSA-N 2 2 348.454 2.601 20 30 EFEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572074 478583839 /nfs/dbraw/zinc/58/38/39/478583839.db2.gz PHDQKURYAQNUCS-IZIZEDOESA-N 2 2 343.471 2.605 20 30 EFEDLP N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000591576879 478584798 /nfs/dbraw/zinc/58/47/98/478584798.db2.gz NCAFGPUZHABLPV-LJQANCHMSA-N 2 2 333.439 2.852 20 30 EFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000591576875 478586258 /nfs/dbraw/zinc/58/62/58/478586258.db2.gz NCAFGPUZHABLPV-IBGZPJMESA-N 2 2 333.439 2.852 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000591763867 478622920 /nfs/dbraw/zinc/62/29/20/478622920.db2.gz ORXNRIHTJOBHBL-CTNGQTDRSA-N 2 2 335.451 2.628 20 30 EFEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000591763867 478622927 /nfs/dbraw/zinc/62/29/27/478622927.db2.gz ORXNRIHTJOBHBL-CTNGQTDRSA-N 2 2 335.451 2.628 20 30 EFEDLP Cc1cc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000591824437 478642611 /nfs/dbraw/zinc/64/26/11/478642611.db2.gz PXVBPUCGGYRAGS-SFHVURJKSA-N 2 2 338.480 2.713 20 30 EFEDLP Cc1cc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000591824437 478642623 /nfs/dbraw/zinc/64/26/23/478642623.db2.gz PXVBPUCGGYRAGS-SFHVURJKSA-N 2 2 338.480 2.713 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056029 478643601 /nfs/dbraw/zinc/64/36/01/478643601.db2.gz PFPIPKLRCRCHRS-UTKZUKDTSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056029 478643608 /nfs/dbraw/zinc/64/36/08/478643608.db2.gz PFPIPKLRCRCHRS-UTKZUKDTSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cn1cccn1 ZINC000564666426 478783902 /nfs/dbraw/zinc/78/39/02/478783902.db2.gz SCKDODGGMZXFQR-QGZVFWFLSA-N 2 2 337.471 2.645 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](CC#N)C3)c2cc1C ZINC000595617269 478890068 /nfs/dbraw/zinc/89/00/68/478890068.db2.gz XMFAUODQYTXTAX-IAGOWNOFSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](CC#N)C3)c2cc1C ZINC000595617269 478890074 /nfs/dbraw/zinc/89/00/74/478890074.db2.gz XMFAUODQYTXTAX-IAGOWNOFSA-N 2 2 326.444 2.640 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614188 478926199 /nfs/dbraw/zinc/92/61/99/478926199.db2.gz BIBOGZICTGPEBC-RDJZCZTQSA-N 2 2 330.476 2.700 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000598614188 478926209 /nfs/dbraw/zinc/92/62/09/478926209.db2.gz BIBOGZICTGPEBC-RDJZCZTQSA-N 2 2 330.476 2.700 20 30 EFEDLP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000598620941 478930314 /nfs/dbraw/zinc/93/03/14/478930314.db2.gz QEYVMQCEMQPHKP-AWEZNQCLSA-N 2 2 335.414 2.636 20 30 EFEDLP C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000598620941 478930321 /nfs/dbraw/zinc/93/03/21/478930321.db2.gz QEYVMQCEMQPHKP-AWEZNQCLSA-N 2 2 335.414 2.636 20 30 EFEDLP C[NH+](C)CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000583805203 478945088 /nfs/dbraw/zinc/94/50/88/478945088.db2.gz YTIMSWPHSUBMKT-UHFFFAOYSA-N 2 2 325.460 2.847 20 30 EFEDLP C[NH+](C)CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000583805203 478945096 /nfs/dbraw/zinc/94/50/96/478945096.db2.gz YTIMSWPHSUBMKT-UHFFFAOYSA-N 2 2 325.460 2.847 20 30 EFEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000598728370 478994543 /nfs/dbraw/zinc/99/45/43/478994543.db2.gz QYZFZOWFTPERLP-ZDUSSCGKSA-N 2 2 332.835 2.916 20 30 EFEDLP N#C[C@H]1CC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000565989456 479082806 /nfs/dbraw/zinc/08/28/06/479082806.db2.gz RRLSBIHXLLUVJS-GJZGRUSLSA-N 2 2 339.443 2.542 20 30 EFEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303392 479144116 /nfs/dbraw/zinc/14/41/16/479144116.db2.gz BQKUBVQZBOOVNR-WMZOPIPTSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)C1=O ZINC000515303392 479144122 /nfs/dbraw/zinc/14/41/22/479144122.db2.gz BQKUBVQZBOOVNR-WMZOPIPTSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303392 479144128 /nfs/dbraw/zinc/14/41/28/479144128.db2.gz BQKUBVQZBOOVNR-WMZOPIPTSA-N 2 2 347.528 2.597 20 30 EFEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)C1=O ZINC000515303392 479144134 /nfs/dbraw/zinc/14/41/34/479144134.db2.gz BQKUBVQZBOOVNR-WMZOPIPTSA-N 2 2 347.528 2.597 20 30 EFEDLP CC[N@H+](CCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000593181968 479225024 /nfs/dbraw/zinc/22/50/24/479225024.db2.gz QLHZEDHFMKUMHT-LJQANCHMSA-N 2 2 342.487 2.719 20 30 EFEDLP CC[N@@H+](CCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000593181968 479225033 /nfs/dbraw/zinc/22/50/33/479225033.db2.gz QLHZEDHFMKUMHT-LJQANCHMSA-N 2 2 342.487 2.719 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109511 479252816 /nfs/dbraw/zinc/25/28/16/479252816.db2.gz CLEYTFPUPZZNIJ-IBGZPJMESA-N 2 2 343.471 2.970 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109511 479252818 /nfs/dbraw/zinc/25/28/18/479252818.db2.gz CLEYTFPUPZZNIJ-IBGZPJMESA-N 2 2 343.471 2.970 20 30 EFEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472975 479307939 /nfs/dbraw/zinc/30/79/39/479307939.db2.gz UTUFGQLXKFYUKD-UHFFFAOYSA-N 2 2 327.472 2.784 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000602516625 479377572 /nfs/dbraw/zinc/37/75/72/479377572.db2.gz OOBPOEOVBJQIOS-KRWDZBQOSA-N 2 2 342.487 2.735 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000602516626 479377581 /nfs/dbraw/zinc/37/75/81/479377581.db2.gz OOBPOEOVBJQIOS-QGZVFWFLSA-N 2 2 342.487 2.735 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703218 479429694 /nfs/dbraw/zinc/42/96/94/479429694.db2.gz QXEQWLXAHWQRBK-IERDGZPVSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703218 479429702 /nfs/dbraw/zinc/42/97/02/479429702.db2.gz QXEQWLXAHWQRBK-IERDGZPVSA-N 2 2 338.499 2.595 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000576696152 479582878 /nfs/dbraw/zinc/58/28/78/479582878.db2.gz DSPZTERANHBTNG-ROUUACIJSA-N 2 2 341.455 2.519 20 30 EFEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(-n2cc[nH+]c2)ncn1)C(C)C ZINC000607058879 479772731 /nfs/dbraw/zinc/77/27/31/479772731.db2.gz JJMJYRWGFJXANF-INIZCTEOSA-N 2 2 326.448 2.773 20 30 EFEDLP C=CCC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000641784711 481073646 /nfs/dbraw/zinc/07/36/46/481073646.db2.gz FAPDJWVVQBBPGZ-OALUTQOASA-N 2 2 347.503 2.673 20 30 EFEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)C ZINC000661755805 481292318 /nfs/dbraw/zinc/29/23/18/481292318.db2.gz ZHBVTMOJLWOGBS-UHFFFAOYSA-N 2 2 335.517 2.679 20 30 EFEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)C ZINC000661755805 481292327 /nfs/dbraw/zinc/29/23/27/481292327.db2.gz ZHBVTMOJLWOGBS-UHFFFAOYSA-N 2 2 335.517 2.679 20 30 EFEDLP C=CCC1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000661850106 481361451 /nfs/dbraw/zinc/36/14/51/481361451.db2.gz KAKCAFGSABFCLP-UHFFFAOYSA-N 2 2 347.528 2.871 20 30 EFEDLP C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648934465 481841823 /nfs/dbraw/zinc/84/18/23/481841823.db2.gz CEGDDYAACVQFEB-SFHVURJKSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648934465 481841829 /nfs/dbraw/zinc/84/18/29/481841829.db2.gz CEGDDYAACVQFEB-SFHVURJKSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665944511 482118036 /nfs/dbraw/zinc/11/80/36/482118036.db2.gz QNYAQSIASGAVLZ-ZWKOTPCHSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665944511 482118038 /nfs/dbraw/zinc/11/80/38/482118038.db2.gz QNYAQSIASGAVLZ-ZWKOTPCHSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853448 482180698 /nfs/dbraw/zinc/18/06/98/482180698.db2.gz YJDOSVLWJIRQLE-CQSZACIVSA-N 2 2 326.444 2.508 20 30 EFEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000174352590 533913410 /nfs/dbraw/zinc/91/34/10/533913410.db2.gz RPJSLADHSVRUFU-AWEZNQCLSA-N 2 2 342.418 2.893 20 30 EFEDLP COc1ccccc1CNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000170905071 534075477 /nfs/dbraw/zinc/07/54/77/534075477.db2.gz DTIWTEKCUFBJSJ-UHFFFAOYSA-N 2 2 337.427 2.609 20 30 EFEDLP C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422216483 534368062 /nfs/dbraw/zinc/36/80/62/534368062.db2.gz ZDRCPDXIHSYCHL-KRWDZBQOSA-N 2 2 336.524 2.543 20 30 EFEDLP C=CC[C@H](CC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422216483 534368072 /nfs/dbraw/zinc/36/80/72/534368072.db2.gz ZDRCPDXIHSYCHL-KRWDZBQOSA-N 2 2 336.524 2.543 20 30 EFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425336 521497808 /nfs/dbraw/zinc/49/78/08/521497808.db2.gz KPUDSBNURVZXKJ-NVXWUHKLSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425336 521497819 /nfs/dbraw/zinc/49/78/19/521497819.db2.gz KPUDSBNURVZXKJ-NVXWUHKLSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425336 521497825 /nfs/dbraw/zinc/49/78/25/521497825.db2.gz KPUDSBNURVZXKJ-NVXWUHKLSA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425336 521497833 /nfs/dbraw/zinc/49/78/33/521497833.db2.gz KPUDSBNURVZXKJ-NVXWUHKLSA-N 2 2 328.460 2.549 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245679984 523938897 /nfs/dbraw/zinc/93/88/97/523938897.db2.gz OYNHPPAVCGCXSY-QGTPRVQTSA-N 2 2 338.411 2.552 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245679984 523938900 /nfs/dbraw/zinc/93/89/00/523938900.db2.gz OYNHPPAVCGCXSY-QGTPRVQTSA-N 2 2 338.411 2.552 20 30 EFEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000181534874 524482685 /nfs/dbraw/zinc/48/26/85/524482685.db2.gz RTQQTARAIMTCOD-GOSISDBHSA-N 3 2 340.515 2.844 20 30 EFEDLP C=CC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000301179671 534848177 /nfs/dbraw/zinc/84/81/77/534848177.db2.gz OCGIFIROVNNZJN-UHFFFAOYSA-N 2 2 334.427 2.878 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000177904705 526452746 /nfs/dbraw/zinc/45/27/46/526452746.db2.gz MGWKQDXKGPQDHO-ZDUSSCGKSA-N 2 2 336.867 2.692 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000177913776 526453039 /nfs/dbraw/zinc/45/30/39/526453039.db2.gz ZUZOBAKHWXAMAX-INIZCTEOSA-N 2 2 347.478 2.963 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000181758950 526610398 /nfs/dbraw/zinc/61/03/98/526610398.db2.gz WYCRUPFVLMYZPA-FGZHOGPDSA-N 2 2 347.462 2.771 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159284291 526634027 /nfs/dbraw/zinc/63/40/27/526634027.db2.gz IZZDKHGDADZATJ-DFQSSKMNSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159284291 526634029 /nfs/dbraw/zinc/63/40/29/526634029.db2.gz IZZDKHGDADZATJ-DFQSSKMNSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159284291 526634036 /nfs/dbraw/zinc/63/40/36/526634036.db2.gz IZZDKHGDADZATJ-DFQSSKMNSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159284291 526634041 /nfs/dbraw/zinc/63/40/41/526634041.db2.gz IZZDKHGDADZATJ-DFQSSKMNSA-N 2 2 341.499 2.664 20 30 EFEDLP CC(C)(CCC#N)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000174308231 526999284 /nfs/dbraw/zinc/99/92/84/526999284.db2.gz DRGHLICDMLAEJJ-UHFFFAOYSA-N 2 2 345.487 2.817 20 30 EFEDLP CCC[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181839666 528124379 /nfs/dbraw/zinc/12/43/79/528124379.db2.gz BKDUZSYYVSDVEL-GOSISDBHSA-N 2 2 329.488 2.911 20 30 EFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000177857753 528669397 /nfs/dbraw/zinc/66/93/97/528669397.db2.gz NSXWBZJWZZDNAQ-BEFAXECRSA-N 2 2 333.451 2.924 20 30 EFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000177857753 528669403 /nfs/dbraw/zinc/66/94/03/528669403.db2.gz NSXWBZJWZZDNAQ-BEFAXECRSA-N 2 2 333.451 2.924 20 30 EFEDLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000329405898 535255539 /nfs/dbraw/zinc/25/55/39/535255539.db2.gz BXVHDVOOYRWONK-LBPRGKRZSA-N 2 2 345.472 2.957 20 30 EFEDLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000329405898 535255543 /nfs/dbraw/zinc/25/55/43/535255543.db2.gz BXVHDVOOYRWONK-LBPRGKRZSA-N 2 2 345.472 2.957 20 30 EFEDLP CC[NH+]=C(NCCC1CCOCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261949664 535262349 /nfs/dbraw/zinc/26/23/49/535262349.db2.gz HADYPDCOCANHEI-WMZOPIPTSA-N 2 2 347.507 2.548 20 30 EFEDLP CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303779892 535384666 /nfs/dbraw/zinc/38/46/66/535384666.db2.gz KYDAJRBSHSGCNN-HNNXBMFYSA-N 2 2 328.464 2.886 20 30 EFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(C)C ZINC000414301229 535895122 /nfs/dbraw/zinc/89/51/22/535895122.db2.gz SRTBLRPWXJLKDK-PMACEKPBSA-N 2 2 329.488 2.908 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351689426 536353726 /nfs/dbraw/zinc/35/37/26/536353726.db2.gz AGPHELXISNRQBD-QGZVFWFLSA-N 2 2 330.451 2.694 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351689426 536353729 /nfs/dbraw/zinc/35/37/29/536353729.db2.gz AGPHELXISNRQBD-QGZVFWFLSA-N 2 2 330.451 2.694 20 30 EFEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000341929387 545942935 /nfs/dbraw/zinc/94/29/35/545942935.db2.gz KJABEGUQOITUOJ-JYBIWHBTSA-N 2 2 332.488 2.754 20 30 EFEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000657286177 547086691 /nfs/dbraw/zinc/08/66/91/547086691.db2.gz TXKJCFSCFYQGSY-UHFFFAOYSA-N 2 2 325.460 2.608 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389232 547141893 /nfs/dbraw/zinc/14/18/93/547141893.db2.gz TWLSJFOTZSXBSV-IEBWSBKVSA-N 2 2 339.487 2.997 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389232 547141900 /nfs/dbraw/zinc/14/19/00/547141900.db2.gz TWLSJFOTZSXBSV-IEBWSBKVSA-N 2 2 339.487 2.997 20 30 EFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000657831802 547296289 /nfs/dbraw/zinc/29/62/89/547296289.db2.gz BRXVOTASYONDPR-OALUTQOASA-N 2 2 343.519 2.713 20 30 EFEDLP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478387 548711532 /nfs/dbraw/zinc/71/15/32/548711532.db2.gz WKUKDFLYDFUPQE-PMACEKPBSA-N 2 2 340.515 2.718 20 30 EFEDLP CCC#C[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478387 548711535 /nfs/dbraw/zinc/71/15/35/548711535.db2.gz WKUKDFLYDFUPQE-PMACEKPBSA-N 2 2 340.515 2.718 20 30 EFEDLP CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000754857182 575503990 /nfs/dbraw/zinc/50/39/90/575503990.db2.gz BVZFVJNYNOZWOV-KRWDZBQOSA-N 2 2 338.540 2.815 20 30 EFEDLP CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000754857182 575503991 /nfs/dbraw/zinc/50/39/91/575503991.db2.gz BVZFVJNYNOZWOV-KRWDZBQOSA-N 2 2 338.540 2.815 20 30 EFEDLP CCCCCC[C@@H](C)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755753210 575628201 /nfs/dbraw/zinc/62/82/01/575628201.db2.gz IXJPHOQQPWPXHC-MRXNPFEDSA-N 2 2 332.496 2.511 20 30 EFEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000725780090 577222669 /nfs/dbraw/zinc/22/26/69/577222669.db2.gz WPOLNPMSAWNZEJ-MRXNPFEDSA-N 2 2 349.548 2.928 20 30 EFEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000725780090 577222670 /nfs/dbraw/zinc/22/26/70/577222670.db2.gz WPOLNPMSAWNZEJ-MRXNPFEDSA-N 2 2 349.548 2.928 20 30 EFEDLP C#C[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975697 577396205 /nfs/dbraw/zinc/39/62/05/577396205.db2.gz HWHUDIRQZOEHEM-YJBOKZPZSA-N 2 2 347.890 2.547 20 30 EFEDLP C#C[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975697 577396206 /nfs/dbraw/zinc/39/62/06/577396206.db2.gz HWHUDIRQZOEHEM-YJBOKZPZSA-N 2 2 347.890 2.547 20 30 EFEDLP Cc1nc(Cl)cc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000771560339 581222751 /nfs/dbraw/zinc/22/27/51/581222751.db2.gz PQLVSWFHZWZVHK-UHFFFAOYSA-N 2 2 344.850 2.636 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000996476455 1255343144 /nfs/dbraw/zinc/34/31/44/1255343144.db2.gz QSZKPLDUKHSNRX-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448462 1255844515 /nfs/dbraw/zinc/84/45/15/1255844515.db2.gz JUFJJGTXCOZKNJ-UYAOXDASSA-N 2 2 343.471 2.570 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448462 1255844528 /nfs/dbraw/zinc/84/45/28/1255844528.db2.gz JUFJJGTXCOZKNJ-UYAOXDASSA-N 2 2 343.471 2.570 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654804 1256369419 /nfs/dbraw/zinc/36/94/19/1256369419.db2.gz JVXFURRQBPBWED-UYAOXDASSA-N 2 2 344.503 2.990 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654804 1256369423 /nfs/dbraw/zinc/36/94/23/1256369423.db2.gz JVXFURRQBPBWED-UYAOXDASSA-N 2 2 344.503 2.990 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997649045 1258166213 /nfs/dbraw/zinc/16/62/13/1258166213.db2.gz NYNCZCSXKGWMNP-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997648943 1258166314 /nfs/dbraw/zinc/16/63/14/1258166314.db2.gz LKFVASAJSSPCHK-YOEHRIQHSA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997648943 1258166317 /nfs/dbraw/zinc/16/63/17/1258166317.db2.gz LKFVASAJSSPCHK-YOEHRIQHSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997762383 1258372713 /nfs/dbraw/zinc/37/27/13/1258372713.db2.gz KDOAKFHIXPPOFY-CGTJXYLNSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998048274 1259015117 /nfs/dbraw/zinc/01/51/17/1259015117.db2.gz VMCYNYMNVJFBOZ-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998048274 1259015123 /nfs/dbraw/zinc/01/51/23/1259015123.db2.gz VMCYNYMNVJFBOZ-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045119 1259017558 /nfs/dbraw/zinc/01/75/58/1259017558.db2.gz JGGHGAXTRYHTQB-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045119 1259017565 /nfs/dbraw/zinc/01/75/65/1259017565.db2.gz JGGHGAXTRYHTQB-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998047632 1259024189 /nfs/dbraw/zinc/02/41/89/1259024189.db2.gz RCISTHLVROVBAC-QGZVFWFLSA-N 2 2 338.455 2.903 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000998047632 1259024194 /nfs/dbraw/zinc/02/41/94/1259024194.db2.gz RCISTHLVROVBAC-QGZVFWFLSA-N 2 2 338.455 2.903 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052866 1259035757 /nfs/dbraw/zinc/03/57/57/1259035757.db2.gz QOKZIOJTXGFQMA-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052866 1259035769 /nfs/dbraw/zinc/03/57/69/1259035769.db2.gz QOKZIOJTXGFQMA-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998061898 1259044233 /nfs/dbraw/zinc/04/42/33/1259044233.db2.gz AHHVBEAJHOMWGE-INIZCTEOSA-N 2 2 326.444 2.837 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998061898 1259044236 /nfs/dbraw/zinc/04/42/36/1259044236.db2.gz AHHVBEAJHOMWGE-INIZCTEOSA-N 2 2 326.444 2.837 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117880 1259128783 /nfs/dbraw/zinc/12/87/83/1259128783.db2.gz UPZPHKIVWYPPKY-HOTGVXAUSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998117880 1259128784 /nfs/dbraw/zinc/12/87/84/1259128784.db2.gz UPZPHKIVWYPPKY-HOTGVXAUSA-N 2 2 330.476 2.719 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119065 1259130351 /nfs/dbraw/zinc/13/03/51/1259130351.db2.gz ZERNVXCXNNAMEA-DLBZAZTESA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119065 1259130352 /nfs/dbraw/zinc/13/03/52/1259130352.db2.gz ZERNVXCXNNAMEA-DLBZAZTESA-N 2 2 342.487 2.556 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998115959 1259131151 /nfs/dbraw/zinc/13/11/51/1259131151.db2.gz MFVFNORCPIAVAR-DLBZAZTESA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999824910 1260940156 /nfs/dbraw/zinc/94/01/56/1260940156.db2.gz ZIHIJRYPOOXFFS-INIZCTEOSA-N 2 2 344.846 2.819 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001078655863 1262108209 /nfs/dbraw/zinc/10/82/09/1262108209.db2.gz BCMLZYJDUSKTJI-CVEARBPZSA-N 2 2 330.476 2.520 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001171069192 1278295932 /nfs/dbraw/zinc/29/59/32/1278295932.db2.gz BLSFAQMNRPQNLN-SFHVURJKSA-N 2 2 342.443 2.570 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004459258 1267098258 /nfs/dbraw/zinc/09/82/58/1267098258.db2.gz RZNHEJAKUYVWOM-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004459258 1267098270 /nfs/dbraw/zinc/09/82/70/1267098270.db2.gz RZNHEJAKUYVWOM-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004459258 1267098280 /nfs/dbraw/zinc/09/82/80/1267098280.db2.gz RZNHEJAKUYVWOM-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004459258 1267098292 /nfs/dbraw/zinc/09/82/92/1267098292.db2.gz RZNHEJAKUYVWOM-LMMKCTJWSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085327285 1267162112 /nfs/dbraw/zinc/16/21/12/1267162112.db2.gz HLZPRYMWMDVGTQ-BFHYXJOUSA-N 2 2 336.867 2.599 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497444 1267164159 /nfs/dbraw/zinc/16/41/59/1267164159.db2.gz JBPLWRDMJRUKGW-SFHVURJKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497444 1267164161 /nfs/dbraw/zinc/16/41/61/1267164161.db2.gz JBPLWRDMJRUKGW-SFHVURJKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539932 1267280961 /nfs/dbraw/zinc/28/09/61/1267280961.db2.gz JCRQAYKIGUOGGJ-WMZOPIPTSA-N 2 2 342.487 2.719 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001004539932 1267280970 /nfs/dbraw/zinc/28/09/70/1267280970.db2.gz JCRQAYKIGUOGGJ-WMZOPIPTSA-N 2 2 342.487 2.719 20 30 EFEDLP N#Cc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000073803871 1267322833 /nfs/dbraw/zinc/32/28/33/1267322833.db2.gz UCORCQNAHYQICR-UHFFFAOYSA-N 2 2 334.467 2.860 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581003 1267329553 /nfs/dbraw/zinc/32/95/53/1267329553.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581003 1267329563 /nfs/dbraw/zinc/32/95/63/1267329563.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581003 1267329572 /nfs/dbraw/zinc/32/95/72/1267329572.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581003 1267329583 /nfs/dbraw/zinc/32/95/83/1267329583.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581004 1267330570 /nfs/dbraw/zinc/33/05/70/1267330570.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581004 1267330583 /nfs/dbraw/zinc/33/05/83/1267330583.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581004 1267330596 /nfs/dbraw/zinc/33/05/96/1267330596.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581004 1267330601 /nfs/dbraw/zinc/33/06/01/1267330601.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146806 1267355435 /nfs/dbraw/zinc/35/54/35/1267355435.db2.gz QODGVNJEBZYQNX-IAGOWNOFSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146806 1267355440 /nfs/dbraw/zinc/35/54/40/1267355440.db2.gz QODGVNJEBZYQNX-IAGOWNOFSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033146806 1267355452 /nfs/dbraw/zinc/35/54/52/1267355452.db2.gz QODGVNJEBZYQNX-IAGOWNOFSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033146806 1267355461 /nfs/dbraw/zinc/35/54/61/1267355461.db2.gz QODGVNJEBZYQNX-IAGOWNOFSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004608707 1267393512 /nfs/dbraw/zinc/39/35/12/1267393512.db2.gz BBWUQSFBXIXLKP-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004608707 1267393523 /nfs/dbraw/zinc/39/35/23/1267393523.db2.gz BBWUQSFBXIXLKP-LJQANCHMSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609825 1267396565 /nfs/dbraw/zinc/39/65/65/1267396565.db2.gz KMGXBSILGZMZCB-SFHVURJKSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609825 1267396575 /nfs/dbraw/zinc/39/65/75/1267396575.db2.gz KMGXBSILGZMZCB-SFHVURJKSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001168746235 1267841366 /nfs/dbraw/zinc/84/13/66/1267841366.db2.gz GGXNGGGZTQVKQU-GOSISDBHSA-N 3 2 327.476 2.604 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001168746235 1267841382 /nfs/dbraw/zinc/84/13/82/1267841382.db2.gz GGXNGGGZTQVKQU-GOSISDBHSA-N 3 2 327.476 2.604 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815643 1268846560 /nfs/dbraw/zinc/84/65/60/1268846560.db2.gz IVTIKRNJJBECPF-KURKYZTESA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815643 1268846572 /nfs/dbraw/zinc/84/65/72/1268846572.db2.gz IVTIKRNJJBECPF-KURKYZTESA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815643 1268846583 /nfs/dbraw/zinc/84/65/83/1268846583.db2.gz IVTIKRNJJBECPF-KURKYZTESA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815643 1268846591 /nfs/dbraw/zinc/84/65/91/1268846591.db2.gz IVTIKRNJJBECPF-KURKYZTESA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684537 1269793093 /nfs/dbraw/zinc/79/30/93/1269793093.db2.gz LDQVKPGYUWCSSO-KRWDZBQOSA-N 2 2 335.879 2.647 20 30 EFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](C#N)CCC#N)CC2)cc1 ZINC000743480976 1270590917 /nfs/dbraw/zinc/59/09/17/1270590917.db2.gz MHMGHEJCOQTLBU-INIZCTEOSA-N 2 2 325.460 2.755 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034239410 1271439751 /nfs/dbraw/zinc/43/97/51/1271439751.db2.gz KJJSIXZAAQFBQY-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034239410 1271439758 /nfs/dbraw/zinc/43/97/58/1271439758.db2.gz KJJSIXZAAQFBQY-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034239410 1271439760 /nfs/dbraw/zinc/43/97/60/1271439760.db2.gz KJJSIXZAAQFBQY-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034239410 1271439766 /nfs/dbraw/zinc/43/97/66/1271439766.db2.gz KJJSIXZAAQFBQY-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543377 1272592548 /nfs/dbraw/zinc/59/25/48/1272592548.db2.gz WWGXLNIXOFEUAI-ZWOKBUDYSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543377 1272592557 /nfs/dbraw/zinc/59/25/57/1272592557.db2.gz WWGXLNIXOFEUAI-ZWOKBUDYSA-N 2 2 344.503 2.773 20 30 EFEDLP CC[NH+]1CCC([NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)CC1 ZINC001169265742 1272755114 /nfs/dbraw/zinc/75/51/14/1272755114.db2.gz RDQDGMDCQYERPS-UHFFFAOYSA-N 2 2 343.471 2.894 20 30 EFEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730430 1273418670 /nfs/dbraw/zinc/41/86/70/1273418670.db2.gz NSVTZBUQTUMSCX-KSZLIROESA-N 2 2 325.456 2.613 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835317 1273527333 /nfs/dbraw/zinc/52/73/33/1273527333.db2.gz ORKWSJITLBGWRJ-KSZLIROESA-N 2 2 330.476 2.599 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835521 1273527557 /nfs/dbraw/zinc/52/75/57/1273527557.db2.gz TXQGKRRUGPNOFG-BZSNNMDCSA-N 2 2 332.492 2.823 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035204647 1273781140 /nfs/dbraw/zinc/78/11/40/1273781140.db2.gz PLTLLFQRUHJULR-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035204647 1273781147 /nfs/dbraw/zinc/78/11/47/1273781147.db2.gz PLTLLFQRUHJULR-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222885 1273833559 /nfs/dbraw/zinc/83/35/59/1273833559.db2.gz GITBJKVGAZLSBG-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035222885 1273833572 /nfs/dbraw/zinc/83/35/72/1273833572.db2.gz GITBJKVGAZLSBG-MRXNPFEDSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035244792 1273917048 /nfs/dbraw/zinc/91/70/48/1273917048.db2.gz CJDCAIFKLUTQGJ-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035244792 1273917056 /nfs/dbraw/zinc/91/70/56/1273917056.db2.gz CJDCAIFKLUTQGJ-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC/C=C\CCC ZINC001109414674 1274256453 /nfs/dbraw/zinc/25/64/53/1274256453.db2.gz GDKXQPOIYCUKRT-CARIKJKMSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CCC ZINC001109414674 1274256462 /nfs/dbraw/zinc/25/64/62/1274256462.db2.gz GDKXQPOIYCUKRT-CARIKJKMSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C\CCC ZINC001109414674 1274256465 /nfs/dbraw/zinc/25/64/65/1274256465.db2.gz GDKXQPOIYCUKRT-CARIKJKMSA-N 2 2 343.515 2.552 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC/C=C\CCC ZINC001109414674 1274256469 /nfs/dbraw/zinc/25/64/69/1274256469.db2.gz GDKXQPOIYCUKRT-CARIKJKMSA-N 2 2 343.515 2.552 20 30 EFEDLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1ccc(C#N)s1 ZINC001170199562 1278907153 /nfs/dbraw/zinc/90/71/53/1278907153.db2.gz UGQYKOHSVVVYFL-UHFFFAOYSA-N 2 2 342.472 2.505 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563378 1275187332 /nfs/dbraw/zinc/18/73/32/1275187332.db2.gz SMSRGDHUJMBJSY-JXFKEZNVSA-N 2 2 344.503 2.872 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590043 1275343656 /nfs/dbraw/zinc/34/36/56/1275343656.db2.gz AAEKUHZQDDZCOX-ICSRJNTNSA-N 2 2 344.503 2.848 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001036306610 1275427317 /nfs/dbraw/zinc/42/73/17/1275427317.db2.gz XYTKSFVBVDFFNH-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001036306610 1275427320 /nfs/dbraw/zinc/42/73/20/1275427320.db2.gz XYTKSFVBVDFFNH-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817916701 1276375793 /nfs/dbraw/zinc/37/57/93/1276375793.db2.gz AOFNRXNZIJGCOK-OIISXLGYSA-N 2 2 331.460 2.996 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819023881 1276593003 /nfs/dbraw/zinc/59/30/03/1276593003.db2.gz KXICQSKFTODUNS-MRXNPFEDSA-N 2 2 344.377 2.859 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819024418 1276594235 /nfs/dbraw/zinc/59/42/35/1276594235.db2.gz QERMSCMEXLUMIB-MRXNPFEDSA-N 2 2 339.277 2.723 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348229 1277636787 /nfs/dbraw/zinc/63/67/87/1277636787.db2.gz DGDJCGPNBDUSAM-SFHVURJKSA-N 2 2 346.519 2.869 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348480 1277637929 /nfs/dbraw/zinc/63/79/29/1277637929.db2.gz PFIHYKCYPGAMDA-GOSISDBHSA-N 2 2 344.503 2.645 20 30 EFEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001144579090 1279836448 /nfs/dbraw/zinc/83/64/48/1279836448.db2.gz XYBTZPVWODDOIO-IBGZPJMESA-N 2 2 340.467 2.517 20 30 EFEDLP C#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001144579090 1279836461 /nfs/dbraw/zinc/83/64/61/1279836461.db2.gz XYBTZPVWODDOIO-IBGZPJMESA-N 2 2 340.467 2.517 20 30 EFEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001144579091 1279837180 /nfs/dbraw/zinc/83/71/80/1279837180.db2.gz XYBTZPVWODDOIO-LJQANCHMSA-N 2 2 340.467 2.517 20 30 EFEDLP C#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001144579091 1279837188 /nfs/dbraw/zinc/83/71/88/1279837188.db2.gz XYBTZPVWODDOIO-LJQANCHMSA-N 2 2 340.467 2.517 20 30 EFEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001091166790 1279864389 /nfs/dbraw/zinc/86/43/89/1279864389.db2.gz RKHYAMGGOHPOEU-UHFFFAOYSA-N 2 2 344.846 2.723 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001171211592 1280022976 /nfs/dbraw/zinc/02/29/76/1280022976.db2.gz FKDCPQGGLQVQOI-ZPMCFJSWSA-N 2 2 346.478 2.948 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146562865 1280943065 /nfs/dbraw/zinc/94/30/65/1280943065.db2.gz RGQLCNJJCAUDPG-HOTGVXAUSA-N 2 2 349.544 2.945 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146562865 1280943072 /nfs/dbraw/zinc/94/30/72/1280943072.db2.gz RGQLCNJJCAUDPG-HOTGVXAUSA-N 2 2 349.544 2.945 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029688 1281094100 /nfs/dbraw/zinc/09/41/00/1281094100.db2.gz LRUKTOFYFABBRQ-CVEARBPZSA-N 2 2 347.906 2.732 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670430 1281369766 /nfs/dbraw/zinc/36/97/66/1281369766.db2.gz NBZDSSDFRDZAEV-XLIONFOSSA-N 2 2 338.455 2.613 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670430 1281369772 /nfs/dbraw/zinc/36/97/72/1281369772.db2.gz NBZDSSDFRDZAEV-XLIONFOSSA-N 2 2 338.455 2.613 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935061 1281954863 /nfs/dbraw/zinc/95/48/63/1281954863.db2.gz IALGWAGIRPQZOR-QGZVFWFLSA-N 2 2 330.476 2.552 20 30 EFEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946174 1281983922 /nfs/dbraw/zinc/98/39/22/1281983922.db2.gz SATCIZOTKLPHCA-QZTJIDSGSA-N 2 2 342.487 2.561 20 30 EFEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC001086928436 1281991383 /nfs/dbraw/zinc/99/13/83/1281991383.db2.gz DQPVVXNPPGSLEE-MRXNPFEDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785838 1282108786 /nfs/dbraw/zinc/10/87/86/1282108786.db2.gz NXRSBIOAMGCOHQ-KDOFPFPSSA-N 2 2 344.846 2.709 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785838 1282108799 /nfs/dbraw/zinc/10/87/99/1282108799.db2.gz NXRSBIOAMGCOHQ-KDOFPFPSSA-N 2 2 344.846 2.709 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785684 1282111662 /nfs/dbraw/zinc/11/16/62/1282111662.db2.gz LNLJGWBWDAHXGW-UZLBHIALSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785684 1282111672 /nfs/dbraw/zinc/11/16/72/1282111672.db2.gz LNLJGWBWDAHXGW-UZLBHIALSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098233 1287594036 /nfs/dbraw/zinc/59/40/36/1287594036.db2.gz VPUYLGKGBBIWIW-JKSUJKDBSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098227 1287594048 /nfs/dbraw/zinc/59/40/48/1287594048.db2.gz VPUYLGKGBBIWIW-CVEARBPZSA-N 2 2 326.444 2.935 20 30 EFEDLP C=CCCC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132049524 1282848952 /nfs/dbraw/zinc/84/89/52/1282848952.db2.gz DBAPWOASUMEERG-IAGOWNOFSA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001132049524 1282848962 /nfs/dbraw/zinc/84/89/62/1282848962.db2.gz DBAPWOASUMEERG-IAGOWNOFSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092820748 1283046538 /nfs/dbraw/zinc/04/65/38/1283046538.db2.gz KSUIQYDOEZAFCS-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001092820748 1283046547 /nfs/dbraw/zinc/04/65/47/1283046547.db2.gz KSUIQYDOEZAFCS-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211689 1283139948 /nfs/dbraw/zinc/13/99/48/1283139948.db2.gz QGQGPQYJLVESNV-JKSUJKDBSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211689 1283139955 /nfs/dbraw/zinc/13/99/55/1283139955.db2.gz QGQGPQYJLVESNV-JKSUJKDBSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211687 1283140151 /nfs/dbraw/zinc/14/01/51/1283140151.db2.gz QGQGPQYJLVESNV-HZPDHXFCSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211687 1283140154 /nfs/dbraw/zinc/14/01/54/1283140154.db2.gz QGQGPQYJLVESNV-HZPDHXFCSA-N 2 2 341.927 2.973 20 30 EFEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175992890 1287638533 /nfs/dbraw/zinc/63/85/33/1287638533.db2.gz BHQKSFMLKPNLFR-KRWDZBQOSA-N 2 2 338.455 2.774 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423556 1283524016 /nfs/dbraw/zinc/52/40/16/1283524016.db2.gz AJOQCBYFDKNBOV-DLBZAZTESA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132423556 1283524023 /nfs/dbraw/zinc/52/40/23/1283524023.db2.gz AJOQCBYFDKNBOV-DLBZAZTESA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444982 1283610495 /nfs/dbraw/zinc/61/04/95/1283610495.db2.gz JPHRWWLZRZOCRP-DOTOQJQBSA-N 2 2 332.492 2.976 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444982 1283610508 /nfs/dbraw/zinc/61/05/08/1283610508.db2.gz JPHRWWLZRZOCRP-DOTOQJQBSA-N 2 2 332.492 2.976 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671874 /nfs/dbraw/zinc/67/18/74/1287671874.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671878 /nfs/dbraw/zinc/67/18/78/1287671878.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671882 /nfs/dbraw/zinc/67/18/82/1287671882.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671885 /nfs/dbraw/zinc/67/18/85/1287671885.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815652811 1287671957 /nfs/dbraw/zinc/67/19/57/1287671957.db2.gz VBHFWPFQBUFLCE-INIZCTEOSA-N 2 2 349.906 2.782 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815652811 1287671960 /nfs/dbraw/zinc/67/19/60/1287671960.db2.gz VBHFWPFQBUFLCE-INIZCTEOSA-N 2 2 349.906 2.782 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000815652621 1287672083 /nfs/dbraw/zinc/67/20/83/1287672083.db2.gz JYWKQHGRUSVBBM-LBPRGKRZSA-N 2 2 325.250 2.760 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000815652621 1287672084 /nfs/dbraw/zinc/67/20/84/1287672084.db2.gz JYWKQHGRUSVBBM-LBPRGKRZSA-N 2 2 325.250 2.760 20 30 EFEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(F)c(-n3cc[nH+]c3)c2)cc1 ZINC001170989477 1289017863 /nfs/dbraw/zinc/01/78/63/1289017863.db2.gz XSRGMSLAUYWZAF-UHFFFAOYSA-N 2 2 338.342 2.835 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132925012 1284474284 /nfs/dbraw/zinc/47/42/84/1284474284.db2.gz SXLKIDUAYZFOHA-SJLPKXTDSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133194823 1284973156 /nfs/dbraw/zinc/97/31/56/1284973156.db2.gz LODKKSHBGQYPGD-IRXDYDNUSA-N 2 2 332.492 2.773 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195019 1284973762 /nfs/dbraw/zinc/97/37/62/1284973762.db2.gz NYIUANHRNYOCAZ-SJORKVTESA-N 2 2 334.508 2.997 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133242066 1285037105 /nfs/dbraw/zinc/03/71/05/1285037105.db2.gz NDNHTZJEHQGXFJ-JSGCOSHPSA-N 2 2 338.883 2.514 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133246282 1285047660 /nfs/dbraw/zinc/04/76/60/1285047660.db2.gz TVBNOGKWSKFYIU-CVEARBPZSA-N 2 2 332.492 2.728 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468093 1285094397 /nfs/dbraw/zinc/09/43/97/1285094397.db2.gz IRCUAKCNWVJOBW-YLJYHZDGSA-N 2 2 338.455 2.885 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468093 1285094405 /nfs/dbraw/zinc/09/44/05/1285094405.db2.gz IRCUAKCNWVJOBW-YLJYHZDGSA-N 2 2 338.455 2.885 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171597040 1285668682 /nfs/dbraw/zinc/66/86/82/1285668682.db2.gz UROCPSRZXKHBLL-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP Cc1ccc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747838761 1285683253 /nfs/dbraw/zinc/68/32/53/1285683253.db2.gz JRZQTBPBAXVCDG-UHFFFAOYSA-N 2 2 327.428 2.773 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896883 1285884316 /nfs/dbraw/zinc/88/43/16/1285884316.db2.gz WNWJNSDKDVMCBM-SJORKVTESA-N 2 2 334.508 2.972 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097969 1289041538 /nfs/dbraw/zinc/04/15/38/1289041538.db2.gz WIRMRRPTIYWYMO-KRWDZBQOSA-N 2 2 334.508 2.974 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094962859 1286303031 /nfs/dbraw/zinc/30/30/31/1286303031.db2.gz JPVDFFKWFYFPDB-ZNMIVQPWSA-N 2 2 344.846 2.670 20 30 EFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336127 1286529989 /nfs/dbraw/zinc/52/99/89/1286529989.db2.gz OVNCXLCUIQKCNU-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336127 1286529993 /nfs/dbraw/zinc/52/99/93/1286529993.db2.gz OVNCXLCUIQKCNU-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336127 1286529998 /nfs/dbraw/zinc/52/99/98/1286529998.db2.gz OVNCXLCUIQKCNU-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336127 1286530002 /nfs/dbraw/zinc/53/00/02/1286530002.db2.gz OVNCXLCUIQKCNU-MHJFOBGBSA-N 2 2 349.519 2.520 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177064058 1288250132 /nfs/dbraw/zinc/25/01/32/1288250132.db2.gz KTFSMPBNTDPXLB-SFHVURJKSA-N 2 2 334.508 2.751 20 30 EFEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680406 1288252869 /nfs/dbraw/zinc/25/28/69/1288252869.db2.gz VMTYCIOYFBHOCK-CVEARBPZSA-N 2 2 328.460 2.634 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177437134 1288439982 /nfs/dbraw/zinc/43/99/82/1288439982.db2.gz MYPNLAVWYDOYOW-MRXNPFEDSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177437134 1288439989 /nfs/dbraw/zinc/43/99/89/1288439989.db2.gz MYPNLAVWYDOYOW-MRXNPFEDSA-N 2 2 332.492 2.773 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177437615 1288441299 /nfs/dbraw/zinc/44/12/99/1288441299.db2.gz UZSUDXQSWQJNIE-KRWDZBQOSA-N 2 2 344.503 2.610 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177437615 1288441308 /nfs/dbraw/zinc/44/13/08/1288441308.db2.gz UZSUDXQSWQJNIE-KRWDZBQOSA-N 2 2 344.503 2.610 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177492138 1288448220 /nfs/dbraw/zinc/44/82/20/1288448220.db2.gz ALVHUNKPWYQQQE-UHFFFAOYSA-N 2 2 344.503 2.685 20 30 EFEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135917198 1288604043 /nfs/dbraw/zinc/60/40/43/1288604043.db2.gz ZGIVEVHZKVPYLK-HOTGVXAUSA-N 2 2 341.459 2.720 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178864221 1288947679 /nfs/dbraw/zinc/94/76/79/1288947679.db2.gz FYXWKKDJLZQFQQ-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165834873 1312689629 /nfs/dbraw/zinc/68/96/29/1312689629.db2.gz FHVSLVFOJBEYOV-SJORKVTESA-N 2 2 344.503 2.676 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705783 1289240130 /nfs/dbraw/zinc/24/01/30/1289240130.db2.gz NSGNXXGHGOPMGC-HNNXBMFYSA-N 2 2 326.872 2.853 20 30 EFEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820565 1289962504 /nfs/dbraw/zinc/96/25/04/1289962504.db2.gz QQVSNNGXQGHPPP-ZIFCJYIRSA-N 2 2 332.492 2.731 20 30 EFEDLP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182997540 1290283181 /nfs/dbraw/zinc/28/31/81/1290283181.db2.gz YWZXTEBEKTUBEI-VQIMIIECSA-N 2 2 334.508 2.997 20 30 EFEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184400032 1290455725 /nfs/dbraw/zinc/45/57/25/1290455725.db2.gz RGBGIUABZMSJPC-WMLDXEAASA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184654432 1290489712 /nfs/dbraw/zinc/48/97/12/1290489712.db2.gz WFMQASZEYMGMMK-IAGOWNOFSA-N 2 2 345.487 2.673 20 30 EFEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184850049 1290526268 /nfs/dbraw/zinc/52/62/68/1290526268.db2.gz BFTHKDYMFRANPS-CRAIPNDOSA-N 2 2 327.472 2.718 20 30 EFEDLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232844899 1312794762 /nfs/dbraw/zinc/79/47/62/1312794762.db2.gz BCLIYLUWHWMMKF-UHFFFAOYSA-N 2 2 334.533 2.859 20 30 EFEDLP CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875764818 1290644265 /nfs/dbraw/zinc/64/42/65/1290644265.db2.gz RJZXNVZNYQFZBT-GOSISDBHSA-N 2 2 338.540 2.767 20 30 EFEDLP CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875764818 1290644270 /nfs/dbraw/zinc/64/42/70/1290644270.db2.gz RJZXNVZNYQFZBT-GOSISDBHSA-N 2 2 338.540 2.767 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185490514 1290704653 /nfs/dbraw/zinc/70/46/53/1290704653.db2.gz AYSIAQCWRVFHGY-GXTWGEPZSA-N 2 2 338.883 2.514 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009051 1291105140 /nfs/dbraw/zinc/10/51/40/1291105140.db2.gz GDBNDLRLKIWHFK-CVEARBPZSA-N 2 2 337.508 2.918 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158945 1291334530 /nfs/dbraw/zinc/33/45/30/1291334530.db2.gz WFEPOLVDHLLHOR-FUHWJXTLSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158945 1291334540 /nfs/dbraw/zinc/33/45/40/1291334540.db2.gz WFEPOLVDHLLHOR-FUHWJXTLSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158945 1291334548 /nfs/dbraw/zinc/33/45/48/1291334548.db2.gz WFEPOLVDHLLHOR-FUHWJXTLSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158945 1291334556 /nfs/dbraw/zinc/33/45/56/1291334556.db2.gz WFEPOLVDHLLHOR-FUHWJXTLSA-N 2 2 332.492 2.845 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188246941 1291338000 /nfs/dbraw/zinc/33/80/00/1291338000.db2.gz PUUCFQBMFSGDBR-DODZYUBVSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188246941 1291338011 /nfs/dbraw/zinc/33/80/11/1291338011.db2.gz PUUCFQBMFSGDBR-DODZYUBVSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188246941 1291338020 /nfs/dbraw/zinc/33/80/20/1291338020.db2.gz PUUCFQBMFSGDBR-DODZYUBVSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188246941 1291338031 /nfs/dbraw/zinc/33/80/31/1291338031.db2.gz PUUCFQBMFSGDBR-DODZYUBVSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286208 1291366255 /nfs/dbraw/zinc/36/62/55/1291366255.db2.gz RNWBKLMJMFGNJN-RCCFBDPRSA-N 2 2 330.476 2.579 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286208 1291366262 /nfs/dbraw/zinc/36/62/62/1291366262.db2.gz RNWBKLMJMFGNJN-RCCFBDPRSA-N 2 2 330.476 2.579 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285773 1291366630 /nfs/dbraw/zinc/36/66/30/1291366630.db2.gz NOCMZOHQPMWMED-IPMKNSEASA-N 2 2 344.503 2.969 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188285773 1291366638 /nfs/dbraw/zinc/36/66/38/1291366638.db2.gz NOCMZOHQPMWMED-IPMKNSEASA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286559 1291367384 /nfs/dbraw/zinc/36/73/84/1291367384.db2.gz VXHZNLYEMNVUPA-IPMKNSEASA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286559 1291367395 /nfs/dbraw/zinc/36/73/95/1291367395.db2.gz VXHZNLYEMNVUPA-IPMKNSEASA-N 2 2 344.503 2.969 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511302 1291697926 /nfs/dbraw/zinc/69/79/26/1291697926.db2.gz IJUHSTZZLSPIJI-WOJBJXKFSA-N 2 2 327.472 2.843 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511302 1291697935 /nfs/dbraw/zinc/69/79/35/1291697935.db2.gz IJUHSTZZLSPIJI-WOJBJXKFSA-N 2 2 327.472 2.843 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016623702 1312887562 /nfs/dbraw/zinc/88/75/62/1312887562.db2.gz FXUKTANECSVZMF-QGZVFWFLSA-N 2 2 338.455 2.803 20 30 EFEDLP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614869 1291885784 /nfs/dbraw/zinc/88/57/84/1291885784.db2.gz SADXHKDKAACQMB-GOSISDBHSA-N 2 2 342.487 2.562 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC000957640160 1291944638 /nfs/dbraw/zinc/94/46/38/1291944638.db2.gz YEEXMDTVPHQSSO-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383936 1312918578 /nfs/dbraw/zinc/91/85/78/1312918578.db2.gz AYVZCQQHMVBZHE-HXUWFJFHSA-N 2 2 343.471 2.587 20 30 EFEDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383936 1312918582 /nfs/dbraw/zinc/91/85/82/1312918582.db2.gz AYVZCQQHMVBZHE-HXUWFJFHSA-N 2 2 343.471 2.587 20 30 EFEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383936 1312918584 /nfs/dbraw/zinc/91/85/84/1312918584.db2.gz AYVZCQQHMVBZHE-HXUWFJFHSA-N 2 2 343.471 2.587 20 30 EFEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383936 1312918587 /nfs/dbraw/zinc/91/85/87/1312918587.db2.gz AYVZCQQHMVBZHE-HXUWFJFHSA-N 2 2 343.471 2.587 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203531064 1312947823 /nfs/dbraw/zinc/94/78/23/1312947823.db2.gz OISYKSHSIYNUDB-HZPDHXFCSA-N 2 2 332.492 2.940 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513951 1312949445 /nfs/dbraw/zinc/94/94/45/1312949445.db2.gz XWWAFOCUNKIGHS-IRXDYDNUSA-N 2 2 345.512 2.512 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513951 1312949450 /nfs/dbraw/zinc/94/94/50/1312949450.db2.gz XWWAFOCUNKIGHS-IRXDYDNUSA-N 2 2 345.512 2.512 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095902499 1292930638 /nfs/dbraw/zinc/93/06/38/1292930638.db2.gz DBJCWLRVBXYNKO-YVSFHVDLSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095902499 1292930647 /nfs/dbraw/zinc/93/06/47/1292930647.db2.gz DBJCWLRVBXYNKO-YVSFHVDLSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095902499 1292930660 /nfs/dbraw/zinc/93/06/60/1292930660.db2.gz DBJCWLRVBXYNKO-YVSFHVDLSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095902499 1292930669 /nfs/dbraw/zinc/93/06/69/1292930669.db2.gz DBJCWLRVBXYNKO-YVSFHVDLSA-N 2 2 339.911 2.582 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605640 1312969080 /nfs/dbraw/zinc/96/90/80/1312969080.db2.gz LDZJYGUDLRXSGF-QZTJIDSGSA-N 2 2 346.519 2.950 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780110 1293038021 /nfs/dbraw/zinc/03/80/21/1293038021.db2.gz ZPLJDNKVKAYHOO-WMZOPIPTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192780110 1293038031 /nfs/dbraw/zinc/03/80/31/1293038031.db2.gz ZPLJDNKVKAYHOO-WMZOPIPTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780110 1293038038 /nfs/dbraw/zinc/03/80/38/1293038038.db2.gz ZPLJDNKVKAYHOO-WMZOPIPTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192780110 1293038047 /nfs/dbraw/zinc/03/80/47/1293038047.db2.gz ZPLJDNKVKAYHOO-WMZOPIPTSA-N 2 2 332.492 2.867 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193219897 1293199484 /nfs/dbraw/zinc/19/94/84/1293199484.db2.gz UJMQIEGPSOFGMV-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193219897 1293199488 /nfs/dbraw/zinc/19/94/88/1293199488.db2.gz UJMQIEGPSOFGMV-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544178 1312990519 /nfs/dbraw/zinc/99/05/19/1312990519.db2.gz BOPSGRCJKRGJHV-DLBZAZTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544178 1312990521 /nfs/dbraw/zinc/99/05/21/1312990521.db2.gz BOPSGRCJKRGJHV-DLBZAZTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544834 1312991213 /nfs/dbraw/zinc/99/12/13/1312991213.db2.gz GPJMGZHNPHUDNW-ROUUACIJSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544834 1312991216 /nfs/dbraw/zinc/99/12/16/1312991216.db2.gz GPJMGZHNPHUDNW-ROUUACIJSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463717 1293312829 /nfs/dbraw/zinc/31/28/29/1293312829.db2.gz XLJDDDZQZCFSQI-INIZCTEOSA-N 2 2 332.492 2.966 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463717 1293312836 /nfs/dbraw/zinc/31/28/36/1293312836.db2.gz XLJDDDZQZCFSQI-INIZCTEOSA-N 2 2 332.492 2.966 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798202 1293444410 /nfs/dbraw/zinc/44/44/10/1293444410.db2.gz ZZLRGRSLSCGTTA-SFHVURJKSA-N 2 2 334.508 2.856 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798202 1293444415 /nfs/dbraw/zinc/44/44/15/1293444415.db2.gz ZZLRGRSLSCGTTA-SFHVURJKSA-N 2 2 334.508 2.856 20 30 EFEDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758484 1313008056 /nfs/dbraw/zinc/00/80/56/1313008056.db2.gz ZRHRPNWZTOZRHB-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758484 1313008060 /nfs/dbraw/zinc/00/80/60/1313008060.db2.gz ZRHRPNWZTOZRHB-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758484 1313008064 /nfs/dbraw/zinc/00/80/64/1313008064.db2.gz ZRHRPNWZTOZRHB-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758484 1313008067 /nfs/dbraw/zinc/00/80/67/1313008067.db2.gz ZRHRPNWZTOZRHB-HXUWFJFHSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758482 1313008083 /nfs/dbraw/zinc/00/80/83/1313008083.db2.gz ZRHRPNWZTOZRHB-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758482 1313008087 /nfs/dbraw/zinc/00/80/87/1313008087.db2.gz ZRHRPNWZTOZRHB-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758482 1313008091 /nfs/dbraw/zinc/00/80/91/1313008091.db2.gz ZRHRPNWZTOZRHB-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001203758482 1313008095 /nfs/dbraw/zinc/00/80/95/1313008095.db2.gz ZRHRPNWZTOZRHB-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001203794611 1293620399 /nfs/dbraw/zinc/62/03/99/1293620399.db2.gz FEYGOVQGMYFENT-UHFFFAOYSA-N 2 2 347.478 2.626 20 30 EFEDLP C=CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccncc1 ZINC000775635373 1293793801 /nfs/dbraw/zinc/79/38/01/1293793801.db2.gz WZGUXOVAIJFUGU-GOSISDBHSA-N 2 2 331.460 2.706 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001195907774 1294075742 /nfs/dbraw/zinc/07/57/42/1294075742.db2.gz PIOIIALZTHZQTE-KRWDZBQOSA-N 2 2 344.503 2.651 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001195907774 1294075747 /nfs/dbraw/zinc/07/57/47/1294075747.db2.gz PIOIIALZTHZQTE-KRWDZBQOSA-N 2 2 344.503 2.651 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203932644 1313050578 /nfs/dbraw/zinc/05/05/78/1313050578.db2.gz MMDLKYNIACWKRZ-QFBILLFUSA-N 2 2 344.503 2.620 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309865 1294186524 /nfs/dbraw/zinc/18/65/24/1294186524.db2.gz KCAAFDAVNCICGV-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309865 1294186528 /nfs/dbraw/zinc/18/65/28/1294186528.db2.gz KCAAFDAVNCICGV-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331763 1294200684 /nfs/dbraw/zinc/20/06/84/1294200684.db2.gz DSXSDBDCNOBCFF-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331763 1294200692 /nfs/dbraw/zinc/20/06/92/1294200692.db2.gz DSXSDBDCNOBCFF-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196339700 1294203317 /nfs/dbraw/zinc/20/33/17/1294203317.db2.gz BWFKYWLAFWUBHI-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196339700 1294203324 /nfs/dbraw/zinc/20/33/24/1294203324.db2.gz BWFKYWLAFWUBHI-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196349626 1294207750 /nfs/dbraw/zinc/20/77/50/1294207750.db2.gz LJZAELCMWISRPL-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196349626 1294207756 /nfs/dbraw/zinc/20/77/56/1294207756.db2.gz LJZAELCMWISRPL-SFHVURJKSA-N 2 2 346.519 2.950 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001196382760 1294218975 /nfs/dbraw/zinc/21/89/75/1294218975.db2.gz TYHQRYMPKKDPOS-UHFFFAOYSA-N 2 2 348.491 2.631 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001196382760 1294218979 /nfs/dbraw/zinc/21/89/79/1294218979.db2.gz TYHQRYMPKKDPOS-UHFFFAOYSA-N 2 2 348.491 2.631 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001197188016 1294465870 /nfs/dbraw/zinc/46/58/70/1294465870.db2.gz QYOYQYGCVMRRJO-QZTJIDSGSA-N 2 2 344.503 2.804 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001197188016 1294465874 /nfs/dbraw/zinc/46/58/74/1294465874.db2.gz QYOYQYGCVMRRJO-QZTJIDSGSA-N 2 2 344.503 2.804 20 30 EFEDLP Cc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000303775030 1294577253 /nfs/dbraw/zinc/57/72/53/1294577253.db2.gz GNBIKZYOWSZWTP-HZPDHXFCSA-N 2 2 332.492 2.918 20 30 EFEDLP CCc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303780769 1294580099 /nfs/dbraw/zinc/58/00/99/1294580099.db2.gz LPLDSGSGNMJFLA-GASCZTMLSA-N 2 2 332.492 2.863 20 30 EFEDLP CCc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303780769 1294580107 /nfs/dbraw/zinc/58/01/07/1294580107.db2.gz LPLDSGSGNMJFLA-GASCZTMLSA-N 2 2 332.492 2.863 20 30 EFEDLP COc1cccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000303791615 1294583017 /nfs/dbraw/zinc/58/30/17/1294583017.db2.gz XUNIGYHFIIBLPO-QGZVFWFLSA-N 2 2 330.407 2.864 20 30 EFEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccc(F)cc1 ZINC000303897232 1294599998 /nfs/dbraw/zinc/59/99/98/1294599998.db2.gz QIFXDSDMUPVKSU-GOSISDBHSA-N 2 2 328.435 2.575 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625397 1313103263 /nfs/dbraw/zinc/10/32/63/1313103263.db2.gz HAUBHVXPRDCISQ-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625397 1313103265 /nfs/dbraw/zinc/10/32/65/1313103265.db2.gz HAUBHVXPRDCISQ-UXHICEINSA-N 2 2 348.450 2.575 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625848 1313104448 /nfs/dbraw/zinc/10/44/48/1313104448.db2.gz IJBKKGTWAVQBOE-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625848 1313104451 /nfs/dbraw/zinc/10/44/51/1313104451.db2.gz IJBKKGTWAVQBOE-OALUTQOASA-N 2 2 336.439 2.737 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198002843 1294825123 /nfs/dbraw/zinc/82/51/23/1294825123.db2.gz VDRPEGOGLMNJDG-UHFFFAOYSA-N 2 2 332.492 2.633 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198002843 1294825130 /nfs/dbraw/zinc/82/51/30/1294825130.db2.gz VDRPEGOGLMNJDG-UHFFFAOYSA-N 2 2 332.492 2.633 20 30 EFEDLP CC(C)C[C@@H](C#N)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198035845 1294857651 /nfs/dbraw/zinc/85/76/51/1294857651.db2.gz DPANUMHHWTZJSE-IBGZPJMESA-N 2 2 344.503 2.738 20 30 EFEDLP CC(C)C[C@@H](C#N)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198035845 1294857664 /nfs/dbraw/zinc/85/76/64/1294857664.db2.gz DPANUMHHWTZJSE-IBGZPJMESA-N 2 2 344.503 2.738 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198129112 1294887703 /nfs/dbraw/zinc/88/77/03/1294887703.db2.gz HBJAUDKCEJZKRH-UHFFFAOYSA-N 2 2 327.900 2.539 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198129112 1294887718 /nfs/dbraw/zinc/88/77/18/1294887718.db2.gz HBJAUDKCEJZKRH-UHFFFAOYSA-N 2 2 327.900 2.539 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633405 1313114782 /nfs/dbraw/zinc/11/47/82/1313114782.db2.gz BGSKGFFGGUUVFC-CVEARBPZSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049633405 1313114787 /nfs/dbraw/zinc/11/47/87/1313114787.db2.gz BGSKGFFGGUUVFC-CVEARBPZSA-N 2 2 339.911 2.679 20 30 EFEDLP CCc1ccc([C@@H](CNC(NCc2ccco2)=[NH+]C)[NH+](C)C)cc1 ZINC000103337613 1295685809 /nfs/dbraw/zinc/68/58/09/1295685809.db2.gz FSBCLPDAMMKTIH-GOSISDBHSA-N 2 2 328.460 2.810 20 30 EFEDLP C(#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1)c1ccccc1 ZINC001234969657 1313214233 /nfs/dbraw/zinc/21/42/33/1313214233.db2.gz AYAFYBSHZFCFEC-FGZHOGPDSA-N 2 2 332.447 2.507 20 30 EFEDLP C(#Cc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1)c1ccccc1 ZINC001234969657 1313214237 /nfs/dbraw/zinc/21/42/37/1313214237.db2.gz AYAFYBSHZFCFEC-FGZHOGPDSA-N 2 2 332.447 2.507 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC001205251279 1313259664 /nfs/dbraw/zinc/25/96/64/1313259664.db2.gz KCRIVADMBCOHML-UHFFFAOYSA-N 2 2 331.479 2.926 20 30 EFEDLP C=CCOc1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235229829 1313270352 /nfs/dbraw/zinc/27/03/52/1313270352.db2.gz GEJXOPCRXZCKST-HOCLYGCPSA-N 2 2 326.362 2.835 20 30 EFEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235229829 1313270357 /nfs/dbraw/zinc/27/03/57/1313270357.db2.gz GEJXOPCRXZCKST-HOCLYGCPSA-N 2 2 326.362 2.835 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCCO1 ZINC001201031926 1296551216 /nfs/dbraw/zinc/55/12/16/1296551216.db2.gz CRMRSVGYVDXNOA-GOSISDBHSA-N 2 2 345.487 2.794 20 30 EFEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000960268180 1296674213 /nfs/dbraw/zinc/67/42/13/1296674213.db2.gz SYAJLGNJJATRLI-UYAOXDASSA-N 2 2 346.434 2.814 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201321232 1296726220 /nfs/dbraw/zinc/72/62/20/1296726220.db2.gz JBHHZGLVMBJNSS-KRWDZBQOSA-N 2 2 344.503 2.773 20 30 EFEDLP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776160846 1296760315 /nfs/dbraw/zinc/76/03/15/1296760315.db2.gz RZALNCOSVZLLHR-MRXNPFEDSA-N 2 2 335.455 2.533 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205516004 1313303029 /nfs/dbraw/zinc/30/30/29/1313303029.db2.gz JMFRKYSGIDTNDZ-INIZCTEOSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537326 1313307959 /nfs/dbraw/zinc/30/79/59/1313307959.db2.gz PHMKFPLDEZIPPP-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556454 1313312228 /nfs/dbraw/zinc/31/22/28/1313312228.db2.gz SPQNNCHJTUMLKN-KRWDZBQOSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556454 1313312232 /nfs/dbraw/zinc/31/22/32/1313312232.db2.gz SPQNNCHJTUMLKN-KRWDZBQOSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588825 1296947321 /nfs/dbraw/zinc/94/73/21/1296947321.db2.gz MDSFNLIBZOZQRH-HNNXBMFYSA-N 2 2 326.444 2.883 20 30 EFEDLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235530635 1313345689 /nfs/dbraw/zinc/34/56/89/1313345689.db2.gz WDODNNZMYXVPGG-UHFFFAOYSA-N 2 2 327.472 2.828 20 30 EFEDLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235530635 1313345693 /nfs/dbraw/zinc/34/56/93/1313345693.db2.gz WDODNNZMYXVPGG-UHFFFAOYSA-N 2 2 327.472 2.828 20 30 EFEDLP C=CCOCC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205731805 1313346144 /nfs/dbraw/zinc/34/61/44/1313346144.db2.gz HWWCDPXWZXXCQU-UHFFFAOYSA-N 2 2 345.487 2.651 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000106246148 1297138316 /nfs/dbraw/zinc/13/83/16/1297138316.db2.gz PTNVDEAWLMOZCE-UHFFFAOYSA-N 2 2 334.460 2.843 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001205783189 1313354745 /nfs/dbraw/zinc/35/47/45/1313354745.db2.gz NZDWSAYFBKRJML-UHFFFAOYSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631515 1313362318 /nfs/dbraw/zinc/36/23/18/1313362318.db2.gz ADFNCUCQJYTCLY-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP CN(C)/C=[NH+]/c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1C#N ZINC001205929095 1313376879 /nfs/dbraw/zinc/37/68/79/1313376879.db2.gz AHFDZQAPCUWSRQ-HZHRSRAPSA-N 2 2 333.439 2.856 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238800 1313424544 /nfs/dbraw/zinc/42/45/44/1313424544.db2.gz YRWMZLVAUSQPOG-MRXNPFEDSA-N 2 2 330.476 2.624 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238799 1313424632 /nfs/dbraw/zinc/42/46/32/1313424632.db2.gz YRWMZLVAUSQPOG-INIZCTEOSA-N 2 2 330.476 2.624 20 30 EFEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238432 1313424836 /nfs/dbraw/zinc/42/48/36/1313424836.db2.gz QRMHUZWAMDCAHC-INIZCTEOSA-N 2 2 330.476 2.624 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567780 1298031751 /nfs/dbraw/zinc/03/17/51/1298031751.db2.gz XIHSQCZCQWDQBM-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948567780 1298031760 /nfs/dbraw/zinc/03/17/60/1298031760.db2.gz XIHSQCZCQWDQBM-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049909774 1313470775 /nfs/dbraw/zinc/47/07/75/1313470775.db2.gz CIDRYPIUYMUVBE-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049909774 1313470779 /nfs/dbraw/zinc/47/07/79/1313470779.db2.gz CIDRYPIUYMUVBE-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049909774 1313470782 /nfs/dbraw/zinc/47/07/82/1313470782.db2.gz CIDRYPIUYMUVBE-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049909774 1313470784 /nfs/dbraw/zinc/47/07/84/1313470784.db2.gz CIDRYPIUYMUVBE-GVDBMIGSSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533235 1313472602 /nfs/dbraw/zinc/47/26/02/1313472602.db2.gz BPECGEXADYZNDL-CVEARBPZSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533235 1313472604 /nfs/dbraw/zinc/47/26/04/1313472604.db2.gz BPECGEXADYZNDL-CVEARBPZSA-N 2 2 332.492 2.771 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001206588149 1313479873 /nfs/dbraw/zinc/47/98/73/1313479873.db2.gz XGHMZFUXGPJTDT-UHFFFAOYSA-N 2 2 340.471 2.590 20 30 EFEDLP C=CCC[NH2+]CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001206761764 1313503628 /nfs/dbraw/zinc/50/36/28/1313503628.db2.gz HIIYPMQZCTXGGF-UHFFFAOYSA-N 2 2 338.455 2.890 20 30 EFEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)NC1CCCCCC1 ZINC000305746152 1298516557 /nfs/dbraw/zinc/51/65/57/1298516557.db2.gz POSAGKQNICFROE-UHFFFAOYSA-N 2 2 336.524 2.649 20 30 EFEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001017774574 1313522872 /nfs/dbraw/zinc/52/28/72/1313522872.db2.gz SGBWKAKMGDMGPJ-KDURUIRLSA-N 2 2 336.439 2.737 20 30 EFEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001017774574 1313522874 /nfs/dbraw/zinc/52/28/74/1313522874.db2.gz SGBWKAKMGDMGPJ-KDURUIRLSA-N 2 2 336.439 2.737 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961362117 1298615719 /nfs/dbraw/zinc/61/57/19/1298615719.db2.gz USMFNMCCSXZQFQ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961362117 1298615734 /nfs/dbraw/zinc/61/57/34/1298615734.db2.gz USMFNMCCSXZQFQ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425691 1298733793 /nfs/dbraw/zinc/73/37/93/1298733793.db2.gz ZLOMSTMBMBDNGB-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425691 1298733800 /nfs/dbraw/zinc/73/38/00/1298733800.db2.gz ZLOMSTMBMBDNGB-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961425691 1298733810 /nfs/dbraw/zinc/73/38/10/1298733810.db2.gz ZLOMSTMBMBDNGB-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961425691 1298733818 /nfs/dbraw/zinc/73/38/18/1298733818.db2.gz ZLOMSTMBMBDNGB-WMZOPIPTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001206948979 1313567272 /nfs/dbraw/zinc/56/72/72/1313567272.db2.gz KYCLDFWXNQRJGA-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001206948979 1313567275 /nfs/dbraw/zinc/56/72/75/1313567275.db2.gz KYCLDFWXNQRJGA-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C#CCOc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001237155534 1313594765 /nfs/dbraw/zinc/59/47/65/1313594765.db2.gz RHFGNULTOZNKEZ-GOSISDBHSA-N 2 2 328.456 2.814 20 30 EFEDLP C#CCOc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001237155534 1313594768 /nfs/dbraw/zinc/59/47/68/1313594768.db2.gz RHFGNULTOZNKEZ-GOSISDBHSA-N 2 2 328.456 2.814 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCC2CC2)C3)cc1C#N ZINC001276513253 1313631542 /nfs/dbraw/zinc/63/15/42/1313631542.db2.gz KUIOAHXPJLPZIR-FQEVSTJZSA-N 2 2 326.488 2.985 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCC2CC2)C3)cc1C#N ZINC001276513253 1313631546 /nfs/dbraw/zinc/63/15/46/1313631546.db2.gz KUIOAHXPJLPZIR-FQEVSTJZSA-N 2 2 326.488 2.985 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCC2CC2)C3)cc1C#N ZINC001276513253 1313631550 /nfs/dbraw/zinc/63/15/50/1313631550.db2.gz KUIOAHXPJLPZIR-FQEVSTJZSA-N 2 2 326.488 2.985 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCC2CC2)C3)cc1C#N ZINC001276513253 1313631554 /nfs/dbraw/zinc/63/15/54/1313631554.db2.gz KUIOAHXPJLPZIR-FQEVSTJZSA-N 2 2 326.488 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963298975 1300543882 /nfs/dbraw/zinc/54/38/82/1300543882.db2.gz QFZBGWHVPQIYNT-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963298975 1300543888 /nfs/dbraw/zinc/54/38/88/1300543888.db2.gz QFZBGWHVPQIYNT-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321243 1300594199 /nfs/dbraw/zinc/59/41/99/1300594199.db2.gz CDQRVULOZTXTAL-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321243 1300594206 /nfs/dbraw/zinc/59/42/06/1300594206.db2.gz CDQRVULOZTXTAL-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337311 1300632132 /nfs/dbraw/zinc/63/21/32/1300632132.db2.gz NQGLQJSXSAWPMU-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337311 1300632140 /nfs/dbraw/zinc/63/21/40/1300632140.db2.gz NQGLQJSXSAWPMU-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337101 1300632413 /nfs/dbraw/zinc/63/24/13/1300632413.db2.gz KSZHLFBZGMGDFK-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337101 1300632420 /nfs/dbraw/zinc/63/24/20/1300632420.db2.gz KSZHLFBZGMGDFK-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339304 1300639351 /nfs/dbraw/zinc/63/93/51/1300639351.db2.gz GKXIFQPAOJZEOR-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339304 1300639368 /nfs/dbraw/zinc/63/93/68/1300639368.db2.gz GKXIFQPAOJZEOR-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374941 1300723065 /nfs/dbraw/zinc/72/30/65/1300723065.db2.gz SRAQWQZSCOVPMD-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374941 1300723069 /nfs/dbraw/zinc/72/30/69/1300723069.db2.gz SRAQWQZSCOVPMD-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386343 1300746625 /nfs/dbraw/zinc/74/66/25/1300746625.db2.gz OMKJVCNWZNNUOE-HOTGVXAUSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386343 1300746630 /nfs/dbraw/zinc/74/66/30/1300746630.db2.gz OMKJVCNWZNNUOE-HOTGVXAUSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207601871 1313728009 /nfs/dbraw/zinc/72/80/09/1313728009.db2.gz KYWQMIJVHSYVDH-YFHUEUNASA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207601871 1313728012 /nfs/dbraw/zinc/72/80/12/1313728012.db2.gz KYWQMIJVHSYVDH-YFHUEUNASA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001207601871 1313728014 /nfs/dbraw/zinc/72/80/14/1313728014.db2.gz KYWQMIJVHSYVDH-YFHUEUNASA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001207601871 1313728018 /nfs/dbraw/zinc/72/80/18/1313728018.db2.gz KYWQMIJVHSYVDH-YFHUEUNASA-N 2 2 330.476 2.696 20 30 EFEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165815 1313734937 /nfs/dbraw/zinc/73/49/37/1313734937.db2.gz BAVWPJFLRNZUJY-OAQYLSRUSA-N 2 2 349.482 2.812 20 30 EFEDLP N#Cc1ccc(CC[N@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165815 1313734941 /nfs/dbraw/zinc/73/49/41/1313734941.db2.gz BAVWPJFLRNZUJY-OAQYLSRUSA-N 2 2 349.482 2.812 20 30 EFEDLP N#Cc1ccc(CC[NH+]2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165815 1313734943 /nfs/dbraw/zinc/73/49/43/1313734943.db2.gz BAVWPJFLRNZUJY-OAQYLSRUSA-N 2 2 349.482 2.812 20 30 EFEDLP N#Cc1ccc(CC[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001278165815 1313734946 /nfs/dbraw/zinc/73/49/46/1313734946.db2.gz BAVWPJFLRNZUJY-OAQYLSRUSA-N 2 2 349.482 2.812 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659505 1313743740 /nfs/dbraw/zinc/74/37/40/1313743740.db2.gz ADWBVERAMMEXOY-KZNAEPCWSA-N 2 2 332.492 2.873 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659505 1313743741 /nfs/dbraw/zinc/74/37/41/1313743741.db2.gz ADWBVERAMMEXOY-KZNAEPCWSA-N 2 2 332.492 2.873 20 30 EFEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000964030438 1301624347 /nfs/dbraw/zinc/62/43/47/1301624347.db2.gz NFQUMUIPBSFTBO-UHFFFAOYSA-N 2 2 330.476 2.520 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208206588 1313869527 /nfs/dbraw/zinc/86/95/27/1313869527.db2.gz JKPUZRMRMRGPSU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208206588 1313869531 /nfs/dbraw/zinc/86/95/31/1313869531.db2.gz JKPUZRMRMRGPSU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097220699 1313915360 /nfs/dbraw/zinc/91/53/60/1313915360.db2.gz ZDKRUZAWUKQBTF-HZMVEIRTSA-N 2 2 339.911 2.723 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220699 1313915364 /nfs/dbraw/zinc/91/53/64/1313915364.db2.gz ZDKRUZAWUKQBTF-HZMVEIRTSA-N 2 2 339.911 2.723 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220699 1313915366 /nfs/dbraw/zinc/91/53/66/1313915366.db2.gz ZDKRUZAWUKQBTF-HZMVEIRTSA-N 2 2 339.911 2.723 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220699 1313915370 /nfs/dbraw/zinc/91/53/70/1313915370.db2.gz ZDKRUZAWUKQBTF-HZMVEIRTSA-N 2 2 339.911 2.723 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407700 1313922427 /nfs/dbraw/zinc/92/24/27/1313922427.db2.gz HMWUZKVFIWNCJF-WBVHZDCISA-N 2 2 331.460 2.568 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103364 1303643289 /nfs/dbraw/zinc/64/32/89/1303643289.db2.gz LEZBTUKVDCQQHW-WMLDXEAASA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966103364 1303643297 /nfs/dbraw/zinc/64/32/97/1303643297.db2.gz LEZBTUKVDCQQHW-WMLDXEAASA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435917 1313928088 /nfs/dbraw/zinc/92/80/88/1313928088.db2.gz RBIGJKDFZLTMOP-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450639 1313931903 /nfs/dbraw/zinc/93/19/03/1313931903.db2.gz IWMPGABUPPUYPM-ROUUACIJSA-N 2 2 346.519 2.997 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208450230 1313931931 /nfs/dbraw/zinc/93/19/31/1313931931.db2.gz BTEAJFOUNWIZAM-ZWKOTPCHSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001037865139 1303822738 /nfs/dbraw/zinc/82/27/38/1303822738.db2.gz FQNBOANKKDJSDC-SJORKVTESA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001037884083 1304211923 /nfs/dbraw/zinc/21/19/23/1304211923.db2.gz VGWAWGKXPUILHJ-LSDHHAIUSA-N 2 2 346.862 2.917 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CC ZINC001037903746 1304576749 /nfs/dbraw/zinc/57/67/49/1304576749.db2.gz YAJSPLFRMZZHEN-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP N#Cc1cccc(CCC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001208849376 1314028853 /nfs/dbraw/zinc/02/88/53/1314028853.db2.gz FJZAKSWRPFVFCR-UHFFFAOYSA-N 2 2 349.482 2.799 20 30 EFEDLP N#Cc1cccc(CCC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001208849376 1314028855 /nfs/dbraw/zinc/02/88/55/1314028855.db2.gz FJZAKSWRPFVFCR-UHFFFAOYSA-N 2 2 349.482 2.799 20 30 EFEDLP N#Cc1cccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001208851221 1314029013 /nfs/dbraw/zinc/02/90/13/1314029013.db2.gz CJEZNPOAUSFENO-FGZHOGPDSA-N 2 2 346.478 2.950 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496479 1305077136 /nfs/dbraw/zinc/07/71/36/1305077136.db2.gz LSNBUZOVEZJQLZ-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967496479 1305077142 /nfs/dbraw/zinc/07/71/42/1305077142.db2.gz LSNBUZOVEZJQLZ-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208858596 1314031697 /nfs/dbraw/zinc/03/16/97/1314031697.db2.gz IRRKPOQLRKARLX-VXKWHMMOSA-N 2 2 346.478 2.950 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114460904 1305384717 /nfs/dbraw/zinc/38/47/17/1305384717.db2.gz JCJZDYVTQVEULM-MNZLEMJZSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114460904 1305384729 /nfs/dbraw/zinc/38/47/29/1305384729.db2.gz JCJZDYVTQVEULM-MNZLEMJZSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1CC ZINC001037984322 1305551963 /nfs/dbraw/zinc/55/19/63/1305551963.db2.gz QUJYMSJXZYQSMA-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1CC ZINC001037984322 1305551968 /nfs/dbraw/zinc/55/19/68/1305551968.db2.gz QUJYMSJXZYQSMA-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680896 1306563143 /nfs/dbraw/zinc/56/31/43/1306563143.db2.gz DZDVESYYVRUXMU-KDOFPFPSSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680896 1306563145 /nfs/dbraw/zinc/56/31/45/1306563145.db2.gz DZDVESYYVRUXMU-KDOFPFPSSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001044649602 1306687701 /nfs/dbraw/zinc/68/77/01/1306687701.db2.gz WCFOXMYNRDRSLV-TZMCWYRMSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001044678512 1306710416 /nfs/dbraw/zinc/71/04/16/1306710416.db2.gz WJKXFXMDOSHAAI-KBPBESRZSA-N 2 2 332.835 2.670 20 30 EFEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859213 1306730437 /nfs/dbraw/zinc/73/04/37/1306730437.db2.gz LTIKJOQKCONRFO-GOSISDBHSA-N 2 2 338.455 2.640 20 30 EFEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859213 1306730442 /nfs/dbraw/zinc/73/04/42/1306730442.db2.gz LTIKJOQKCONRFO-GOSISDBHSA-N 2 2 338.455 2.640 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917298 1306792211 /nfs/dbraw/zinc/79/22/11/1306792211.db2.gz SIVWNQITZRLMIK-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968917298 1306792215 /nfs/dbraw/zinc/79/22/15/1306792215.db2.gz SIVWNQITZRLMIK-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919582 1306795031 /nfs/dbraw/zinc/79/50/31/1306795031.db2.gz GAPDCDGCNKOAEK-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919582 1306795036 /nfs/dbraw/zinc/79/50/36/1306795036.db2.gz GAPDCDGCNKOAEK-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919582 1306795041 /nfs/dbraw/zinc/79/50/41/1306795041.db2.gz GAPDCDGCNKOAEK-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919582 1306795045 /nfs/dbraw/zinc/79/50/45/1306795045.db2.gz GAPDCDGCNKOAEK-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926247 1306806708 /nfs/dbraw/zinc/80/67/08/1306806708.db2.gz YCHUIRKXYGZAKE-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926247 1306806711 /nfs/dbraw/zinc/80/67/11/1306806711.db2.gz YCHUIRKXYGZAKE-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926247 1306806714 /nfs/dbraw/zinc/80/67/14/1306806714.db2.gz YCHUIRKXYGZAKE-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926247 1306806716 /nfs/dbraw/zinc/80/67/16/1306806716.db2.gz YCHUIRKXYGZAKE-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC001044873617 1306883630 /nfs/dbraw/zinc/88/36/30/1306883630.db2.gz YQUFTRRVBYDJLS-DOTOQJQBSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC001044873617 1306883633 /nfs/dbraw/zinc/88/36/33/1306883633.db2.gz YQUFTRRVBYDJLS-DOTOQJQBSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975999 1308050247 /nfs/dbraw/zinc/05/02/47/1308050247.db2.gz OGCYWIDVDPNTQO-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975999 1308050251 /nfs/dbraw/zinc/05/02/51/1308050251.db2.gz OGCYWIDVDPNTQO-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979960 1308064695 /nfs/dbraw/zinc/06/46/95/1308064695.db2.gz NICZGOAYPYGHRB-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979960 1308064698 /nfs/dbraw/zinc/06/46/98/1308064698.db2.gz NICZGOAYPYGHRB-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982084 1308073997 /nfs/dbraw/zinc/07/39/97/1308073997.db2.gz NOAPPZQHCQPFHW-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045982084 1308074000 /nfs/dbraw/zinc/07/40/00/1308074000.db2.gz NOAPPZQHCQPFHW-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987472 1308091167 /nfs/dbraw/zinc/09/11/67/1308091167.db2.gz SMBLXJGJYHTVPR-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987472 1308091174 /nfs/dbraw/zinc/09/11/74/1308091174.db2.gz SMBLXJGJYHTVPR-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540274 1308143576 /nfs/dbraw/zinc/14/35/76/1308143576.db2.gz NUNJZAAUILFSSB-SFHVURJKSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540274 1308143580 /nfs/dbraw/zinc/14/35/80/1308143580.db2.gz NUNJZAAUILFSSB-SFHVURJKSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853382 1309528064 /nfs/dbraw/zinc/52/80/64/1309528064.db2.gz XRPHVXQEUGHDET-SFHVURJKSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853382 1309528072 /nfs/dbraw/zinc/52/80/72/1309528072.db2.gz XRPHVXQEUGHDET-SFHVURJKSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757943 1314352827 /nfs/dbraw/zinc/35/28/27/1314352827.db2.gz POCUCOVBZFPEDC-HNNXBMFYSA-N 2 2 338.883 2.730 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757943 1314352831 /nfs/dbraw/zinc/35/28/31/1314352831.db2.gz POCUCOVBZFPEDC-HNNXBMFYSA-N 2 2 338.883 2.730 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052793750 1314376583 /nfs/dbraw/zinc/37/65/83/1314376583.db2.gz CFVKUPNILKLEIX-QGZVFWFLSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001052793750 1314376588 /nfs/dbraw/zinc/37/65/88/1314376588.db2.gz CFVKUPNILKLEIX-QGZVFWFLSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047257827 1310434743 /nfs/dbraw/zinc/43/47/43/1310434743.db2.gz PZTNIFUHLCBMTC-HKUYNNGSSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001047264726 1310454780 /nfs/dbraw/zinc/45/47/80/1310454780.db2.gz MZMOXFUPNKIRSL-SFHVURJKSA-N 2 2 344.503 2.787 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221979542 1311064153 /nfs/dbraw/zinc/06/41/53/1311064153.db2.gz HIZWUNFYCRSNFT-SJLPKXTDSA-N 2 2 332.492 2.764 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221979542 1311064155 /nfs/dbraw/zinc/06/41/55/1311064155.db2.gz HIZWUNFYCRSNFT-SJLPKXTDSA-N 2 2 332.492 2.764 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221988996 1311065467 /nfs/dbraw/zinc/06/54/67/1311065467.db2.gz QAXFEWSRBOJTKW-IEBWSBKVSA-N 2 2 346.519 2.856 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221988996 1311065469 /nfs/dbraw/zinc/06/54/69/1311065469.db2.gz QAXFEWSRBOJTKW-IEBWSBKVSA-N 2 2 346.519 2.856 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264464 1311081483 /nfs/dbraw/zinc/08/14/83/1311081483.db2.gz SPSKHYYXECEIOG-DOTOQJQBSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264464 1311081487 /nfs/dbraw/zinc/08/14/87/1311081487.db2.gz SPSKHYYXECEIOG-DOTOQJQBSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264464 1311081489 /nfs/dbraw/zinc/08/14/89/1311081489.db2.gz SPSKHYYXECEIOG-DOTOQJQBSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264464 1311081492 /nfs/dbraw/zinc/08/14/92/1311081492.db2.gz SPSKHYYXECEIOG-DOTOQJQBSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001101549032 1311248955 /nfs/dbraw/zinc/24/89/55/1311248955.db2.gz XBFGSSRZJLUKHU-IAGOWNOFSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001101549032 1311248958 /nfs/dbraw/zinc/24/89/58/1311248958.db2.gz XBFGSSRZJLUKHU-IAGOWNOFSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581277 1311251445 /nfs/dbraw/zinc/25/14/45/1311251445.db2.gz RYZTZXIKZRGFLH-HNNXBMFYSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581277 1311251449 /nfs/dbraw/zinc/25/14/49/1311251449.db2.gz RYZTZXIKZRGFLH-HNNXBMFYSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001223507785 1311270000 /nfs/dbraw/zinc/27/00/00/1311270000.db2.gz WHRCIZXGAONJRR-DJIMGWMZSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001223507785 1311270002 /nfs/dbraw/zinc/27/00/02/1311270002.db2.gz WHRCIZXGAONJRR-DJIMGWMZSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102079923 1311279252 /nfs/dbraw/zinc/27/92/52/1311279252.db2.gz JYBSFXYYZXVVLL-KBAYOESNSA-N 2 2 346.519 2.965 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102079923 1311279257 /nfs/dbraw/zinc/27/92/57/1311279257.db2.gz JYBSFXYYZXVVLL-KBAYOESNSA-N 2 2 346.519 2.965 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001223912111 1311319915 /nfs/dbraw/zinc/31/99/15/1311319915.db2.gz NCTXLVZTPWQTME-CVEARBPZSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912608 1311320516 /nfs/dbraw/zinc/32/05/16/1311320516.db2.gz WJOWXIKNJFHKDV-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912608 1311320518 /nfs/dbraw/zinc/32/05/18/1311320518.db2.gz WJOWXIKNJFHKDV-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223987491 1311330148 /nfs/dbraw/zinc/33/01/48/1311330148.db2.gz OJFWNJGYXJLNPE-UHFFFAOYSA-N 2 2 332.492 2.848 20 30 EFEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794999 1311389035 /nfs/dbraw/zinc/38/90/35/1311389035.db2.gz XBQUICBFGCEPMO-NVXWUHKLSA-N 2 2 332.492 2.928 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C 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/nfs/dbraw/zinc/63/68/48/1311636848.db2.gz CMTSMMICYKESJF-IAGOWNOFSA-N 2 2 326.444 2.849 20 30 EFEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203194022 1311659040 /nfs/dbraw/zinc/65/90/40/1311659040.db2.gz YIKIPSBENICTPZ-IAGOWNOFSA-N 2 2 325.456 2.661 20 30 EFEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423599 1311706676 /nfs/dbraw/zinc/70/66/76/1311706676.db2.gz SCUQAOKHTIWRPJ-GOSISDBHSA-N 2 2 330.476 2.795 20 30 EFEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423599 1311706679 /nfs/dbraw/zinc/70/66/79/1311706679.db2.gz SCUQAOKHTIWRPJ-GOSISDBHSA-N 2 2 330.476 2.795 20 30 EFEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423600 1311707160 /nfs/dbraw/zinc/70/71/60/1311707160.db2.gz SCUQAOKHTIWRPJ-SFHVURJKSA-N 2 2 330.476 2.795 20 30 EFEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423600 1311707161 /nfs/dbraw/zinc/70/71/61/1311707161.db2.gz SCUQAOKHTIWRPJ-SFHVURJKSA-N 2 2 330.476 2.795 20 30 EFEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523590 1311727952 /nfs/dbraw/zinc/72/79/52/1311727952.db2.gz MAFYGSUDTYTBBT-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523590 1311727956 /nfs/dbraw/zinc/72/79/56/1311727956.db2.gz MAFYGSUDTYTBBT-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523590 1311727961 /nfs/dbraw/zinc/72/79/61/1311727961.db2.gz MAFYGSUDTYTBBT-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523590 1311727965 /nfs/dbraw/zinc/72/79/65/1311727965.db2.gz MAFYGSUDTYTBBT-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523589 1311728089 /nfs/dbraw/zinc/72/80/89/1311728089.db2.gz MAFYGSUDTYTBBT-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523589 1311728090 /nfs/dbraw/zinc/72/80/90/1311728090.db2.gz MAFYGSUDTYTBBT-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523589 1311728091 /nfs/dbraw/zinc/72/80/91/1311728091.db2.gz MAFYGSUDTYTBBT-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523589 1311728092 /nfs/dbraw/zinc/72/80/92/1311728092.db2.gz MAFYGSUDTYTBBT-KRWDZBQOSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525026 1311728638 /nfs/dbraw/zinc/72/86/38/1311728638.db2.gz XXXWWPDLOMQHFV-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525026 1311728639 /nfs/dbraw/zinc/72/86/39/1311728639.db2.gz XXXWWPDLOMQHFV-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529717 1311729528 /nfs/dbraw/zinc/72/95/28/1311729528.db2.gz NFYBIAUGZIJZQF-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529717 1311729533 /nfs/dbraw/zinc/72/95/33/1311729533.db2.gz NFYBIAUGZIJZQF-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227458966 1311808544 /nfs/dbraw/zinc/80/85/44/1311808544.db2.gz IXEIUQUDVGKGSS-HZPDHXFCSA-N 2 2 326.444 2.931 20 30 EFEDLP CC(C)(C)C(=O)C[NH+]1CCC(Nc2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001161124905 1311864055 /nfs/dbraw/zinc/86/40/55/1311864055.db2.gz LZTQTPGZAYUEGT-UHFFFAOYSA-N 2 2 339.443 2.926 20 30 EFEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993820 1312024082 /nfs/dbraw/zinc/02/40/82/1312024082.db2.gz KESUVDAWYCYHCX-UHFFFAOYSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993820 1312024084 /nfs/dbraw/zinc/02/40/84/1312024084.db2.gz KESUVDAWYCYHCX-UHFFFAOYSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001229262872 1312069221 /nfs/dbraw/zinc/06/92/21/1312069221.db2.gz YPMQKEJAXWQUIV-QZTJIDSGSA-N 2 2 344.503 2.851 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162395927 1312097943 /nfs/dbraw/zinc/09/79/43/1312097943.db2.gz GMCSZRJVZAMJRO-RWJHOUQZSA-N 2 2 336.505 2.953 20 30 EFEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001162790285 1312176858 /nfs/dbraw/zinc/17/68/58/1312176858.db2.gz FOLWPOAURPOKBZ-UHFFFAOYSA-N 2 2 340.471 2.579 20 30 EFEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc(Cl)c1C#N ZINC001163130119 1312247537 /nfs/dbraw/zinc/24/75/37/1312247537.db2.gz VWADZWATUGWDTR-UHFFFAOYSA-N 2 2 329.235 2.538 20 30 EFEDLP CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)C(C)C ZINC001230611492 1312283146 /nfs/dbraw/zinc/28/31/46/1312283146.db2.gz SKGDKAVLIISKGC-OALUTQOASA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)C(C)C ZINC001230611492 1312283150 /nfs/dbraw/zinc/28/31/50/1312283150.db2.gz SKGDKAVLIISKGC-OALUTQOASA-N 2 2 348.535 2.579 20 30 EFEDLP CCCCCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230611366 1312283417 /nfs/dbraw/zinc/28/34/17/1312283417.db2.gz RMLCJRTZZLOMKX-IBGZPJMESA-N 2 2 348.535 2.725 20 30 EFEDLP CCCCCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230611366 1312283419 /nfs/dbraw/zinc/28/34/19/1312283419.db2.gz RMLCJRTZZLOMKX-IBGZPJMESA-N 2 2 348.535 2.725 20 30 EFEDLP CCCCCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230611366 1312283421 /nfs/dbraw/zinc/28/34/21/1312283421.db2.gz RMLCJRTZZLOMKX-IBGZPJMESA-N 2 2 348.535 2.725 20 30 EFEDLP CCCCCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230611366 1312283424 /nfs/dbraw/zinc/28/34/24/1312283424.db2.gz RMLCJRTZZLOMKX-IBGZPJMESA-N 2 2 348.535 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628472 1312289379 /nfs/dbraw/zinc/28/93/79/1312289379.db2.gz IFIMZEJHJMYZTB-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628472 1312289383 /nfs/dbraw/zinc/28/93/83/1312289383.db2.gz IFIMZEJHJMYZTB-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP [NH2+]=C(Nc1ncccc1N1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC001163680240 1312362389 /nfs/dbraw/zinc/36/23/89/1312362389.db2.gz OBMQRTXEXXRPPR-UHFFFAOYSA-N 2 2 349.360 2.547 20 30 EFEDLP C=CC[NH+]1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001165031783 1312560930 /nfs/dbraw/zinc/56/09/30/1312560930.db2.gz VPQKAAJNRLQZSM-UHFFFAOYSA-N 2 2 348.494 2.948 20 30 EFEDLP C=CC[NH+]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165031783 1312560933 /nfs/dbraw/zinc/56/09/33/1312560933.db2.gz VPQKAAJNRLQZSM-UHFFFAOYSA-N 2 2 348.494 2.948 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231915061 1312588483 /nfs/dbraw/zinc/58/84/83/1312588483.db2.gz WKZPIHSZGSGGLP-UHFFFAOYSA-N 2 2 349.906 2.837 20 30 EFEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c12 ZINC001165271755 1312599256 /nfs/dbraw/zinc/59/92/56/1312599256.db2.gz WJIXAXNWDKYAAY-OAHLLOKOSA-N 2 2 349.360 2.945 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367061 1314485171 /nfs/dbraw/zinc/48/51/71/1314485171.db2.gz NHUBNFZYAODVPZ-DJIMGWMZSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367061 1314485175 /nfs/dbraw/zinc/48/51/75/1314485175.db2.gz NHUBNFZYAODVPZ-DJIMGWMZSA-N 2 2 341.927 2.686 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052951433 1314510319 /nfs/dbraw/zinc/51/03/19/1314510319.db2.gz JPJVYCKUIPPSAM-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC001052951433 1314510322 /nfs/dbraw/zinc/51/03/22/1314510322.db2.gz JPJVYCKUIPPSAM-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001052951433 1314510325 /nfs/dbraw/zinc/51/03/25/1314510325.db2.gz JPJVYCKUIPPSAM-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001052951433 1314510328 /nfs/dbraw/zinc/51/03/28/1314510328.db2.gz JPJVYCKUIPPSAM-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCCCCC[C@H](O)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001245954888 1314555450 /nfs/dbraw/zinc/55/54/50/1314555450.db2.gz DQIGWDLNJTXFPG-SFHVURJKSA-N 2 2 332.492 2.791 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024764 1314593284 /nfs/dbraw/zinc/59/32/84/1314593284.db2.gz RSTMTYDWGPQAII-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024764 1314593288 /nfs/dbraw/zinc/59/32/88/1314593288.db2.gz RSTMTYDWGPQAII-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029580 1314603686 /nfs/dbraw/zinc/60/36/86/1314603686.db2.gz SYUGWWJWKLHAPW-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029580 1314603691 /nfs/dbraw/zinc/60/36/91/1314603691.db2.gz SYUGWWJWKLHAPW-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029580 1314603696 /nfs/dbraw/zinc/60/36/96/1314603696.db2.gz SYUGWWJWKLHAPW-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029580 1314603701 /nfs/dbraw/zinc/60/37/01/1314603701.db2.gz SYUGWWJWKLHAPW-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037139 1314616071 /nfs/dbraw/zinc/61/60/71/1314616071.db2.gz VJQKHAVWLWVQRW-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037139 1314616077 /nfs/dbraw/zinc/61/60/77/1314616077.db2.gz VJQKHAVWLWVQRW-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037141 1314616349 /nfs/dbraw/zinc/61/63/49/1314616349.db2.gz VJQKHAVWLWVQRW-RTBURBONSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053037141 1314616351 /nfs/dbraw/zinc/61/63/51/1314616351.db2.gz VJQKHAVWLWVQRW-RTBURBONSA-N 2 2 344.503 2.800 20 30 EFEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246461969 1314631182 /nfs/dbraw/zinc/63/11/82/1314631182.db2.gz LZXRCGBHYQAZEO-PMPSAXMXSA-N 2 2 327.538 2.588 20 30 EFEDLP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)C1 ZINC001246525809 1314642307 /nfs/dbraw/zinc/64/23/07/1314642307.db2.gz LHYKJZPJIKCCDG-IAGOWNOFSA-N 2 2 335.492 2.628 20 30 EFEDLP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246529367 1314643196 /nfs/dbraw/zinc/64/31/96/1314643196.db2.gz KLXQTTQLPQBXOC-RTBURBONSA-N 2 2 326.488 2.991 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053083956 1314686194 /nfs/dbraw/zinc/68/61/94/1314686194.db2.gz NLPNVBLPPGUXAJ-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053083956 1314686197 /nfs/dbraw/zinc/68/61/97/1314686197.db2.gz NLPNVBLPPGUXAJ-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP CCOC(=O)C[N@H+](CCC[NH3+])C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246919465 1314708769 /nfs/dbraw/zinc/70/87/69/1314708769.db2.gz AXQLKOQCIKXOCD-UHFFFAOYSA-N 2 2 343.471 2.798 20 30 EFEDLP CCOC(=O)C[N@@H+](CCC[NH3+])C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246919465 1314708771 /nfs/dbraw/zinc/70/87/71/1314708771.db2.gz AXQLKOQCIKXOCD-UHFFFAOYSA-N 2 2 343.471 2.798 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632401 1314717797 /nfs/dbraw/zinc/71/77/97/1314717797.db2.gz LSXWZUUAHCHEIT-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672774 1314723942 /nfs/dbraw/zinc/72/39/42/1314723942.db2.gz WVKQBGXGJJMWCG-JFIYKMOQSA-N 2 2 344.503 2.553 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104201 1314724715 /nfs/dbraw/zinc/72/47/15/1314724715.db2.gz CSWXTWWNBBNDNG-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104201 1314724722 /nfs/dbraw/zinc/72/47/22/1314724722.db2.gz CSWXTWWNBBNDNG-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104578 1314726080 /nfs/dbraw/zinc/72/60/80/1314726080.db2.gz OYWWLJSTQZZHHE-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104578 1314726085 /nfs/dbraw/zinc/72/60/85/1314726085.db2.gz OYWWLJSTQZZHHE-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988372 1314765865 /nfs/dbraw/zinc/76/58/65/1314765865.db2.gz UAZJJVDSQHPWET-ZHALLVOQSA-N 2 2 346.519 2.852 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001215920902 1314891866 /nfs/dbraw/zinc/89/18/66/1314891866.db2.gz WLFBRQARUSQAOA-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249124678 1315021064 /nfs/dbraw/zinc/02/10/64/1315021064.db2.gz GJBASSWNXRXOMT-QGZVFWFLSA-N 2 2 333.395 2.563 20 30 EFEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249124678 1315021069 /nfs/dbraw/zinc/02/10/69/1315021069.db2.gz GJBASSWNXRXOMT-QGZVFWFLSA-N 2 2 333.395 2.563 20 30 EFEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3ccc(C#N)cc3[nH]1)CC2 ZINC001249428326 1315072439 /nfs/dbraw/zinc/07/24/39/1315072439.db2.gz KXJACHKGVBSITJ-UHFFFAOYSA-N 2 2 337.427 2.670 20 30 EFEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278588144 1315236101 /nfs/dbraw/zinc/23/61/01/1315236101.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278588144 1315236104 /nfs/dbraw/zinc/23/61/04/1315236104.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278588144 1315236108 /nfs/dbraw/zinc/23/61/08/1315236108.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001278588144 1315236113 /nfs/dbraw/zinc/23/61/13/1315236113.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 3 2 349.482 2.599 20 30 EFEDLP N#Cc1cc(F)c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(Cl)c1 ZINC001218994396 1315270153 /nfs/dbraw/zinc/27/01/53/1315270153.db2.gz FIGSNFLJSMSWCA-CQSZACIVSA-N 2 2 332.766 2.562 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152441 1315375791 /nfs/dbraw/zinc/37/57/91/1315375791.db2.gz DRCHSEZJNQJJAX-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054152441 1315375795 /nfs/dbraw/zinc/37/57/95/1315375795.db2.gz DRCHSEZJNQJJAX-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204822 1315451981 /nfs/dbraw/zinc/45/19/81/1315451981.db2.gz FAMDQOUUFBCUGD-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054204822 1315451983 /nfs/dbraw/zinc/45/19/83/1315451983.db2.gz FAMDQOUUFBCUGD-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228496 1315488508 /nfs/dbraw/zinc/48/85/08/1315488508.db2.gz RGXDWKGKDJBTAM-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228496 1315488510 /nfs/dbraw/zinc/48/85/10/1315488510.db2.gz RGXDWKGKDJBTAM-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161903 1315560187 /nfs/dbraw/zinc/56/01/87/1315560187.db2.gz PXFZADMQJUMSAS-MJGOQNOKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161903 1315560193 /nfs/dbraw/zinc/56/01/93/1315560193.db2.gz PXFZADMQJUMSAS-MJGOQNOKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634700 1315567150 /nfs/dbraw/zinc/56/71/50/1315567150.db2.gz DUQXJXYFLOXHSM-FGTMMUONSA-N 2 2 330.476 2.579 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634700 1315567154 /nfs/dbraw/zinc/56/71/54/1315567154.db2.gz DUQXJXYFLOXHSM-FGTMMUONSA-N 2 2 330.476 2.579 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640003 1315568402 /nfs/dbraw/zinc/56/84/02/1315568402.db2.gz AUHHGUJDFHYRNE-RCCFBDPRSA-N 2 2 344.503 2.814 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640003 1315568403 /nfs/dbraw/zinc/56/84/03/1315568403.db2.gz AUHHGUJDFHYRNE-RCCFBDPRSA-N 2 2 344.503 2.814 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174123 1315578957 /nfs/dbraw/zinc/57/89/57/1315578957.db2.gz MZRSQXFKDMQKFJ-QGZVFWFLSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174123 1315578958 /nfs/dbraw/zinc/57/89/58/1315578958.db2.gz MZRSQXFKDMQKFJ-QGZVFWFLSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208608 1315622335 /nfs/dbraw/zinc/62/23/35/1315622335.db2.gz DXUGDKQTIIWHHL-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208608 1315622337 /nfs/dbraw/zinc/62/23/37/1315622337.db2.gz DXUGDKQTIIWHHL-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208608 1315622339 /nfs/dbraw/zinc/62/23/39/1315622339.db2.gz DXUGDKQTIIWHHL-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208608 1315622341 /nfs/dbraw/zinc/62/23/41/1315622341.db2.gz DXUGDKQTIIWHHL-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222301 1315642204 /nfs/dbraw/zinc/64/22/04/1315642204.db2.gz DTKNLUDSXGOWOC-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222301 1315642207 /nfs/dbraw/zinc/64/22/07/1315642207.db2.gz DTKNLUDSXGOWOC-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039226564 1315647880 /nfs/dbraw/zinc/64/78/80/1315647880.db2.gz WHNJKOSDXCKQPJ-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039226564 1315647884 /nfs/dbraw/zinc/64/78/84/1315647884.db2.gz WHNJKOSDXCKQPJ-OALUTQOASA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240381 1315667673 /nfs/dbraw/zinc/66/76/73/1315667673.db2.gz VGDOLBLAIHMXQN-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240381 1315667678 /nfs/dbraw/zinc/66/76/78/1315667678.db2.gz VGDOLBLAIHMXQN-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248781 1315679043 /nfs/dbraw/zinc/67/90/43/1315679043.db2.gz FAYLLKGDEPWYSB-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248781 1315679046 /nfs/dbraw/zinc/67/90/46/1315679046.db2.gz FAYLLKGDEPWYSB-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248782 1315679280 /nfs/dbraw/zinc/67/92/80/1315679280.db2.gz FAYLLKGDEPWYSB-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248782 1315679284 /nfs/dbraw/zinc/67/92/84/1315679284.db2.gz FAYLLKGDEPWYSB-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249224 1315680316 /nfs/dbraw/zinc/68/03/16/1315680316.db2.gz HESFQRDSTMIQEP-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039249224 1315680319 /nfs/dbraw/zinc/68/03/19/1315680319.db2.gz HESFQRDSTMIQEP-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253592 1315685327 /nfs/dbraw/zinc/68/53/27/1315685327.db2.gz KWKFZMRQAAOXKQ-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253592 1315685331 /nfs/dbraw/zinc/68/53/31/1315685331.db2.gz KWKFZMRQAAOXKQ-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001039284013 1315701144 /nfs/dbraw/zinc/70/11/44/1315701144.db2.gz BGGQAYVGAXSZNY-OOKSDGMUSA-N 2 2 342.487 2.523 20 30 EFEDLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254649900 1315735472 /nfs/dbraw/zinc/73/54/72/1315735472.db2.gz SBTQNSJUHFOFNZ-QFBILLFUSA-N 2 2 341.455 2.719 20 30 EFEDLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC001254677300 1315740155 /nfs/dbraw/zinc/74/01/55/1315740155.db2.gz SAWMLCDBLLHYRW-KXBFYZLASA-N 2 2 341.455 2.719 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474822 1315818312 /nfs/dbraw/zinc/81/83/12/1315818312.db2.gz DSQYGRRICRAQKM-QYZOEREBSA-N 2 2 327.472 2.541 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474822 1315818314 /nfs/dbraw/zinc/81/83/14/1315818314.db2.gz DSQYGRRICRAQKM-QYZOEREBSA-N 2 2 327.472 2.541 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001039648378 1315889970 /nfs/dbraw/zinc/88/99/70/1315889970.db2.gz LDZUYQSQRQGZLS-ZCNNSNEGSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001039648378 1315889974 /nfs/dbraw/zinc/88/99/74/1315889974.db2.gz LDZUYQSQRQGZLS-ZCNNSNEGSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(CC)CC ZINC001039648378 1315889975 /nfs/dbraw/zinc/88/99/75/1315889975.db2.gz LDZUYQSQRQGZLS-ZCNNSNEGSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(CC)CC ZINC001039648378 1315889979 /nfs/dbraw/zinc/88/99/79/1315889979.db2.gz LDZUYQSQRQGZLS-ZCNNSNEGSA-N 2 2 345.531 2.586 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378926 1315939815 /nfs/dbraw/zinc/93/98/15/1315939815.db2.gz KRODTBRKANGOEH-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378926 1315939819 /nfs/dbraw/zinc/93/98/19/1315939819.db2.gz KRODTBRKANGOEH-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378930 1315939873 /nfs/dbraw/zinc/93/98/73/1315939873.db2.gz KRODTBRKANGOEH-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378930 1315939876 /nfs/dbraw/zinc/93/98/76/1315939876.db2.gz KRODTBRKANGOEH-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490588 1315955396 /nfs/dbraw/zinc/95/53/96/1315955396.db2.gz VNGYMELQZRAVIM-QGZVFWFLSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490588 1315955399 /nfs/dbraw/zinc/95/53/99/1315955399.db2.gz VNGYMELQZRAVIM-QGZVFWFLSA-N 2 2 331.460 2.570 20 30 EFEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1=O ZINC001256572222 1315961230 /nfs/dbraw/zinc/96/12/30/1315961230.db2.gz DNNBRKWXAZCJRN-HXUWFJFHSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1=O ZINC001256572222 1315961231 /nfs/dbraw/zinc/96/12/31/1315961231.db2.gz DNNBRKWXAZCJRN-HXUWFJFHSA-N 2 2 333.520 2.750 20 30 EFEDLP CC(C)C[NH+]1CCC([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001258016574 1316110883 /nfs/dbraw/zinc/11/08/83/1316110883.db2.gz ANILXXAAVPGANR-UHFFFAOYSA-N 2 2 326.488 2.801 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235413 1316157785 /nfs/dbraw/zinc/15/77/85/1316157785.db2.gz BWMHCPNBWDDYSN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235413 1316157787 /nfs/dbraw/zinc/15/77/87/1316157787.db2.gz BWMHCPNBWDDYSN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235413 1316157789 /nfs/dbraw/zinc/15/77/89/1316157789.db2.gz BWMHCPNBWDDYSN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235413 1316157791 /nfs/dbraw/zinc/15/77/91/1316157791.db2.gz BWMHCPNBWDDYSN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040258465 1316169723 /nfs/dbraw/zinc/16/97/23/1316169723.db2.gz ORDAHBVTYBZQGK-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040258465 1316169724 /nfs/dbraw/zinc/16/97/24/1316169724.db2.gz ORDAHBVTYBZQGK-HXUWFJFHSA-N 2 2 344.503 2.817 20 30 EFEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001258907225 1316190807 /nfs/dbraw/zinc/19/08/07/1316190807.db2.gz OTIFIVMEYUHDDC-APWZRJJASA-N 2 2 345.487 2.742 20 30 EFEDLP C=C(C)CC[NH+]1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001001630598 1316224051 /nfs/dbraw/zinc/22/40/51/1316224051.db2.gz XKVFIAXKPSCJGX-UHFFFAOYSA-N 2 2 326.444 2.742 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387345 1316235792 /nfs/dbraw/zinc/23/57/92/1316235792.db2.gz JAGOQVCVRNGEGI-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387345 1316235796 /nfs/dbraw/zinc/23/57/96/1316235796.db2.gz JAGOQVCVRNGEGI-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493943 1316292665 /nfs/dbraw/zinc/29/26/65/1316292665.db2.gz RJGQFNPDOLZWTC-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493943 1316292670 /nfs/dbraw/zinc/29/26/70/1316292670.db2.gz RJGQFNPDOLZWTC-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494036 1316292714 /nfs/dbraw/zinc/29/27/14/1316292714.db2.gz SXLAYCXZCIIHNK-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494036 1316292718 /nfs/dbraw/zinc/29/27/18/1316292718.db2.gz SXLAYCXZCIIHNK-LJQANCHMSA-N 2 2 330.476 2.578 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC001040740521 1316364183 /nfs/dbraw/zinc/36/41/83/1316364183.db2.gz JKBJXFAUKQZLED-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001040876076 1316395393 /nfs/dbraw/zinc/39/53/93/1316395393.db2.gz ALIWIIAUYOBQPT-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040876076 1316395395 /nfs/dbraw/zinc/39/53/95/1316395395.db2.gz ALIWIIAUYOBQPT-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001040915317 1316404137 /nfs/dbraw/zinc/40/41/37/1316404137.db2.gz XTPSAJXPEFISOL-UHFFFAOYSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001263341430 1316534246 /nfs/dbraw/zinc/53/42/46/1316534246.db2.gz NRGQEJCNEQXIAP-IRXDYDNUSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001263341430 1316534249 /nfs/dbraw/zinc/53/42/49/1316534249.db2.gz NRGQEJCNEQXIAP-IRXDYDNUSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001263341430 1316534250 /nfs/dbraw/zinc/53/42/50/1316534250.db2.gz NRGQEJCNEQXIAP-IRXDYDNUSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001263341430 1316534253 /nfs/dbraw/zinc/53/42/53/1316534253.db2.gz NRGQEJCNEQXIAP-IRXDYDNUSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042062172 1316851704 /nfs/dbraw/zinc/85/17/04/1316851704.db2.gz KCVAMQPIMYZSIR-FUHWJXTLSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001042062172 1316851707 /nfs/dbraw/zinc/85/17/07/1316851707.db2.gz KCVAMQPIMYZSIR-FUHWJXTLSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133126 1316900727 /nfs/dbraw/zinc/90/07/27/1316900727.db2.gz HUUUESUVNZPYJM-YOEHRIQHSA-N 2 2 344.846 2.623 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133126 1316900731 /nfs/dbraw/zinc/90/07/31/1316900731.db2.gz HUUUESUVNZPYJM-YOEHRIQHSA-N 2 2 344.846 2.623 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042185284 1316939491 /nfs/dbraw/zinc/93/94/91/1316939491.db2.gz AGDIFWDQMJZRKV-JKSUJKDBSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042185284 1316939494 /nfs/dbraw/zinc/93/94/94/1316939494.db2.gz AGDIFWDQMJZRKV-JKSUJKDBSA-N 2 2 339.911 2.536 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001316978399 1325440106 /nfs/dbraw/zinc/44/01/06/1325440106.db2.gz WQUNVMOWGSHKFC-KRWDZBQOSA-N 2 2 346.519 2.923 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001316978399 1325440111 /nfs/dbraw/zinc/44/01/11/1325440111.db2.gz WQUNVMOWGSHKFC-KRWDZBQOSA-N 2 2 346.519 2.923 20 30 EFEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001333734977 1331204437 /nfs/dbraw/zinc/20/44/37/1331204437.db2.gz ULFGNWJJYKZVRE-UHFFFAOYSA-N 2 2 330.472 2.984 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001338894991 1331754196 /nfs/dbraw/zinc/75/41/96/1331754196.db2.gz CWKOTJWUFOZVMF-SJORKVTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001338894991 1331754198 /nfs/dbraw/zinc/75/41/98/1331754198.db2.gz CWKOTJWUFOZVMF-SJORKVTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001339111953 1331793979 /nfs/dbraw/zinc/79/39/79/1331793979.db2.gz YXHAFMSWWAIZRV-MRXNPFEDSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001339111953 1331793982 /nfs/dbraw/zinc/79/39/82/1331793982.db2.gz YXHAFMSWWAIZRV-MRXNPFEDSA-N 2 2 346.523 2.541 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001340172969 1332148794 /nfs/dbraw/zinc/14/87/94/1332148794.db2.gz MPBYJOJXJJZINT-BQFCYCMXSA-N 2 2 345.487 2.918 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340172974 1332148873 /nfs/dbraw/zinc/14/88/73/1332148873.db2.gz MPBYJOJXJJZINT-SOLBZPMBSA-N 2 2 345.487 2.918 20 30 EFEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340172974 1332148874 /nfs/dbraw/zinc/14/88/74/1332148874.db2.gz MPBYJOJXJJZINT-SOLBZPMBSA-N 2 2 345.487 2.918 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001343456595 1332348440 /nfs/dbraw/zinc/34/84/40/1332348440.db2.gz IMTCEXNDESVDMK-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001343456595 1332348443 /nfs/dbraw/zinc/34/84/43/1332348443.db2.gz IMTCEXNDESVDMK-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001343456595 1332348446 /nfs/dbraw/zinc/34/84/46/1332348446.db2.gz IMTCEXNDESVDMK-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001343456595 1332348449 /nfs/dbraw/zinc/34/84/49/1332348449.db2.gz IMTCEXNDESVDMK-ULQDDVLXSA-N 2 2 346.523 2.540 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001200658661 1334288171 /nfs/dbraw/zinc/28/81/71/1334288171.db2.gz SWEJENLMVGYPBP-MRXNPFEDSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001367817740 1339035548 /nfs/dbraw/zinc/03/55/48/1339035548.db2.gz COQUXCXDWRGHER-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001367817740 1339035550 /nfs/dbraw/zinc/03/55/50/1339035550.db2.gz COQUXCXDWRGHER-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001367817740 1339035552 /nfs/dbraw/zinc/03/55/52/1339035552.db2.gz COQUXCXDWRGHER-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001367817740 1339035553 /nfs/dbraw/zinc/03/55/53/1339035553.db2.gz COQUXCXDWRGHER-OAHLLOKOSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971188 1340315742 /nfs/dbraw/zinc/31/57/42/1340315742.db2.gz PZSVMFKUTNDPSK-JKSUJKDBSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971188 1340315745 /nfs/dbraw/zinc/31/57/45/1340315745.db2.gz PZSVMFKUTNDPSK-JKSUJKDBSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001376024865 1343268274 /nfs/dbraw/zinc/26/82/74/1343268274.db2.gz HPTWPVXXGKESAD-GOSISDBHSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001378197603 1344874060 /nfs/dbraw/zinc/87/40/60/1344874060.db2.gz MWUWLMMDMXZJJM-OAHLLOKOSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001378197603 1344874061 /nfs/dbraw/zinc/87/40/61/1344874061.db2.gz MWUWLMMDMXZJJM-OAHLLOKOSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001378197599 1344873661 /nfs/dbraw/zinc/87/36/61/1344873661.db2.gz MWUWLMMDMXZJJM-HNNXBMFYSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001378197599 1344873665 /nfs/dbraw/zinc/87/36/65/1344873665.db2.gz MWUWLMMDMXZJJM-HNNXBMFYSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001378197599 1344873668 /nfs/dbraw/zinc/87/36/68/1344873668.db2.gz MWUWLMMDMXZJJM-HNNXBMFYSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001378197599 1344873671 /nfs/dbraw/zinc/87/36/71/1344873671.db2.gz MWUWLMMDMXZJJM-HNNXBMFYSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001378197603 1344874052 /nfs/dbraw/zinc/87/40/52/1344874052.db2.gz MWUWLMMDMXZJJM-OAHLLOKOSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001378197603 1344874055 /nfs/dbraw/zinc/87/40/55/1344874055.db2.gz MWUWLMMDMXZJJM-OAHLLOKOSA-N 2 2 329.916 2.640 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)c1cccc2[nH+]ccn21 ZINC001378436553 1345074977 /nfs/dbraw/zinc/07/49/77/1345074977.db2.gz AARIPAUXYCJLAK-AWEZNQCLSA-N 2 2 334.851 2.965 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001393495992 1356897811 /nfs/dbraw/zinc/89/78/11/1356897811.db2.gz QHCPPIBBJABBON-AWEZNQCLSA-N 2 2 346.862 2.682 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001437300996 1387529927 /nfs/dbraw/zinc/52/99/27/1387529927.db2.gz HXLSHTTWGORFBF-HNNXBMFYSA-N 2 2 344.846 2.677 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001402496082 1363739065 /nfs/dbraw/zinc/73/90/65/1363739065.db2.gz OSQHYBOAXIMOLL-QEJZJMRPSA-N 2 2 338.883 2.605 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001402496082 1363739069 /nfs/dbraw/zinc/73/90/69/1363739069.db2.gz OSQHYBOAXIMOLL-QEJZJMRPSA-N 2 2 338.883 2.605 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001403174382 1364396623 /nfs/dbraw/zinc/39/66/23/1364396623.db2.gz YRXWHIVKWHCKAC-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001403174382 1364396627 /nfs/dbraw/zinc/39/66/27/1364396627.db2.gz YRXWHIVKWHCKAC-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001403174382 1364396630 /nfs/dbraw/zinc/39/66/30/1364396630.db2.gz YRXWHIVKWHCKAC-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001403174382 1364396633 /nfs/dbraw/zinc/39/66/33/1364396633.db2.gz YRXWHIVKWHCKAC-HNNXBMFYSA-N 2 2 329.916 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001403287436 1364502612 /nfs/dbraw/zinc/50/26/12/1364502612.db2.gz MYHYBPQERVJPCE-MRXNPFEDSA-N 2 2 338.883 2.777 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001403287436 1364502618 /nfs/dbraw/zinc/50/26/18/1364502618.db2.gz MYHYBPQERVJPCE-MRXNPFEDSA-N 2 2 338.883 2.777 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001417958675 1373454075 /nfs/dbraw/zinc/45/40/75/1373454075.db2.gz WGOCUJIBKUZOIL-MRXNPFEDSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001417958675 1373454076 /nfs/dbraw/zinc/45/40/76/1373454076.db2.gz WGOCUJIBKUZOIL-MRXNPFEDSA-N 2 2 327.900 2.536 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001417994807 1373498544 /nfs/dbraw/zinc/49/85/44/1373498544.db2.gz SRIODZWEZFMBGN-KRWDZBQOSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@H]1C ZINC001419364059 1375170067 /nfs/dbraw/zinc/17/00/67/1375170067.db2.gz OHOGAJCIYATVGA-RHSMWYFYSA-N 2 2 338.883 2.680 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001438434260 1388596577 /nfs/dbraw/zinc/59/65/77/1388596577.db2.gz XDPDMGHJVBMOPC-SJKOYZFVSA-N 2 2 338.883 2.668 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001424686668 1383256282 /nfs/dbraw/zinc/25/62/82/1383256282.db2.gz SCMALAVFSZCLDX-IEBWSBKVSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001424686668 1383256286 /nfs/dbraw/zinc/25/62/86/1383256286.db2.gz SCMALAVFSZCLDX-IEBWSBKVSA-N 2 2 347.890 2.595 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001441583141 1391375166 /nfs/dbraw/zinc/37/51/66/1391375166.db2.gz NWHNAJIFIJVMPE-GOSISDBHSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001441583141 1391375168 /nfs/dbraw/zinc/37/51/68/1391375168.db2.gz NWHNAJIFIJVMPE-GOSISDBHSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001441583141 1391375170 /nfs/dbraw/zinc/37/51/70/1391375170.db2.gz NWHNAJIFIJVMPE-GOSISDBHSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001441583141 1391375175 /nfs/dbraw/zinc/37/51/75/1391375175.db2.gz NWHNAJIFIJVMPE-GOSISDBHSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507015739 1406593235 /nfs/dbraw/zinc/59/32/35/1406593235.db2.gz QEAHMQCZOCQMMP-MRXNPFEDSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000969156487 712945302 /nfs/dbraw/zinc/94/53/02/712945302.db2.gz UFLPHUAZDVPYAR-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156487 712945304 /nfs/dbraw/zinc/94/53/04/712945304.db2.gz UFLPHUAZDVPYAR-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156487 712945305 /nfs/dbraw/zinc/94/53/05/712945305.db2.gz UFLPHUAZDVPYAR-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156487 712945309 /nfs/dbraw/zinc/94/53/09/712945309.db2.gz UFLPHUAZDVPYAR-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632038 714207805 /nfs/dbraw/zinc/20/78/05/714207805.db2.gz FLRGBSZABIFZAT-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021632038 714207807 /nfs/dbraw/zinc/20/78/07/714207807.db2.gz FLRGBSZABIFZAT-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974943224 715364251 /nfs/dbraw/zinc/36/42/51/715364251.db2.gz FGCYCXKNFKLBLM-HOTGVXAUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974943224 715364256 /nfs/dbraw/zinc/36/42/56/715364256.db2.gz FGCYCXKNFKLBLM-HOTGVXAUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943224 715364265 /nfs/dbraw/zinc/36/42/65/715364265.db2.gz FGCYCXKNFKLBLM-HOTGVXAUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943224 715364272 /nfs/dbraw/zinc/36/42/72/715364272.db2.gz FGCYCXKNFKLBLM-HOTGVXAUSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974943237 715364438 /nfs/dbraw/zinc/36/44/38/715364438.db2.gz FGCYCXKNFKLBLM-JKSUJKDBSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974943237 715364444 /nfs/dbraw/zinc/36/44/44/715364444.db2.gz FGCYCXKNFKLBLM-JKSUJKDBSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943237 715364449 /nfs/dbraw/zinc/36/44/49/715364449.db2.gz FGCYCXKNFKLBLM-JKSUJKDBSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943237 715364454 /nfs/dbraw/zinc/36/44/54/715364454.db2.gz FGCYCXKNFKLBLM-JKSUJKDBSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509554 716117524 /nfs/dbraw/zinc/11/75/24/716117524.db2.gz DPLVPOXBNHHOGV-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509554 716117527 /nfs/dbraw/zinc/11/75/27/716117527.db2.gz DPLVPOXBNHHOGV-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369120 716392872 /nfs/dbraw/zinc/39/28/72/716392872.db2.gz ACIZVVYVWSOVJR-MRXNPFEDSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369120 716392875 /nfs/dbraw/zinc/39/28/75/716392875.db2.gz ACIZVVYVWSOVJR-MRXNPFEDSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696652 716539287 /nfs/dbraw/zinc/53/92/87/716539287.db2.gz QADPSSJNRYOGLW-ZWKOTPCHSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696652 716539293 /nfs/dbraw/zinc/53/92/93/716539293.db2.gz QADPSSJNRYOGLW-ZWKOTPCHSA-N 2 2 349.906 2.965 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001027615171 717020582 /nfs/dbraw/zinc/02/05/82/717020582.db2.gz PCDIAKIWZYSTSP-GOSISDBHSA-N 2 2 340.471 2.684 20 30 EFEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001027615171 717020585 /nfs/dbraw/zinc/02/05/85/717020585.db2.gz PCDIAKIWZYSTSP-GOSISDBHSA-N 2 2 340.471 2.684 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490811 717343473 /nfs/dbraw/zinc/34/34/73/717343473.db2.gz MOKZYEUDJVDYJY-IRXDYDNUSA-N 2 2 335.879 2.575 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490811 717343478 /nfs/dbraw/zinc/34/34/78/717343478.db2.gz MOKZYEUDJVDYJY-IRXDYDNUSA-N 2 2 335.879 2.575 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979994623 717644829 /nfs/dbraw/zinc/64/48/29/717644829.db2.gz XMMISYLQLRRDCR-USXIJHARSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979994623 717644831 /nfs/dbraw/zinc/64/48/31/717644831.db2.gz XMMISYLQLRRDCR-USXIJHARSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520462 717865181 /nfs/dbraw/zinc/86/51/81/717865181.db2.gz KFYFGVLEGLFZMZ-HNNXBMFYSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520462 717865182 /nfs/dbraw/zinc/86/51/82/717865182.db2.gz KFYFGVLEGLFZMZ-HNNXBMFYSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024645432 718057696 /nfs/dbraw/zinc/05/76/96/718057696.db2.gz ADLMOQVBPYZYCT-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024645432 718057700 /nfs/dbraw/zinc/05/77/00/718057700.db2.gz ADLMOQVBPYZYCT-HOTGVXAUSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024693051 718087102 /nfs/dbraw/zinc/08/71/02/718087102.db2.gz VGHQTDAEEWOTIC-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024693051 718087105 /nfs/dbraw/zinc/08/71/05/718087105.db2.gz VGHQTDAEEWOTIC-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024693051 718087107 /nfs/dbraw/zinc/08/71/07/718087107.db2.gz VGHQTDAEEWOTIC-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024693051 718087111 /nfs/dbraw/zinc/08/71/11/718087111.db2.gz VGHQTDAEEWOTIC-SJORKVTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981169207 718162947 /nfs/dbraw/zinc/16/29/47/718162947.db2.gz YGFLTAKOFLSFGE-GJZGRUSLSA-N 2 2 338.883 2.696 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000985494204 724489249 /nfs/dbraw/zinc/48/92/49/724489249.db2.gz BMXZKQGMMYSQDN-UHFFFAOYSA-N 2 2 338.883 2.602 20 30 EFEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000985494204 724489253 /nfs/dbraw/zinc/48/92/53/724489253.db2.gz BMXZKQGMMYSQDN-UHFFFAOYSA-N 2 2 338.883 2.602 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025228574 718444324 /nfs/dbraw/zinc/44/43/24/718444324.db2.gz ZADIYALAAVYOKC-DLBZAZTESA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025228574 718444326 /nfs/dbraw/zinc/44/43/26/718444326.db2.gz ZADIYALAAVYOKC-DLBZAZTESA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273463 718509507 /nfs/dbraw/zinc/50/95/07/718509507.db2.gz FPYOCLFISWCOCW-CVEARBPZSA-N 2 2 336.867 2.550 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273463 718509509 /nfs/dbraw/zinc/50/95/09/718509509.db2.gz FPYOCLFISWCOCW-CVEARBPZSA-N 2 2 336.867 2.550 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287609 718524175 /nfs/dbraw/zinc/52/41/75/718524175.db2.gz FGIQJCPHEXKCEX-HZPDHXFCSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 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C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121302 727123461 /nfs/dbraw/zinc/12/34/61/727123461.db2.gz SRJMIDIDUBDHSF-IIHSZXCVSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121302 727123463 /nfs/dbraw/zinc/12/34/63/727123463.db2.gz SRJMIDIDUBDHSF-IIHSZXCVSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121302 727123466 /nfs/dbraw/zinc/12/34/66/727123466.db2.gz SRJMIDIDUBDHSF-IIHSZXCVSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121302 727123469 /nfs/dbraw/zinc/12/34/69/727123469.db2.gz SRJMIDIDUBDHSF-IIHSZXCVSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993336797 727144563 /nfs/dbraw/zinc/14/45/63/727144563.db2.gz MUVGJKBESWIWCZ-AEFFLSMTSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993336797 727144565 /nfs/dbraw/zinc/14/45/65/727144565.db2.gz MUVGJKBESWIWCZ-AEFFLSMTSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993355354 727158331 /nfs/dbraw/zinc/15/83/31/727158331.db2.gz VGVABMFIDIUCQX-RDJZCZTQSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993355354 727158332 /nfs/dbraw/zinc/15/83/32/727158332.db2.gz VGVABMFIDIUCQX-RDJZCZTQSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993402075 727208789 /nfs/dbraw/zinc/20/87/89/727208789.db2.gz YNIRRVYZWFMGIS-HOCLYGCPSA-N 2 2 335.517 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1C ZINC000993402075 727208791 /nfs/dbraw/zinc/20/87/91/727208791.db2.gz YNIRRVYZWFMGIS-HOCLYGCPSA-N 2 2 335.517 2.969 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993615989 727326886 /nfs/dbraw/zinc/32/68/86/727326886.db2.gz PSCQDGNOAGGAME-CJNGLKHVSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993615989 727326889 /nfs/dbraw/zinc/32/68/89/727326889.db2.gz PSCQDGNOAGGAME-CJNGLKHVSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991446001 727821439 /nfs/dbraw/zinc/82/14/39/727821439.db2.gz KBWUMRJKZLXUSN-IMFGXOCKSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991446001 727821440 /nfs/dbraw/zinc/82/14/40/727821440.db2.gz KBWUMRJKZLXUSN-IMFGXOCKSA-N 2 2 342.487 2.525 20 30 EFEDLP COc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC001647551748 1089531508 /nfs/dbraw/zinc/53/15/08/1089531508.db2.gz AJDKOLRCPDGKOX-SFHVURJKSA-N 2 2 345.487 2.550 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066731 1090760852 /nfs/dbraw/zinc/76/08/52/1090760852.db2.gz RWHRPTRAOQNGDM-DOTOQJQBSA-N 2 2 328.416 2.821 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066731 1090760858 /nfs/dbraw/zinc/76/08/58/1090760858.db2.gz RWHRPTRAOQNGDM-DOTOQJQBSA-N 2 2 328.416 2.821 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cc1Cl ZINC001580069512 1090761704 /nfs/dbraw/zinc/76/17/04/1090761704.db2.gz ALKYXYDUTXFISL-KSSFIOAISA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cc1Cl ZINC001580069512 1090761707 /nfs/dbraw/zinc/76/17/07/1090761707.db2.gz ALKYXYDUTXFISL-KSSFIOAISA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cc1Cl ZINC001580069513 1090761981 /nfs/dbraw/zinc/76/19/81/1090761981.db2.gz ALKYXYDUTXFISL-RDTXWAMCSA-N 2 2 346.862 2.601 20 30 EFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cc1Cl ZINC001580069513 1090761983 /nfs/dbraw/zinc/76/19/83/1090761983.db2.gz ALKYXYDUTXFISL-RDTXWAMCSA-N 2 2 346.862 2.601 20 30 EFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414336 1092820367 /nfs/dbraw/zinc/82/03/67/1092820367.db2.gz QGJMUNYYLIGCPR-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104435779 1093207294 /nfs/dbraw/zinc/20/72/94/1093207294.db2.gz FNZQLPBGBDQALU-CRAIPNDOSA-N 2 2 327.472 2.718 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203158262 1093211298 /nfs/dbraw/zinc/21/12/98/1093211298.db2.gz CYDAOGNTVDNHNY-IAGOWNOFSA-N 2 2 338.455 2.931 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@@H]21 ZINC001087293159 1095024167 /nfs/dbraw/zinc/02/41/67/1095024167.db2.gz ZGEFLMKLIKDHRE-ZTFGCOKTSA-N 2 2 338.455 2.968 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@@H]21 ZINC001087293159 1095024181 /nfs/dbraw/zinc/02/41/81/1095024181.db2.gz ZGEFLMKLIKDHRE-ZTFGCOKTSA-N 2 2 338.455 2.968 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001481519225 1095075638 /nfs/dbraw/zinc/07/56/38/1095075638.db2.gz XRWOHPMHYMUXGL-OAHLLOKOSA-N 2 2 338.883 2.757 20 30 EFEDLP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001481519225 1095075650 /nfs/dbraw/zinc/07/56/50/1095075650.db2.gz XRWOHPMHYMUXGL-OAHLLOKOSA-N 2 2 338.883 2.757 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942228 1097545661 /nfs/dbraw/zinc/54/56/61/1097545661.db2.gz FLFRIUUFGJFLIV-INIZCTEOSA-N 2 2 332.492 2.584 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441783 1100661297 /nfs/dbraw/zinc/66/12/97/1100661297.db2.gz FVPOKSAHBCLGOR-DLBZAZTESA-N 2 2 332.492 2.940 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441785 1100670965 /nfs/dbraw/zinc/67/09/65/1100670965.db2.gz FVPOKSAHBCLGOR-IRXDYDNUSA-N 2 2 332.492 2.940 20 30 EFEDLP C[C@@H]1CC([NH+]2CCN(CCC#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051111 1101496914 /nfs/dbraw/zinc/49/69/14/1101496914.db2.gz GFOYESVSSCUFMT-RTBURBONSA-N 2 2 340.515 2.959 20 30 EFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345146 1101963267 /nfs/dbraw/zinc/96/32/67/1101963267.db2.gz CQAQZOKOMKEZMF-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001210116352 1102280775 /nfs/dbraw/zinc/28/07/75/1102280775.db2.gz FLAGKVIUNUNXTG-KRWDZBQOSA-N 2 2 340.471 2.732 20 30 EFEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001088430141 1103577347 /nfs/dbraw/zinc/57/73/47/1103577347.db2.gz ISKHSYOSQICPKE-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001088430141 1103577353 /nfs/dbraw/zinc/57/73/53/1103577353.db2.gz ISKHSYOSQICPKE-KRWDZBQOSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168380781 1104137578 /nfs/dbraw/zinc/13/75/78/1104137578.db2.gz UHFVXQNBEJHDGJ-PZJWPPBQSA-N 2 2 348.531 2.935 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168380781 1104137585 /nfs/dbraw/zinc/13/75/85/1104137585.db2.gz UHFVXQNBEJHDGJ-PZJWPPBQSA-N 2 2 348.531 2.935 20 30 EFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112536971 1104202976 /nfs/dbraw/zinc/20/29/76/1104202976.db2.gz JJUQFLRUAXNNRU-AOIWGVFYSA-N 2 2 330.476 2.629 20 30 EFEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105541702 1105899143 /nfs/dbraw/zinc/89/91/43/1105899143.db2.gz IHKUTFMKBNVBGY-GOSISDBHSA-N 2 2 342.487 2.507 20 30 EFEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105541702 1105899150 /nfs/dbraw/zinc/89/91/50/1105899150.db2.gz IHKUTFMKBNVBGY-GOSISDBHSA-N 2 2 342.487 2.507 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542049 1105899830 /nfs/dbraw/zinc/89/98/30/1105899830.db2.gz NYPOQTJGPSUBMP-QGZVFWFLSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542049 1105899834 /nfs/dbraw/zinc/89/98/34/1105899834.db2.gz NYPOQTJGPSUBMP-QGZVFWFLSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542048 1105899951 /nfs/dbraw/zinc/89/99/51/1105899951.db2.gz NYPOQTJGPSUBMP-KRWDZBQOSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542048 1105899958 /nfs/dbraw/zinc/89/99/58/1105899958.db2.gz NYPOQTJGPSUBMP-KRWDZBQOSA-N 2 2 330.476 2.669 20 30 EFEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566747 1105944106 /nfs/dbraw/zinc/94/41/06/1105944106.db2.gz UISNLJXUVWPQEC-ROUUACIJSA-N 2 2 342.487 2.608 20 30 EFEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001105575037 1105961734 /nfs/dbraw/zinc/96/17/34/1105961734.db2.gz PSADXSQYOHEBMI-GOSISDBHSA-N 2 2 344.503 2.680 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576557 1105964234 /nfs/dbraw/zinc/96/42/34/1105964234.db2.gz HIXPGXCRNCTEEY-KRWDZBQOSA-N 2 2 330.476 2.588 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896964 1106945896 /nfs/dbraw/zinc/94/58/96/1106945896.db2.gz LHDLIJQUNFEQJY-OAGGEKHMSA-N 2 2 327.900 2.582 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272478469 1108452440 /nfs/dbraw/zinc/45/24/40/1108452440.db2.gz KYSZLGCKJDJXBS-IBGZPJMESA-N 2 2 332.492 2.778 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272478469 1108452446 /nfs/dbraw/zinc/45/24/46/1108452446.db2.gz KYSZLGCKJDJXBS-IBGZPJMESA-N 2 2 332.492 2.778 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288799 1111328713 /nfs/dbraw/zinc/32/87/13/1111328713.db2.gz RSXMEBHOLFKFNQ-KURKYZTESA-N 2 2 332.492 2.731 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288800 1111328802 /nfs/dbraw/zinc/32/88/02/1111328802.db2.gz RSXMEBHOLFKFNQ-KZNAEPCWSA-N 2 2 332.492 2.731 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419736 1111510357 /nfs/dbraw/zinc/51/03/57/1111510357.db2.gz SUJMMCFTSPPFBT-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001106829008 1111888418 /nfs/dbraw/zinc/88/84/18/1111888418.db2.gz YNEWOOISIDHWMQ-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423841 1112109278 /nfs/dbraw/zinc/10/92/78/1112109278.db2.gz PDMAINHPQAHGSW-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423841 1112109282 /nfs/dbraw/zinc/10/92/82/1112109282.db2.gz PDMAINHPQAHGSW-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441488 1112149016 /nfs/dbraw/zinc/14/90/16/1112149016.db2.gz HNIFDFTXPBQSFM-MRXNPFEDSA-N 2 2 338.455 2.578 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089441488 1112149020 /nfs/dbraw/zinc/14/90/20/1112149020.db2.gz HNIFDFTXPBQSFM-MRXNPFEDSA-N 2 2 338.455 2.578 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)C ZINC001089654421 1112531221 /nfs/dbraw/zinc/53/12/21/1112531221.db2.gz ZBSOESWVXGMPSX-OALUTQOASA-N 2 2 347.547 2.737 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)C ZINC001089654421 1112531225 /nfs/dbraw/zinc/53/12/25/1112531225.db2.gz ZBSOESWVXGMPSX-OALUTQOASA-N 2 2 347.547 2.737 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001089654421 1112531228 /nfs/dbraw/zinc/53/12/28/1112531228.db2.gz ZBSOESWVXGMPSX-OALUTQOASA-N 2 2 347.547 2.737 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001089654421 1112531231 /nfs/dbraw/zinc/53/12/31/1112531231.db2.gz ZBSOESWVXGMPSX-OALUTQOASA-N 2 2 347.547 2.737 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657439 1112578676 /nfs/dbraw/zinc/57/86/76/1112578676.db2.gz DBBFSDUGTGYKIP-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657439 1112578681 /nfs/dbraw/zinc/57/86/81/1112578681.db2.gz DBBFSDUGTGYKIP-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659039 1112589117 /nfs/dbraw/zinc/58/91/17/1112589117.db2.gz RFXJQQKZBOVASP-HOTGVXAUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659039 1112589119 /nfs/dbraw/zinc/58/91/19/1112589119.db2.gz RFXJQQKZBOVASP-HOTGVXAUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659039 1112589121 /nfs/dbraw/zinc/58/91/21/1112589121.db2.gz RFXJQQKZBOVASP-HOTGVXAUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659039 1112589122 /nfs/dbraw/zinc/58/91/22/1112589122.db2.gz RFXJQQKZBOVASP-HOTGVXAUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089661485 1112600940 /nfs/dbraw/zinc/60/09/40/1112600940.db2.gz XIZYICUQAGXTLN-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001089661485 1112600941 /nfs/dbraw/zinc/60/09/41/1112600941.db2.gz XIZYICUQAGXTLN-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089661922 1112602532 /nfs/dbraw/zinc/60/25/32/1112602532.db2.gz ZUWGDXLBCKBZLM-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001089661922 1112602537 /nfs/dbraw/zinc/60/25/37/1112602537.db2.gz ZUWGDXLBCKBZLM-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001272700170 1118438298 /nfs/dbraw/zinc/43/82/98/1118438298.db2.gz SSFLUFWWSXXCAL-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001272700170 1118438300 /nfs/dbraw/zinc/43/83/00/1118438300.db2.gz SSFLUFWWSXXCAL-QZTJIDSGSA-N 2 2 330.476 2.695 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106923057 1118581771 /nfs/dbraw/zinc/58/17/71/1118581771.db2.gz ZYUHHHCLDZUOBV-NVXWUHKLSA-N 2 2 334.508 2.915 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473973 1119052136 /nfs/dbraw/zinc/05/21/36/1119052136.db2.gz NXYPNSDGHMUUJS-KRWDZBQOSA-N 2 2 332.492 2.816 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473973 1119052140 /nfs/dbraw/zinc/05/21/40/1119052140.db2.gz NXYPNSDGHMUUJS-KRWDZBQOSA-N 2 2 332.492 2.816 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943519695 1119533887 /nfs/dbraw/zinc/53/38/87/1119533887.db2.gz YIOMXWBJKRXXAM-AEFFLSMTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943519695 1119533891 /nfs/dbraw/zinc/53/38/91/1119533891.db2.gz YIOMXWBJKRXXAM-AEFFLSMTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090521 1120560782 /nfs/dbraw/zinc/56/07/82/1120560782.db2.gz KXNGDKFLXUDCSO-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090521 1120560785 /nfs/dbraw/zinc/56/07/85/1120560785.db2.gz KXNGDKFLXUDCSO-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090521 1120560790 /nfs/dbraw/zinc/56/07/90/1120560790.db2.gz KXNGDKFLXUDCSO-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090521 1120560796 /nfs/dbraw/zinc/56/07/96/1120560796.db2.gz KXNGDKFLXUDCSO-DOTOQJQBSA-N 2 2 347.528 2.509 20 30 EFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1C#N ZINC000187363470 529903642 /nfs/dbraw/zinc/90/36/42/529903642.db2.gz ANGPZFXNXINEFL-UHFFFAOYSA-N 2 2 334.895 2.669 20 30 EFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1C#N ZINC000187363470 529903643 /nfs/dbraw/zinc/90/36/43/529903643.db2.gz ANGPZFXNXINEFL-UHFFFAOYSA-N 2 2 334.895 2.669 20 30 EFEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262517165 240359588 /nfs/dbraw/zinc/35/95/88/240359588.db2.gz NCMWDPYQEJLBLE-INIZCTEOSA-N 2 2 349.438 2.773 20 30 EFEDLP C[NH+]=C(NCc1cn[nH]c1C)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262584838 240361247 /nfs/dbraw/zinc/36/12/47/240361247.db2.gz RZFJACASCKXPFB-UHFFFAOYSA-N 2 2 346.523 2.572 20 30 EFEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354591 201053646 /nfs/dbraw/zinc/05/36/46/201053646.db2.gz AYVLAILTLTUPBB-OAQYLSRUSA-N 2 2 335.451 2.939 20 30 EFEDLP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354591 201053650 /nfs/dbraw/zinc/05/36/50/201053650.db2.gz AYVLAILTLTUPBB-OAQYLSRUSA-N 2 2 335.451 2.939 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265946408 201217997 /nfs/dbraw/zinc/21/79/97/201217997.db2.gz GNXUVCWRROERMB-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265946408 201218001 /nfs/dbraw/zinc/21/80/01/201218001.db2.gz GNXUVCWRROERMB-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265946408 201218004 /nfs/dbraw/zinc/21/80/04/201218004.db2.gz GNXUVCWRROERMB-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265946408 201218008 /nfs/dbraw/zinc/21/80/08/201218008.db2.gz GNXUVCWRROERMB-DLBZAZTESA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1Cl ZINC000269354550 201232553 /nfs/dbraw/zinc/23/25/53/201232553.db2.gz LUIGALPWZNWXGV-UHFFFAOYSA-N 2 2 338.879 2.793 20 30 EFEDLP C=CCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1Cl ZINC000269354550 201232557 /nfs/dbraw/zinc/23/25/57/201232557.db2.gz LUIGALPWZNWXGV-UHFFFAOYSA-N 2 2 338.879 2.793 20 30 EFEDLP C=C[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270418706 201239442 /nfs/dbraw/zinc/23/94/42/201239442.db2.gz KJHICOMRLGFMBB-GOSISDBHSA-N 2 2 343.515 2.831 20 30 EFEDLP C=C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270418706 201239445 /nfs/dbraw/zinc/23/94/45/201239445.db2.gz KJHICOMRLGFMBB-GOSISDBHSA-N 2 2 343.515 2.831 20 30 EFEDLP C=CCC(CC=C)C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000275645563 201285254 /nfs/dbraw/zinc/28/52/54/201285254.db2.gz KGFDTKHOJCFFGC-KRWDZBQOSA-N 2 2 342.487 2.659 20 30 EFEDLP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262003479 240339583 /nfs/dbraw/zinc/33/95/83/240339583.db2.gz UYYNLCBNKPWTKB-SWLSCSKDSA-N 2 2 346.504 2.615 20 30 EFEDLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC([NH+]2CCCCC2)CC1 ZINC000328605319 241208180 /nfs/dbraw/zinc/20/81/80/241208180.db2.gz JKKOZJMCVHSWCV-MRXNPFEDSA-N 2 2 345.491 2.625 20 30 EFEDLP C[C@H]1C[C@@H](C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000329165397 241317227 /nfs/dbraw/zinc/31/72/27/241317227.db2.gz HDLGPVKASHZPGK-BPUTZDHNSA-N 2 2 334.464 2.575 20 30 EFEDLP C[C@H]1C[C@@H](C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329165397 241317228 /nfs/dbraw/zinc/31/72/28/241317228.db2.gz HDLGPVKASHZPGK-BPUTZDHNSA-N 2 2 334.464 2.575 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000329415811 241364836 /nfs/dbraw/zinc/36/48/36/241364836.db2.gz CXZOIBLSNUHNGX-KRWDZBQOSA-N 2 2 346.475 2.639 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000329415811 241364845 /nfs/dbraw/zinc/36/48/45/241364845.db2.gz CXZOIBLSNUHNGX-KRWDZBQOSA-N 2 2 346.475 2.639 20 30 EFEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC1([NH+](C)C)CCCC1)C2 ZINC000329273206 241338647 /nfs/dbraw/zinc/33/86/47/241338647.db2.gz IWPYJXKMAOGGER-UHFFFAOYSA-N 2 2 347.507 2.690 20 30 EFEDLP Cc1ccc(CCC[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c[nH+]1 ZINC000354655539 242009290 /nfs/dbraw/zinc/00/92/90/242009290.db2.gz GOIOAVBPXNUMPH-FQEVSTJZSA-N 2 2 348.450 2.980 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000070036958 203071359 /nfs/dbraw/zinc/07/13/59/203071359.db2.gz XLQYKAVTBNPIGZ-ROUUACIJSA-N 2 2 326.488 2.549 20 30 EFEDLP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)O1 ZINC000414267128 244068348 /nfs/dbraw/zinc/06/83/48/244068348.db2.gz SMIQHDSYZCOXOZ-GJYPPUQNSA-N 2 2 327.472 2.926 20 30 EFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(C)C ZINC000414301232 244081850 /nfs/dbraw/zinc/08/18/50/244081850.db2.gz SRTBLRPWXJLKDK-WOJBJXKFSA-N 2 2 329.488 2.908 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759227 203244137 /nfs/dbraw/zinc/24/41/37/203244137.db2.gz LLFDMOUCFAUWDS-QAPCUYQASA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759227 203244141 /nfs/dbraw/zinc/24/41/41/203244141.db2.gz LLFDMOUCFAUWDS-QAPCUYQASA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759227 203244145 /nfs/dbraw/zinc/24/41/45/203244145.db2.gz LLFDMOUCFAUWDS-QAPCUYQASA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072759227 203244146 /nfs/dbraw/zinc/24/41/46/203244146.db2.gz LLFDMOUCFAUWDS-QAPCUYQASA-N 2 2 328.460 2.691 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129371375 205191697 /nfs/dbraw/zinc/19/16/97/205191697.db2.gz UWIURBDQYJNQKU-RDJZCZTQSA-N 2 2 340.427 2.725 20 30 EFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129371375 205191701 /nfs/dbraw/zinc/19/17/01/205191701.db2.gz UWIURBDQYJNQKU-RDJZCZTQSA-N 2 2 340.427 2.725 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772876 205309453 /nfs/dbraw/zinc/30/94/53/205309453.db2.gz WIYMBSCCCKEWDL-IIDMSEBBSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772876 205309458 /nfs/dbraw/zinc/30/94/58/205309458.db2.gz WIYMBSCCCKEWDL-IIDMSEBBSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247772877 205309688 /nfs/dbraw/zinc/30/96/88/205309688.db2.gz WIYMBSCCCKEWDL-RKVPGOIHSA-N 2 2 337.427 2.665 20 30 EFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247772877 205309693 /nfs/dbraw/zinc/30/96/93/205309693.db2.gz WIYMBSCCCKEWDL-RKVPGOIHSA-N 2 2 337.427 2.665 20 30 EFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551361 206198774 /nfs/dbraw/zinc/19/87/74/206198774.db2.gz XNFGXWJNYCPUMA-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551361 206198779 /nfs/dbraw/zinc/19/87/79/206198779.db2.gz XNFGXWJNYCPUMA-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551361 206198782 /nfs/dbraw/zinc/19/87/82/206198782.db2.gz XNFGXWJNYCPUMA-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000158551361 206198786 /nfs/dbraw/zinc/19/87/86/206198786.db2.gz XNFGXWJNYCPUMA-SJORKVTESA-N 2 2 337.427 2.524 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000266099899 248096291 /nfs/dbraw/zinc/09/62/91/248096291.db2.gz KCNLKZHIJNWMGK-GFCCVEGCSA-N 2 2 334.851 2.613 20 30 EFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000443999856 250246744 /nfs/dbraw/zinc/24/67/44/250246744.db2.gz FDTKXYCIJYGGRQ-FGZHOGPDSA-N 2 2 349.478 2.839 20 30 EFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000443999856 250246746 /nfs/dbraw/zinc/24/67/46/250246746.db2.gz FDTKXYCIJYGGRQ-FGZHOGPDSA-N 2 2 349.478 2.839 20 30 EFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000267432777 251052051 /nfs/dbraw/zinc/05/20/51/251052051.db2.gz ZAWPAILKCCMLGN-ZDUSSCGKSA-N 2 2 343.456 2.778 20 30 EFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000267432777 251052054 /nfs/dbraw/zinc/05/20/54/251052054.db2.gz ZAWPAILKCCMLGN-ZDUSSCGKSA-N 2 2 343.456 2.778 20 30 EFEDLP C=C(C)C[NH+]1CCC(Nc2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000450318699 251343681 /nfs/dbraw/zinc/34/36/81/251343681.db2.gz OJLAOWFOYFZKMK-UHFFFAOYSA-N 2 2 325.460 2.570 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C#N)c1C ZINC000118868645 221199209 /nfs/dbraw/zinc/19/92/09/221199209.db2.gz QIJNYPGPXAMKBS-CQSZACIVSA-N 2 2 346.475 2.759 20 30 EFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143984 145378197 /nfs/dbraw/zinc/37/81/97/145378197.db2.gz SKLOJIIALNHMMT-LAUBAEHRSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143984 145378198 /nfs/dbraw/zinc/37/81/98/145378198.db2.gz SKLOJIIALNHMMT-LAUBAEHRSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352810686 146322455 /nfs/dbraw/zinc/32/24/55/146322455.db2.gz OEKCLVMOQWQGOU-ZDUSSCGKSA-N 2 2 341.377 2.777 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289335 149116920 /nfs/dbraw/zinc/11/69/20/149116920.db2.gz JJAMIYGWJXFCCE-NHCUHLMSSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289335 149116921 /nfs/dbraw/zinc/11/69/21/149116921.db2.gz JJAMIYGWJXFCCE-NHCUHLMSSA-N 3 2 338.499 2.739 20 30 EFEDLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292193749 270024655 /nfs/dbraw/zinc/02/46/55/270024655.db2.gz NHUDOEOWAGTKIO-MRXNPFEDSA-N 2 2 338.411 2.627 20 30 EFEDLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000292193749 270024656 /nfs/dbraw/zinc/02/46/56/270024656.db2.gz NHUDOEOWAGTKIO-MRXNPFEDSA-N 2 2 338.411 2.627 20 30 EFEDLP CC(C)(C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271849898 266078434 /nfs/dbraw/zinc/07/84/34/266078434.db2.gz IJYRYOZNWHYNAD-IBGZPJMESA-N 2 2 329.488 2.909 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(O)CCCCC3)CC2)cc1 ZINC000271912409 266094474 /nfs/dbraw/zinc/09/44/74/266094474.db2.gz YEXFLWDZFZPMLO-UHFFFAOYSA-N 2 2 327.472 2.807 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(CO)c3)CC2)cc1 ZINC000271914863 268064671 /nfs/dbraw/zinc/06/46/71/268064671.db2.gz YOTABOFMRSHUKF-UHFFFAOYSA-N 2 2 335.451 2.805 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccccc3)CC2)cc1 ZINC000271845727 268064970 /nfs/dbraw/zinc/06/49/70/268064970.db2.gz HTBMTOMJBPTMEE-NRFANRHFSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000360648195 278210653 /nfs/dbraw/zinc/21/06/53/278210653.db2.gz PUTODXGCLBNLDC-UZLBHIALSA-N 2 2 327.472 2.884 20 30 EFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000556242873 318385338 /nfs/dbraw/zinc/38/53/38/318385338.db2.gz WXLZWGSLJPCYOO-IRLDBZIGSA-N 2 2 347.462 2.554 20 30 EFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CC2 ZINC000556242873 318385339 /nfs/dbraw/zinc/38/53/39/318385339.db2.gz WXLZWGSLJPCYOO-IRLDBZIGSA-N 2 2 347.462 2.554 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000574440831 319862642 /nfs/dbraw/zinc/86/26/42/319862642.db2.gz GCXYVAZQOSQJPE-SFHVURJKSA-N 3 2 326.488 2.502 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000580343364 324145600 /nfs/dbraw/zinc/14/56/00/324145600.db2.gz MLQQKTRQBHWCRD-UHFFFAOYSA-N 2 2 329.407 2.824 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000137460835 473206365 /nfs/dbraw/zinc/20/63/65/473206365.db2.gz KFMMWTYKFODNIA-MRXNPFEDSA-N 2 2 345.487 2.573 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176913717 473266426 /nfs/dbraw/zinc/26/64/26/473266426.db2.gz YKRMNQMUXDSSFB-LJQANCHMSA-N 2 2 341.455 2.688 20 30 EFEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000619720060 479865063 /nfs/dbraw/zinc/86/50/63/479865063.db2.gz XEFUGZCPCFJFTR-SFHVURJKSA-N 2 2 328.456 2.702 20 30 EFEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000619720060 479865068 /nfs/dbraw/zinc/86/50/68/479865068.db2.gz XEFUGZCPCFJFTR-SFHVURJKSA-N 2 2 328.456 2.702 20 30 EFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccs1 ZINC000083029880 473314326 /nfs/dbraw/zinc/31/43/26/473314326.db2.gz BPTLTBXHZOZTIH-LSDHHAIUSA-N 2 2 344.484 2.779 20 30 EFEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000067122481 471994424 /nfs/dbraw/zinc/99/44/24/471994424.db2.gz YVMNXCJWCZWVCJ-IBGZPJMESA-N 2 2 345.487 2.552 20 30 EFEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000076897780 472420626 /nfs/dbraw/zinc/42/06/26/472420626.db2.gz KHTANWIZKXYGTP-KRWDZBQOSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)ccc1OC ZINC000120337922 472670657 /nfs/dbraw/zinc/67/06/57/472670657.db2.gz VCCCZZGFKBJVGQ-QGZVFWFLSA-N 2 2 348.487 2.708 20 30 EFEDLP C#CCC[NH+]1CCN(c2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000091480587 472772638 /nfs/dbraw/zinc/77/26/38/472772638.db2.gz OKBWRWZORZQJST-UHFFFAOYSA-N 2 2 337.423 2.557 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092666115 472958335 /nfs/dbraw/zinc/95/83/35/472958335.db2.gz FBZVUTARWLZFRF-IYBDPMFKSA-N 2 2 332.517 2.610 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092666115 472958342 /nfs/dbraw/zinc/95/83/42/472958342.db2.gz FBZVUTARWLZFRF-IYBDPMFKSA-N 2 2 332.517 2.610 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092746966 472979677 /nfs/dbraw/zinc/97/96/77/472979677.db2.gz DKSLTLAZIAKDQP-INIZCTEOSA-N 2 2 329.488 2.666 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017407 473028527 /nfs/dbraw/zinc/02/85/27/473028527.db2.gz QJSPVWLQIFHHKS-IEBWSBKVSA-N 2 2 343.471 2.522 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017407 473028533 /nfs/dbraw/zinc/02/85/33/473028533.db2.gz QJSPVWLQIFHHKS-IEBWSBKVSA-N 2 2 343.471 2.522 20 30 EFEDLP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000066243080 473063150 /nfs/dbraw/zinc/06/31/50/473063150.db2.gz BXZRZUBRIIZYPM-KRWDZBQOSA-N 2 2 337.471 2.624 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000159864027 473067803 /nfs/dbraw/zinc/06/78/03/473067803.db2.gz HRACFZWKOCDXNU-UHFFFAOYSA-N 2 2 341.842 2.917 20 30 EFEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961118 473113742 /nfs/dbraw/zinc/11/37/42/473113742.db2.gz IKEOXSHKWHGLQI-INIZCTEOSA-N 2 2 337.427 2.536 20 30 EFEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961118 473113757 /nfs/dbraw/zinc/11/37/57/473113757.db2.gz IKEOXSHKWHGLQI-INIZCTEOSA-N 2 2 337.427 2.536 20 30 EFEDLP C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728348 473499114 /nfs/dbraw/zinc/49/91/14/473499114.db2.gz DBUOUNXCRQAKSH-HIFRSBDPSA-N 2 2 346.500 2.801 20 30 EFEDLP C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728348 473499117 /nfs/dbraw/zinc/49/91/17/473499117.db2.gz DBUOUNXCRQAKSH-HIFRSBDPSA-N 2 2 346.500 2.801 20 30 EFEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000185799877 473517352 /nfs/dbraw/zinc/51/73/52/473517352.db2.gz BSBLEHJAEDHMNK-HKUYNNGSSA-N 2 2 343.471 2.570 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135555 473597793 /nfs/dbraw/zinc/59/77/93/473597793.db2.gz WUXKULQHHLWZDM-UXHICEINSA-N 2 2 347.547 2.976 20 30 EFEDLP CC#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135555 473597796 /nfs/dbraw/zinc/59/77/96/473597796.db2.gz WUXKULQHHLWZDM-UXHICEINSA-N 2 2 347.547 2.976 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000281497298 473741485 /nfs/dbraw/zinc/74/14/85/473741485.db2.gz FICYZNGBLJXDQU-CJNGLKHVSA-N 2 2 336.399 2.604 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000179995703 473772593 /nfs/dbraw/zinc/77/25/93/473772593.db2.gz XKJNPJKDBVJVIC-IBGZPJMESA-N 2 2 340.471 2.516 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246354002 473836572 /nfs/dbraw/zinc/83/65/72/473836572.db2.gz JUHKTJARQKAHPX-MSOLQXFVSA-N 2 2 342.487 2.514 20 30 EFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246354002 473836574 /nfs/dbraw/zinc/83/65/74/473836574.db2.gz JUHKTJARQKAHPX-MSOLQXFVSA-N 2 2 342.487 2.514 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180489182 473889396 /nfs/dbraw/zinc/88/93/96/473889396.db2.gz VIIADUITVYMJDO-RDJZCZTQSA-N 2 2 337.508 2.920 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180489199 473889542 /nfs/dbraw/zinc/88/95/42/473889542.db2.gz VIIADUITVYMJDO-WBVHZDCISA-N 2 2 337.508 2.920 20 30 EFEDLP C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000181278009 474022389 /nfs/dbraw/zinc/02/23/89/474022389.db2.gz RWSQJBVTAGVTFS-UHFFFAOYSA-N 2 2 333.501 2.682 20 30 EFEDLP C=C(C)C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000181278009 474022392 /nfs/dbraw/zinc/02/23/92/474022392.db2.gz RWSQJBVTAGVTFS-UHFFFAOYSA-N 2 2 333.501 2.682 20 30 EFEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349859 474033025 /nfs/dbraw/zinc/03/30/25/474033025.db2.gz AKYQRGXXPOVFTN-MOPGFXCFSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000282349859 474033033 /nfs/dbraw/zinc/03/30/33/474033033.db2.gz AKYQRGXXPOVFTN-MOPGFXCFSA-N 2 2 341.499 2.664 20 30 EFEDLP Cc1ncc(C[NH+](C)CC#CC[N@@H+](C)Cc2cnc(C)s2)s1 ZINC000283979732 474541684 /nfs/dbraw/zinc/54/16/84/474541684.db2.gz FRVUHKJNGLFOSK-UHFFFAOYSA-N 2 2 334.514 2.784 20 30 EFEDLP Cc1ncc(C[NH+](C)CC#CC[N@H+](C)Cc2cnc(C)s2)s1 ZINC000283979732 474541691 /nfs/dbraw/zinc/54/16/91/474541691.db2.gz FRVUHKJNGLFOSK-UHFFFAOYSA-N 2 2 334.514 2.784 20 30 EFEDLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000290361270 474568122 /nfs/dbraw/zinc/56/81/22/474568122.db2.gz MTKSWEPECVZHQJ-FQEVSTJZSA-N 2 2 348.450 2.980 20 30 EFEDLP COc1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000267024971 474568145 /nfs/dbraw/zinc/56/81/45/474568145.db2.gz SLEUQDABDRWSDM-UHFFFAOYSA-N 2 2 331.391 2.733 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277061070 474576747 /nfs/dbraw/zinc/57/67/47/474576747.db2.gz DCPSIABEUVDNCE-ROUUACIJSA-N 2 2 342.487 2.738 20 30 EFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277061070 474576752 /nfs/dbraw/zinc/57/67/52/474576752.db2.gz DCPSIABEUVDNCE-ROUUACIJSA-N 2 2 342.487 2.738 20 30 EFEDLP C=CCOc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000291031721 474590943 /nfs/dbraw/zinc/59/09/43/474590943.db2.gz IWGYNOILIMQSTH-UHFFFAOYSA-N 2 2 346.471 2.759 20 30 EFEDLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000271871496 474597237 /nfs/dbraw/zinc/59/72/37/474597237.db2.gz MVGUYHCEWJNVOA-IBGZPJMESA-N 2 2 339.439 2.747 20 30 EFEDLP CC(C)(CCCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271885107 474597866 /nfs/dbraw/zinc/59/78/66/474597866.db2.gz QJTDAEPWKCRENN-UHFFFAOYSA-N 2 2 329.488 2.911 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337274987 474849757 /nfs/dbraw/zinc/84/97/57/474849757.db2.gz QBCVYTZWTWOEOL-FDYSRKEFSA-N 2 2 348.535 2.723 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337274987 474849763 /nfs/dbraw/zinc/84/97/63/474849763.db2.gz QBCVYTZWTWOEOL-FDYSRKEFSA-N 2 2 348.535 2.723 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258190 480132404 /nfs/dbraw/zinc/13/24/04/480132404.db2.gz OCPBMCMVTOSFKN-UKRRQHHQSA-N 2 2 341.415 2.629 20 30 EFEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609258190 480132411 /nfs/dbraw/zinc/13/24/11/480132411.db2.gz OCPBMCMVTOSFKN-UKRRQHHQSA-N 2 2 341.415 2.629 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ncc(C(C)(C)C)o2)cc1 ZINC000268523288 475030794 /nfs/dbraw/zinc/03/07/94/475030794.db2.gz VIKSUSYXWWZVOX-UHFFFAOYSA-N 2 2 330.432 2.871 20 30 EFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285614049 475033716 /nfs/dbraw/zinc/03/37/16/475033716.db2.gz KKEMJAPNRHJGKB-KRWDZBQOSA-N 2 2 326.488 2.991 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000268564432 475035214 /nfs/dbraw/zinc/03/52/14/475035214.db2.gz PRVZMCVWBZZFBK-VQTJNVASSA-N 2 2 326.488 2.743 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000268564432 475035219 /nfs/dbraw/zinc/03/52/19/475035219.db2.gz PRVZMCVWBZZFBK-VQTJNVASSA-N 2 2 326.488 2.743 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccn(C3CCCC3)n2)cc1 ZINC000268608519 475037541 /nfs/dbraw/zinc/03/75/41/475037541.db2.gz RAGGLDFQPUIFPI-UHFFFAOYSA-N 2 2 341.459 2.897 20 30 EFEDLP C[NH+](CCC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1)Cc1ccco1 ZINC000285793214 475041320 /nfs/dbraw/zinc/04/13/20/475041320.db2.gz UUEVBYDVBOEBOH-LJQANCHMSA-N 2 2 327.428 2.639 20 30 EFEDLP C[NH+](CCC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1)Cc1ccco1 ZINC000285793214 475041327 /nfs/dbraw/zinc/04/13/27/475041327.db2.gz UUEVBYDVBOEBOH-LJQANCHMSA-N 2 2 327.428 2.639 20 30 EFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000285793214 475041334 /nfs/dbraw/zinc/04/13/34/475041334.db2.gz UUEVBYDVBOEBOH-LJQANCHMSA-N 2 2 327.428 2.639 20 30 EFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000285793214 475041341 /nfs/dbraw/zinc/04/13/41/475041341.db2.gz UUEVBYDVBOEBOH-LJQANCHMSA-N 2 2 327.428 2.639 20 30 EFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000295034929 475098582 /nfs/dbraw/zinc/09/85/82/475098582.db2.gz OYDGEMHHJJWFAN-IIBYNOLFSA-N 2 2 335.451 2.628 20 30 EFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000295034929 475098588 /nfs/dbraw/zinc/09/85/88/475098588.db2.gz OYDGEMHHJJWFAN-IIBYNOLFSA-N 2 2 335.451 2.628 20 30 EFEDLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)on1 ZINC000329716030 475118640 /nfs/dbraw/zinc/11/86/40/475118640.db2.gz VWFOCZPNZWMNIY-MRXNPFEDSA-N 2 2 334.464 2.949 20 30 EFEDLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)on1 ZINC000329716030 475118645 /nfs/dbraw/zinc/11/86/45/475118645.db2.gz VWFOCZPNZWMNIY-MRXNPFEDSA-N 2 2 334.464 2.949 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329720965 475120076 /nfs/dbraw/zinc/12/00/76/475120076.db2.gz DSDBJIAKVGKLHQ-AYBZRNKSSA-N 2 2 338.455 2.923 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329720965 475120087 /nfs/dbraw/zinc/12/00/87/475120087.db2.gz DSDBJIAKVGKLHQ-AYBZRNKSSA-N 2 2 338.455 2.923 20 30 EFEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000329738369 475124326 /nfs/dbraw/zinc/12/43/26/475124326.db2.gz MTAHZJCADOKQGO-IAGOWNOFSA-N 2 2 341.459 2.615 20 30 EFEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000329738369 475124337 /nfs/dbraw/zinc/12/43/37/475124337.db2.gz MTAHZJCADOKQGO-IAGOWNOFSA-N 2 2 341.459 2.615 20 30 EFEDLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000329801658 475136283 /nfs/dbraw/zinc/13/62/83/475136283.db2.gz JATFKIOWKIUOAQ-NVXWUHKLSA-N 2 2 345.491 2.558 20 30 EFEDLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000329801658 475136289 /nfs/dbraw/zinc/13/62/89/475136289.db2.gz JATFKIOWKIUOAQ-NVXWUHKLSA-N 2 2 345.491 2.558 20 30 EFEDLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[N@H+]1C ZINC000329810974 475137855 /nfs/dbraw/zinc/13/78/55/475137855.db2.gz MQOKJSBDEJTACC-NVXWUHKLSA-N 2 2 345.491 2.558 20 30 EFEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000329852605 475146496 /nfs/dbraw/zinc/14/64/96/475146496.db2.gz UUYYZBVVJVSIFD-UHFFFAOYSA-N 2 2 342.399 2.649 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281359625 475185738 /nfs/dbraw/zinc/18/57/38/475185738.db2.gz FOZDZRVTDZRJOJ-UHFFFAOYSA-N 2 2 326.444 2.621 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330283804 475223446 /nfs/dbraw/zinc/22/34/46/475223446.db2.gz WPRVEZWDPKQOMM-OAGGEKHMSA-N 2 2 333.480 2.827 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330283804 475223451 /nfs/dbraw/zinc/22/34/51/475223451.db2.gz WPRVEZWDPKQOMM-OAGGEKHMSA-N 2 2 333.480 2.827 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330301775 475225838 /nfs/dbraw/zinc/22/58/38/475225838.db2.gz NZAHTGVOEXSDBJ-WBVHZDCISA-N 2 2 345.491 2.828 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000330301775 475225844 /nfs/dbraw/zinc/22/58/44/475225844.db2.gz NZAHTGVOEXSDBJ-WBVHZDCISA-N 2 2 345.491 2.828 20 30 EFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677475 475654364 /nfs/dbraw/zinc/65/43/64/475654364.db2.gz HGONOPZFVWLJCL-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677475 475654374 /nfs/dbraw/zinc/65/43/74/475654374.db2.gz HGONOPZFVWLJCL-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677475 475654381 /nfs/dbraw/zinc/65/43/81/475654381.db2.gz HGONOPZFVWLJCL-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677475 475654386 /nfs/dbraw/zinc/65/43/86/475654386.db2.gz HGONOPZFVWLJCL-DLBZAZTESA-N 2 2 337.427 2.524 20 30 EFEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)ccc1C#N ZINC000353609885 476122007 /nfs/dbraw/zinc/12/20/07/476122007.db2.gz LDHNWWLIWHZLST-UHFFFAOYSA-N 2 2 336.439 2.716 20 30 EFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144074 476164326 /nfs/dbraw/zinc/16/43/26/476164326.db2.gz SSCKHZLESGCNEP-UWJYYQICSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144074 476164334 /nfs/dbraw/zinc/16/43/34/476164334.db2.gz SSCKHZLESGCNEP-UWJYYQICSA-N 2 2 335.451 2.846 20 30 EFEDLP N#CCCn1cc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c(-c2ccccc2)n1 ZINC000353684855 476186802 /nfs/dbraw/zinc/18/68/02/476186802.db2.gz TXWPIUYYSASFRU-MJGOQNOKSA-N 2 2 335.455 2.648 20 30 EFEDLP N#CCCn1cc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c(-c2ccccc2)n1 ZINC000353684855 476186811 /nfs/dbraw/zinc/18/68/11/476186811.db2.gz TXWPIUYYSASFRU-MJGOQNOKSA-N 2 2 335.455 2.648 20 30 EFEDLP C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000360648192 476329229 /nfs/dbraw/zinc/32/92/29/476329229.db2.gz PUTODXGCLBNLDC-JXFKEZNVSA-N 2 2 327.472 2.884 20 30 EFEDLP CC[NH+]1CCN(c2ccccc2C[N@H+](C[C@H](C)C#N)C2CC2)CC1 ZINC000354025356 476373405 /nfs/dbraw/zinc/37/34/05/476373405.db2.gz CGHHYLXDZZXMDP-QGZVFWFLSA-N 2 2 326.488 2.953 20 30 EFEDLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C[C@H](C)C#N)C2CC2)CC1 ZINC000354025356 476373409 /nfs/dbraw/zinc/37/34/09/476373409.db2.gz CGHHYLXDZZXMDP-QGZVFWFLSA-N 2 2 326.488 2.953 20 30 EFEDLP C=CCCCCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000351920240 476506079 /nfs/dbraw/zinc/50/60/79/476506079.db2.gz YLWUSZZZUFVUNZ-UHFFFAOYSA-N 2 2 344.503 2.799 20 30 EFEDLP C=CCCCCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000351920240 476506092 /nfs/dbraw/zinc/50/60/92/476506092.db2.gz YLWUSZZZUFVUNZ-UHFFFAOYSA-N 2 2 344.503 2.799 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430625834 476882903 /nfs/dbraw/zinc/88/29/03/476882903.db2.gz LIWPRJXDRFHBIR-HZPDHXFCSA-N 2 2 335.517 2.583 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430625834 476882908 /nfs/dbraw/zinc/88/29/08/476882908.db2.gz LIWPRJXDRFHBIR-HZPDHXFCSA-N 2 2 335.517 2.583 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000430824204 476922498 /nfs/dbraw/zinc/92/24/98/476922498.db2.gz POIMEPWUTXURAG-SFHVURJKSA-N 2 2 341.455 2.758 20 30 EFEDLP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578243 477075328 /nfs/dbraw/zinc/07/53/28/477075328.db2.gz UIAZDOGXTJOTHP-OALUTQOASA-N 3 2 326.488 2.652 20 30 EFEDLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000367370886 477476945 /nfs/dbraw/zinc/47/69/45/477476945.db2.gz NBIHJCOXUNEULS-FQEVSTJZSA-N 2 2 348.450 2.585 20 30 EFEDLP C=CCc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc(OC)c1O ZINC000376727250 477477160 /nfs/dbraw/zinc/47/71/60/477477160.db2.gz CNLCPOWPOISPES-UHFFFAOYSA-N 2 2 327.428 2.952 20 30 EFEDLP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000449635693 477569255 /nfs/dbraw/zinc/56/92/55/477569255.db2.gz YIQYTXAAIAHGRY-QRWLVFNGSA-N 2 2 327.472 2.926 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000515404059 477819145 /nfs/dbraw/zinc/81/91/45/477819145.db2.gz HNKMIFZGADPYQM-QKNQBKEWSA-N 3 2 338.499 2.500 20 30 EFEDLP C=CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000438973771 477913407 /nfs/dbraw/zinc/91/34/07/477913407.db2.gz AMRJQZAOCFJGCB-HXUWFJFHSA-N 3 2 328.504 2.928 20 30 EFEDLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(F)c1C#N ZINC000428980385 478019447 /nfs/dbraw/zinc/01/94/47/478019447.db2.gz OCOPTEZOPBQQSP-UHFFFAOYSA-N 2 2 332.467 2.547 20 30 EFEDLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(F)c1C#N ZINC000428980385 478019452 /nfs/dbraw/zinc/01/94/52/478019452.db2.gz OCOPTEZOPBQQSP-UHFFFAOYSA-N 2 2 332.467 2.547 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000534325244 478144487 /nfs/dbraw/zinc/14/44/87/478144487.db2.gz XBRFAKWKMASHAU-GOSISDBHSA-N 2 2 330.476 2.940 20 30 EFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451679440 478153889 /nfs/dbraw/zinc/15/38/89/478153889.db2.gz GYIXCBXASNJZTE-ZCNNSNEGSA-N 2 2 330.472 2.601 20 30 EFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451679440 478153894 /nfs/dbraw/zinc/15/38/94/478153894.db2.gz GYIXCBXASNJZTE-ZCNNSNEGSA-N 2 2 330.472 2.601 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccc(C#N)c3)c2cc1C ZINC000561491404 478190111 /nfs/dbraw/zinc/19/01/11/478190111.db2.gz ZOEYRWLLRILKSJ-SFHVURJKSA-N 2 2 334.423 2.676 20 30 EFEDLP CC(C)(C)OC(=O)NC(=C[NH2+]Nc1cc[nH+]cc1)CC(F)(F)F ZINC000495721532 478284932 /nfs/dbraw/zinc/28/49/32/478284932.db2.gz QQVIVESQWNDANL-NSHDSACASA-N 2 2 332.326 2.747 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049283 478410948 /nfs/dbraw/zinc/41/09/48/478410948.db2.gz SVVLNIPRNRBKGQ-SQNIBIBYSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000527049283 478410955 /nfs/dbraw/zinc/41/09/55/478410955.db2.gz SVVLNIPRNRBKGQ-SQNIBIBYSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000527049283 478410959 /nfs/dbraw/zinc/41/09/59/478410959.db2.gz SVVLNIPRNRBKGQ-SQNIBIBYSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000527049283 478410963 /nfs/dbraw/zinc/41/09/63/478410963.db2.gz SVVLNIPRNRBKGQ-SQNIBIBYSA-N 2 2 346.519 2.524 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349509 478422475 /nfs/dbraw/zinc/42/24/75/478422475.db2.gz IQHQYNADEWCJLH-MTYUVTTFSA-N 2 2 340.471 2.716 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349509 478422482 /nfs/dbraw/zinc/42/24/82/478422482.db2.gz IQHQYNADEWCJLH-MTYUVTTFSA-N 2 2 340.471 2.716 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000491167824 478459432 /nfs/dbraw/zinc/45/94/32/478459432.db2.gz ZSYKUMHMNIRWRC-AWEZNQCLSA-N 2 2 331.851 2.526 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000491167824 478459438 /nfs/dbraw/zinc/45/94/38/478459438.db2.gz ZSYKUMHMNIRWRC-AWEZNQCLSA-N 2 2 331.851 2.526 20 30 EFEDLP C=CCCSCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000594718905 478511430 /nfs/dbraw/zinc/51/14/30/478511430.db2.gz XDSHTRXSJUTMDL-INIZCTEOSA-N 2 2 333.501 2.913 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccnn3CC3CC3)CC2)c1 ZINC000594949259 478600838 /nfs/dbraw/zinc/60/08/38/478600838.db2.gz PMNQASOWDNIFEE-UHFFFAOYSA-N 2 2 349.482 2.919 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000496310161 478646432 /nfs/dbraw/zinc/64/64/32/478646432.db2.gz RJVCJKTVTDSWGH-LJQANCHMSA-N 2 2 343.471 2.638 20 30 EFEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000564861399 478837193 /nfs/dbraw/zinc/83/71/93/478837193.db2.gz AEUYXQMMYWPTOK-LJQANCHMSA-N 2 2 330.476 2.907 20 30 EFEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000564861399 478837203 /nfs/dbraw/zinc/83/72/03/478837203.db2.gz AEUYXQMMYWPTOK-LJQANCHMSA-N 2 2 330.476 2.907 20 30 EFEDLP CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000598591542 478915592 /nfs/dbraw/zinc/91/55/92/478915592.db2.gz BLUAVNJLDFHSNP-GOSISDBHSA-N 2 2 344.503 2.921 20 30 EFEDLP CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000598591542 478915598 /nfs/dbraw/zinc/91/55/98/478915598.db2.gz BLUAVNJLDFHSNP-GOSISDBHSA-N 2 2 344.503 2.921 20 30 EFEDLP N#C[C@@H]1CC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000565989455 479082693 /nfs/dbraw/zinc/08/26/93/479082693.db2.gz RRLSBIHXLLUVJS-CABCVRRESA-N 2 2 339.443 2.542 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000566126402 479085774 /nfs/dbraw/zinc/08/57/74/479085774.db2.gz ZANMNMRMPUKKBU-ZWOKBUDYSA-N 2 2 343.471 2.585 20 30 EFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@H](C#N)CCC#N)CC2)c1 ZINC000567678205 479111851 /nfs/dbraw/zinc/11/18/51/479111851.db2.gz NARVMHRLYBHWMO-IBGZPJMESA-N 2 2 339.487 2.540 20 30 EFEDLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)C[C@@H](C)O1 ZINC000548788356 479129372 /nfs/dbraw/zinc/12/93/72/479129372.db2.gz NPZQDJBXTYTGDP-HLIPFELVSA-N 2 2 340.471 2.829 20 30 EFEDLP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000569569473 479144753 /nfs/dbraw/zinc/14/47/53/479144753.db2.gz WVMPACQTKWFVNO-IBGZPJMESA-N 2 2 344.503 2.994 20 30 EFEDLP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000569569473 479144758 /nfs/dbraw/zinc/14/47/58/479144758.db2.gz WVMPACQTKWFVNO-IBGZPJMESA-N 2 2 344.503 2.994 20 30 EFEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954667 479216890 /nfs/dbraw/zinc/21/68/90/479216890.db2.gz XCFMFKHNWNCLJV-HXUWFJFHSA-N 3 2 340.515 2.843 20 30 EFEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954667 479216895 /nfs/dbraw/zinc/21/68/95/479216895.db2.gz XCFMFKHNWNCLJV-HXUWFJFHSA-N 3 2 340.515 2.843 20 30 EFEDLP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316968 479291694 /nfs/dbraw/zinc/29/16/94/479291694.db2.gz DFASPPDICLCMOV-FUHWJXTLSA-N 3 2 326.488 2.500 20 30 EFEDLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320212 479293896 /nfs/dbraw/zinc/29/38/96/479293896.db2.gz AQXLJKLQHPUNTK-UZLBHIALSA-N 3 2 326.488 2.500 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000593323321 479294764 /nfs/dbraw/zinc/29/47/64/479294764.db2.gz UFVXQVPTTXDQCT-QKNQBKEWSA-N 3 2 338.499 2.500 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602499152 479369950 /nfs/dbraw/zinc/36/99/50/479369950.db2.gz NFVGDIRUBPIWSE-IEBWSBKVSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602499152 479369954 /nfs/dbraw/zinc/36/99/54/479369954.db2.gz NFVGDIRUBPIWSE-IEBWSBKVSA-N 2 2 327.472 2.949 20 30 EFEDLP C[C@H]1C[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000593693319 479424952 /nfs/dbraw/zinc/42/49/52/479424952.db2.gz UHTHXPWSKLGUKF-OXJNMPFZSA-N 2 2 338.499 2.737 20 30 EFEDLP C[C@H]1C[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000593693319 479424956 /nfs/dbraw/zinc/42/49/56/479424956.db2.gz UHTHXPWSKLGUKF-OXJNMPFZSA-N 2 2 338.499 2.737 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cn4ccccc4n3)CC2)c1 ZINC000593693113 479425839 /nfs/dbraw/zinc/42/58/39/479425839.db2.gz POIWASZDDZXMHK-UHFFFAOYSA-N 2 2 345.450 2.960 20 30 EFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000593695102 479426819 /nfs/dbraw/zinc/42/68/19/479426819.db2.gz IFXFXBSUFSFLHY-INIZCTEOSA-N 2 2 327.472 2.927 20 30 EFEDLP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593720644 479433815 /nfs/dbraw/zinc/43/38/15/479433815.db2.gz IXUDEWCWBVAJER-FQEVSTJZSA-N 2 2 349.482 2.923 20 30 EFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCOC1 ZINC000593720071 479434160 /nfs/dbraw/zinc/43/41/60/479434160.db2.gz GBWGIULGEHUXFL-ICSRJNTNSA-N 2 2 327.472 2.927 20 30 EFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCOC1 ZINC000593720072 479434217 /nfs/dbraw/zinc/43/42/17/479434217.db2.gz GBWGIULGEHUXFL-QUCCMNQESA-N 2 2 327.472 2.927 20 30 EFEDLP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593723532 479435298 /nfs/dbraw/zinc/43/52/98/479435298.db2.gz XIGKZGOHCUVDHY-HNNXBMFYSA-N 2 2 337.471 2.915 20 30 EFEDLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)nn1C ZINC000593725038 479435522 /nfs/dbraw/zinc/43/55/22/479435522.db2.gz ICFAYJXMPVDQNP-INIZCTEOSA-N 2 2 337.471 2.915 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000593723734 479435577 /nfs/dbraw/zinc/43/55/77/479435577.db2.gz YBOMRUQIXJUBKN-UZLBHIALSA-N 3 2 326.488 2.595 20 30 EFEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593723734 479435581 /nfs/dbraw/zinc/43/55/81/479435581.db2.gz YBOMRUQIXJUBKN-UZLBHIALSA-N 3 2 326.488 2.595 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000644607928 480468202 /nfs/dbraw/zinc/46/82/02/480468202.db2.gz ZSHAVTFXKFQSCT-IBGZPJMESA-N 2 2 326.440 2.691 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)nn1 ZINC000639274845 481086892 /nfs/dbraw/zinc/08/68/92/481086892.db2.gz KUWKEEJDTYHYKC-FXAWDEMLSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)nn1 ZINC000639274845 481086895 /nfs/dbraw/zinc/08/68/95/481086895.db2.gz KUWKEEJDTYHYKC-FXAWDEMLSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000653610148 481360935 /nfs/dbraw/zinc/36/09/35/481360935.db2.gz ZEUWFVPLGYYCLK-MJGOQNOKSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000653610148 481360944 /nfs/dbraw/zinc/36/09/44/481360944.db2.gz ZEUWFVPLGYYCLK-MJGOQNOKSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nn1 ZINC000653612698 481363467 /nfs/dbraw/zinc/36/34/67/481363467.db2.gz AUZSENNFLULEPP-UHFFFAOYSA-N 2 2 328.464 2.743 20 30 EFEDLP C=CC[C@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000660573542 482034053 /nfs/dbraw/zinc/03/40/53/482034053.db2.gz IFDDUJYOZVKWMT-KRWDZBQOSA-N 2 2 348.535 2.543 20 30 EFEDLP C=CCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000665944508 482117944 /nfs/dbraw/zinc/11/79/44/482117944.db2.gz QNYAQSIASGAVLZ-MSOLQXFVSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665944508 482117947 /nfs/dbraw/zinc/11/79/47/482117947.db2.gz QNYAQSIASGAVLZ-MSOLQXFVSA-N 2 2 336.524 2.541 20 30 EFEDLP C=C(C)C[NH+]1CCC(Nc2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000663567715 482303339 /nfs/dbraw/zinc/30/33/39/482303339.db2.gz KOZJVLQCDQWZCL-UHFFFAOYSA-N 2 2 343.479 2.616 20 30 EFEDLP C=CCC(CC=C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422009476 534559979 /nfs/dbraw/zinc/55/99/79/534559979.db2.gz BEFLWHOIOARNBY-UHFFFAOYSA-N 2 2 333.520 2.773 20 30 EFEDLP C=CCC(CC=C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422009476 534559991 /nfs/dbraw/zinc/55/99/91/534559991.db2.gz BEFLWHOIOARNBY-UHFFFAOYSA-N 2 2 333.520 2.773 20 30 EFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425338 521493263 /nfs/dbraw/zinc/49/32/63/521493263.db2.gz KPUDSBNURVZXKJ-WBVHZDCISA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425338 521493272 /nfs/dbraw/zinc/49/32/72/521493272.db2.gz KPUDSBNURVZXKJ-WBVHZDCISA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425338 521493277 /nfs/dbraw/zinc/49/32/77/521493277.db2.gz KPUDSBNURVZXKJ-WBVHZDCISA-N 2 2 328.460 2.549 20 30 EFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000245425338 521493284 /nfs/dbraw/zinc/49/32/84/521493284.db2.gz KPUDSBNURVZXKJ-WBVHZDCISA-N 2 2 328.460 2.549 20 30 EFEDLP COc1cccc2c1CC[N@H+](Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000194572159 524215431 /nfs/dbraw/zinc/21/54/31/524215431.db2.gz REWBJSCNFOWHJI-UHFFFAOYSA-N 2 2 332.407 2.815 20 30 EFEDLP COc1cccc2c1CC[N@@H+](Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000194572159 524215442 /nfs/dbraw/zinc/21/54/42/524215442.db2.gz REWBJSCNFOWHJI-UHFFFAOYSA-N 2 2 332.407 2.815 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092666120 524578110 /nfs/dbraw/zinc/57/81/10/524578110.db2.gz FBZVUTARWLZFRF-HZPDHXFCSA-N 2 2 332.517 2.610 20 30 EFEDLP C[NH+]=C(NCCSC(F)(F)F)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179225574 526362866 /nfs/dbraw/zinc/36/28/66/526362866.db2.gz HFBVNTOQPQRDJY-NEPJUHHUSA-N 2 2 349.426 2.594 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000177904788 526452245 /nfs/dbraw/zinc/45/22/45/526452245.db2.gz GJZYGPWRGIQPDY-KRWDZBQOSA-N 3 2 331.504 2.928 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000171728728 526583812 /nfs/dbraw/zinc/58/38/12/526583812.db2.gz WAYSSHHOYLWSQU-UHFFFAOYSA-N 2 2 326.444 2.501 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)cc1 ZINC000245945691 526609910 /nfs/dbraw/zinc/60/99/10/526609910.db2.gz VRTLWAFOKKUIOU-WGSAOQKQSA-N 2 2 327.472 2.663 20 30 EFEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000181800753 527866502 /nfs/dbraw/zinc/86/65/02/527866502.db2.gz ZSGJYQPFKSKGQF-ZCNNSNEGSA-N 2 2 339.483 2.926 20 30 EFEDLP CC[NH+]=C(NCC(C)(C)SC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160037530 528802442 /nfs/dbraw/zinc/80/24/42/528802442.db2.gz PKONFKWUYQWPRC-LSDHHAIUSA-N 2 2 337.537 2.873 20 30 EFEDLP CC[NH+]=C(NCc1ccc(C)nc1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160095445 528817289 /nfs/dbraw/zinc/81/72/89/528817289.db2.gz FSBIKQWDBDGVDY-MAUKXSAKSA-N 2 2 340.475 2.635 20 30 EFEDLP CCc1cnc(CNC(=[NH+]C)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000261944402 536032772 /nfs/dbraw/zinc/03/27/72/536032772.db2.gz FJLFTGBHVAMWAN-ZFWWWQNUSA-N 2 2 346.504 2.561 20 30 EFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778740 536394834 /nfs/dbraw/zinc/39/48/34/536394834.db2.gz LWUOCKUGUXZQOF-SFHVURJKSA-N 2 2 330.432 2.606 20 30 EFEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778740 536394835 /nfs/dbraw/zinc/39/48/35/536394835.db2.gz LWUOCKUGUXZQOF-SFHVURJKSA-N 2 2 330.432 2.606 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778740 536394839 /nfs/dbraw/zinc/39/48/39/536394839.db2.gz LWUOCKUGUXZQOF-SFHVURJKSA-N 2 2 330.432 2.606 20 30 EFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778740 536394842 /nfs/dbraw/zinc/39/48/42/536394842.db2.gz LWUOCKUGUXZQOF-SFHVURJKSA-N 2 2 330.432 2.606 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)nn1 ZINC000657379728 547137372 /nfs/dbraw/zinc/13/73/72/547137372.db2.gz ASZIMJWWWPDYOY-GOSISDBHSA-N 2 2 336.443 2.661 20 30 EFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000657831801 547296716 /nfs/dbraw/zinc/29/67/16/547296716.db2.gz BRXVOTASYONDPR-MOPGFXCFSA-N 2 2 343.519 2.713 20 30 EFEDLP CC[NH+](CC)CCCC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758247438 575864675 /nfs/dbraw/zinc/86/46/75/575864675.db2.gz IFPWKRVHLYMENP-UHFFFAOYSA-N 2 2 344.503 2.820 20 30 EFEDLP C[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@@H+]1Cc1ccccc1 ZINC000761857422 576221301 /nfs/dbraw/zinc/22/13/01/576221301.db2.gz JFLRUKOKPOMVEC-OAHLLOKOSA-N 2 2 347.426 2.725 20 30 EFEDLP C[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@H+]1Cc1ccccc1 ZINC000761857422 576221302 /nfs/dbraw/zinc/22/13/02/576221302.db2.gz JFLRUKOKPOMVEC-OAHLLOKOSA-N 2 2 347.426 2.725 20 30 EFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000764626964 576481039 /nfs/dbraw/zinc/48/10/39/576481039.db2.gz OLQNEXYDKKEIHT-PXNSSMCTSA-N 2 2 330.472 2.706 20 30 EFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000764626964 576481042 /nfs/dbraw/zinc/48/10/42/576481042.db2.gz OLQNEXYDKKEIHT-PXNSSMCTSA-N 2 2 330.472 2.706 20 30 EFEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000766711676 577179243 /nfs/dbraw/zinc/17/92/43/577179243.db2.gz UFCHFYXBGSPRDT-UHFFFAOYSA-N 2 2 326.238 2.572 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943517515 1253084570 /nfs/dbraw/zinc/08/45/70/1253084570.db2.gz OZOVZAXUSYTUOJ-FUHWJXTLSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943517515 1253084575 /nfs/dbraw/zinc/08/45/75/1253084575.db2.gz OZOVZAXUSYTUOJ-FUHWJXTLSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCC[NH+]1CCC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001006231866 1265925503 /nfs/dbraw/zinc/92/55/03/1265925503.db2.gz DVNZTDYYCFXGJV-UHFFFAOYSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC000995944295 1254859668 /nfs/dbraw/zinc/85/96/68/1254859668.db2.gz BGMMHMSQBVEAAK-AWEZNQCLSA-N 2 2 338.883 2.506 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1(C)C ZINC000996667928 1255689901 /nfs/dbraw/zinc/68/99/01/1255689901.db2.gz XEQXCCQRNDWVMT-KRWDZBQOSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CC1(C)C ZINC000996667928 1255689907 /nfs/dbraw/zinc/68/99/07/1255689907.db2.gz XEQXCCQRNDWVMT-KRWDZBQOSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386510 1255719835 /nfs/dbraw/zinc/71/98/35/1255719835.db2.gz TVFNVGSANVDVBM-VQIMIIECSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386510 1255719841 /nfs/dbraw/zinc/71/98/41/1255719841.db2.gz TVFNVGSANVDVBM-VQIMIIECSA-N 2 2 330.476 2.669 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997177254 1257197924 /nfs/dbraw/zinc/19/79/24/1257197924.db2.gz NVYHDPFZSOHPMD-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997182846 1257216056 /nfs/dbraw/zinc/21/60/56/1257216056.db2.gz INLJUGJSHKBSCQ-RHSMWYFYSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997182846 1257216063 /nfs/dbraw/zinc/21/60/63/1257216063.db2.gz INLJUGJSHKBSCQ-RHSMWYFYSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997303643 1257383628 /nfs/dbraw/zinc/38/36/28/1257383628.db2.gz KDOAKFHIXPPOFY-KBAYOESNSA-N 2 2 344.503 2.707 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001203545467 1257694218 /nfs/dbraw/zinc/69/42/18/1257694218.db2.gz XSXYMIRMJMWXTG-UHFFFAOYSA-N 2 2 334.508 2.904 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045130 1259017301 /nfs/dbraw/zinc/01/73/01/1259017301.db2.gz JGGHGAXTRYHTQB-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045130 1259017309 /nfs/dbraw/zinc/01/73/09/1259017309.db2.gz JGGHGAXTRYHTQB-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051906 1259034652 /nfs/dbraw/zinc/03/46/52/1259034652.db2.gz NQVDBOOYOHFKHV-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051906 1259034661 /nfs/dbraw/zinc/03/46/61/1259034661.db2.gz NQVDBOOYOHFKHV-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998063304 1259054004 /nfs/dbraw/zinc/05/40/04/1259054004.db2.gz KZWAIYVIIWCUPE-KRWDZBQOSA-N 2 2 338.455 2.674 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998063304 1259054012 /nfs/dbraw/zinc/05/40/12/1259054012.db2.gz KZWAIYVIIWCUPE-KRWDZBQOSA-N 2 2 338.455 2.674 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998115960 1259130969 /nfs/dbraw/zinc/13/09/69/1259130969.db2.gz MFVFNORCPIAVAR-IAGOWNOFSA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126309 1259138968 /nfs/dbraw/zinc/13/89/68/1259138968.db2.gz NUGVYHXXBBFJBT-RCCFBDPRSA-N 2 2 344.503 2.803 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126309 1259138973 /nfs/dbraw/zinc/13/89/73/1259138973.db2.gz NUGVYHXXBBFJBT-RCCFBDPRSA-N 2 2 344.503 2.803 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC000921703685 1261207434 /nfs/dbraw/zinc/20/74/34/1261207434.db2.gz ZFRBRWAFPOUWTN-MRXNPFEDSA-N 2 2 346.471 2.757 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC000921703683 1261207726 /nfs/dbraw/zinc/20/77/26/1261207726.db2.gz ZFRBRWAFPOUWTN-INIZCTEOSA-N 2 2 346.471 2.757 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001078626027 1262073349 /nfs/dbraw/zinc/07/33/49/1262073349.db2.gz KCYYXQIQCXJWPE-IAGOWNOFSA-N 2 2 338.455 2.849 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001078681275 1262172663 /nfs/dbraw/zinc/17/26/63/1262172663.db2.gz XWEDPRWCEPYNME-CABCVRRESA-N 2 2 344.846 2.717 20 30 EFEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078768824 1262303205 /nfs/dbraw/zinc/30/32/05/1262303205.db2.gz WUUZYBUQMXOSFF-ZWKOTPCHSA-N 2 2 336.439 2.689 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079203 1266439473 /nfs/dbraw/zinc/43/94/73/1266439473.db2.gz UTFKXMBVSQZFTF-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079203 1266439478 /nfs/dbraw/zinc/43/94/78/1266439478.db2.gz UTFKXMBVSQZFTF-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852244 1264532150 /nfs/dbraw/zinc/53/21/50/1264532150.db2.gz OLQLWNPIUDESNK-SJLPKXTDSA-N 2 2 347.890 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852244 1264532158 /nfs/dbraw/zinc/53/21/58/1264532158.db2.gz OLQLWNPIUDESNK-SJLPKXTDSA-N 2 2 347.890 2.647 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849743 1264536119 /nfs/dbraw/zinc/53/61/19/1264536119.db2.gz RMDMQIZMPMVOMO-QZTJIDSGSA-N 2 2 347.890 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849743 1264536125 /nfs/dbraw/zinc/53/61/25/1264536125.db2.gz RMDMQIZMPMVOMO-QZTJIDSGSA-N 2 2 347.890 2.647 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004471655 1267117355 /nfs/dbraw/zinc/11/73/55/1267117355.db2.gz XQSVMPUEGBUZGS-GOSISDBHSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004471655 1267117357 /nfs/dbraw/zinc/11/73/57/1267117357.db2.gz XQSVMPUEGBUZGS-GOSISDBHSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004594010 1267356619 /nfs/dbraw/zinc/35/66/19/1267356619.db2.gz WQDMKUAYICBVPM-KRWDZBQOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004594010 1267356628 /nfs/dbraw/zinc/35/66/28/1267356628.db2.gz WQDMKUAYICBVPM-KRWDZBQOSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598281 1267371755 /nfs/dbraw/zinc/37/17/55/1267371755.db2.gz VZXBQIFDBYSXBB-QGZVFWFLSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598281 1267371763 /nfs/dbraw/zinc/37/17/63/1267371763.db2.gz VZXBQIFDBYSXBB-QGZVFWFLSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623390 1267403796 /nfs/dbraw/zinc/40/37/96/1267403796.db2.gz HCHVLOXXPGDXCJ-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623390 1267403800 /nfs/dbraw/zinc/40/38/00/1267403800.db2.gz HCHVLOXXPGDXCJ-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151611 1267452481 /nfs/dbraw/zinc/45/24/81/1267452481.db2.gz KHHHNVIVYBPUCG-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151611 1267452483 /nfs/dbraw/zinc/45/24/83/1267452483.db2.gz KHHHNVIVYBPUCG-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033151611 1267452485 /nfs/dbraw/zinc/45/24/85/1267452485.db2.gz KHHHNVIVYBPUCG-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033151611 1267452490 /nfs/dbraw/zinc/45/24/90/1267452490.db2.gz KHHHNVIVYBPUCG-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773191 1268443921 /nfs/dbraw/zinc/44/39/21/1268443921.db2.gz OPHNHXNLXZLXBH-BBWFWOEESA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773191 1268443925 /nfs/dbraw/zinc/44/39/25/1268443925.db2.gz OPHNHXNLXZLXBH-BBWFWOEESA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905700 1269025719 /nfs/dbraw/zinc/02/57/19/1269025719.db2.gz NQIJNIBHNSUYNU-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905700 1269025732 /nfs/dbraw/zinc/02/57/32/1269025732.db2.gz NQIJNIBHNSUYNU-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825222605 1278469821 /nfs/dbraw/zinc/46/98/21/1278469821.db2.gz KTOTUSXTSQVJES-UHFFFAOYSA-N 2 2 325.250 2.895 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573741 1269474107 /nfs/dbraw/zinc/47/41/07/1269474107.db2.gz JEDOCFCMRNUNED-IRXDYDNUSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573741 1269474112 /nfs/dbraw/zinc/47/41/12/1269474112.db2.gz JEDOCFCMRNUNED-IRXDYDNUSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573741 1269474114 /nfs/dbraw/zinc/47/41/14/1269474114.db2.gz JEDOCFCMRNUNED-IRXDYDNUSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573741 1269474119 /nfs/dbraw/zinc/47/41/19/1269474119.db2.gz JEDOCFCMRNUNED-IRXDYDNUSA-N 2 2 341.927 2.926 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683888 1278509434 /nfs/dbraw/zinc/50/94/34/1278509434.db2.gz ACGIPRGSEJRKCJ-IEBWSBKVSA-N 2 2 329.488 2.788 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(C)cc(F)c2)CC1 ZINC001143619569 1270053492 /nfs/dbraw/zinc/05/34/92/1270053492.db2.gz UWRTWOIJYGIHBT-UHFFFAOYSA-N 2 2 331.479 2.926 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033834888 1270306268 /nfs/dbraw/zinc/30/62/68/1270306268.db2.gz YUXAPOJRVOFVIN-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033834888 1270306281 /nfs/dbraw/zinc/30/62/81/1270306281.db2.gz YUXAPOJRVOFVIN-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033882524 1270478517 /nfs/dbraw/zinc/47/85/17/1270478517.db2.gz ZSWYSVOUEXJIAL-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033882524 1270478523 /nfs/dbraw/zinc/47/85/23/1270478523.db2.gz ZSWYSVOUEXJIAL-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033882524 1270478529 /nfs/dbraw/zinc/47/85/29/1270478529.db2.gz ZSWYSVOUEXJIAL-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033882524 1270478534 /nfs/dbraw/zinc/47/85/34/1270478534.db2.gz ZSWYSVOUEXJIAL-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033908091 1270548766 /nfs/dbraw/zinc/54/87/66/1270548766.db2.gz MIIVQDHKECAGNZ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033908091 1270548768 /nfs/dbraw/zinc/54/87/68/1270548768.db2.gz MIIVQDHKECAGNZ-IBGZPJMESA-N 2 2 338.455 2.985 20 30 EFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000743480977 1270590726 /nfs/dbraw/zinc/59/07/26/1270590726.db2.gz MHMGHEJCOQTLBU-MRXNPFEDSA-N 2 2 325.460 2.755 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001086243931 1270635369 /nfs/dbraw/zinc/63/53/69/1270635369.db2.gz LHFXEGYITWPLEY-FZNQNYSPSA-N 2 2 344.846 2.723 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209363 1271359685 /nfs/dbraw/zinc/35/96/85/1271359685.db2.gz DECCQTIKUSIFPH-MRXNPFEDSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209363 1271359694 /nfs/dbraw/zinc/35/96/94/1271359694.db2.gz DECCQTIKUSIFPH-MRXNPFEDSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218291 1271381534 /nfs/dbraw/zinc/38/15/34/1271381534.db2.gz FJLYMROGNIDATM-KRWDZBQOSA-N 2 2 344.503 2.699 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218291 1271381542 /nfs/dbraw/zinc/38/15/42/1271381542.db2.gz FJLYMROGNIDATM-KRWDZBQOSA-N 2 2 344.503 2.699 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034239407 1271439215 /nfs/dbraw/zinc/43/92/15/1271439215.db2.gz KJJSIXZAAQFBQY-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034239407 1271439222 /nfs/dbraw/zinc/43/92/22/1271439222.db2.gz KJJSIXZAAQFBQY-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034239407 1271439232 /nfs/dbraw/zinc/43/92/32/1271439232.db2.gz KJJSIXZAAQFBQY-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034239407 1271439238 /nfs/dbraw/zinc/43/92/38/1271439238.db2.gz KJJSIXZAAQFBQY-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288169 1271567657 /nfs/dbraw/zinc/56/76/57/1271567657.db2.gz LWLMIXYVNNDAQB-IRXDYDNUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288169 1271567663 /nfs/dbraw/zinc/56/76/63/1271567663.db2.gz LWLMIXYVNNDAQB-IRXDYDNUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288169 1271567668 /nfs/dbraw/zinc/56/76/68/1271567668.db2.gz LWLMIXYVNNDAQB-IRXDYDNUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288169 1271567675 /nfs/dbraw/zinc/56/76/75/1271567675.db2.gz LWLMIXYVNNDAQB-IRXDYDNUSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001034670802 1272482674 /nfs/dbraw/zinc/48/26/74/1272482674.db2.gz CZEKMOLTSWRMAM-HDJSIYSDSA-N 2 2 332.835 2.946 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005580370 1272491637 /nfs/dbraw/zinc/49/16/37/1272491637.db2.gz LMUDFUYSYVTYJK-UHFFFAOYSA-N 2 2 332.492 2.816 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001108711702 1273408489 /nfs/dbraw/zinc/40/84/89/1273408489.db2.gz PCIDXBGMWORYBW-SZMVWBNQSA-N 2 2 343.471 2.568 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108769319 1273457390 /nfs/dbraw/zinc/45/73/90/1273457390.db2.gz NVQCCOLMIRJLQS-JZXOWHBKSA-N 2 2 330.476 2.668 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799008 1273491577 /nfs/dbraw/zinc/49/15/77/1273491577.db2.gz JTZYLJHJIZHWQG-XHSDSOJGSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834197 1273526640 /nfs/dbraw/zinc/52/66/40/1273526640.db2.gz GERISXLMHBYXDI-BZSNNMDCSA-N 2 2 330.476 2.599 20 30 EFEDLP C=CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001005791653 1273563590 /nfs/dbraw/zinc/56/35/90/1273563590.db2.gz WBNGEDSAMFMTOV-UHFFFAOYSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035859664 1274612998 /nfs/dbraw/zinc/61/29/98/1274612998.db2.gz WGTRHFGYXNHZRH-INIZCTEOSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035859664 1274613008 /nfs/dbraw/zinc/61/30/08/1274613008.db2.gz WGTRHFGYXNHZRH-INIZCTEOSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001036102765 1275097175 /nfs/dbraw/zinc/09/71/75/1275097175.db2.gz AJLJRIBQHAUDIF-JSGCOSHPSA-N 2 2 332.835 2.527 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551781 1275126958 /nfs/dbraw/zinc/12/69/58/1275126958.db2.gz PYQYMGKATLDCCN-BXWFABGCSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551829 1275127708 /nfs/dbraw/zinc/12/77/08/1275127708.db2.gz RSNAMOBTKYLABK-PXNSSMCTSA-N 2 2 344.503 2.917 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570292 1275224979 /nfs/dbraw/zinc/22/49/79/1275224979.db2.gz OZVJTESVFMNXIU-SYNHAJSKSA-N 2 2 344.503 2.834 20 30 EFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571726 1275230644 /nfs/dbraw/zinc/23/06/44/1275230644.db2.gz KWHZJKCCNUVYTP-PXNSSMCTSA-N 2 2 344.503 2.537 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001036239037 1275271416 /nfs/dbraw/zinc/27/14/16/1275271416.db2.gz DSOOZUNXJJZJCT-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCCCCC[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170060344 1275453702 /nfs/dbraw/zinc/45/37/02/1275453702.db2.gz KYFCYXKOYWVNCD-UHFFFAOYSA-N 2 2 341.459 2.723 20 30 EFEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)ccc1OC ZINC000817918671 1276375477 /nfs/dbraw/zinc/37/54/77/1276375477.db2.gz MJEFIIFBBNFXGO-ULQDDVLXSA-N 2 2 331.460 2.996 20 30 EFEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817916703 1276375668 /nfs/dbraw/zinc/37/56/68/1276375668.db2.gz AOFNRXNZIJGCOK-PVAVHDDUSA-N 2 2 331.460 2.996 20 30 EFEDLP CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817916697 1276375920 /nfs/dbraw/zinc/37/59/20/1276375920.db2.gz AOFNRXNZIJGCOK-DJIMGWMZSA-N 2 2 331.460 2.996 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001113263129 1277433072 /nfs/dbraw/zinc/43/30/72/1277433072.db2.gz HMLHVQXVQMKBQH-UHFFFAOYSA-N 2 2 333.476 2.845 20 30 EFEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529026 1278011373 /nfs/dbraw/zinc/01/13/73/1278011373.db2.gz ATCDJAPGLRUHJW-LJQANCHMSA-N 2 2 329.488 2.790 20 30 EFEDLP [NH2+]=C(Nc1c[nH+]ccc1N1CCOCC1)c1ccc2cc(O)ccc2c1 ZINC001171185182 1279646503 /nfs/dbraw/zinc/64/65/03/1279646503.db2.gz TXOZWYVLEDLBDT-UHFFFAOYSA-N 2 2 348.406 2.814 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001114283696 1280114717 /nfs/dbraw/zinc/11/47/17/1280114717.db2.gz YCHQECBQWHZBPS-CKNFYHOISA-N 2 2 338.455 2.657 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001114283696 1280114723 /nfs/dbraw/zinc/11/47/23/1280114723.db2.gz YCHQECBQWHZBPS-CKNFYHOISA-N 2 2 338.455 2.657 20 30 EFEDLP C#CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205155 1287476071 /nfs/dbraw/zinc/47/60/71/1287476071.db2.gz UCWQSNOLPLNUJL-FGZHOGPDSA-N 2 2 334.463 2.978 20 30 EFEDLP C#CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000872205155 1287476078 /nfs/dbraw/zinc/47/60/78/1287476078.db2.gz UCWQSNOLPLNUJL-FGZHOGPDSA-N 2 2 334.463 2.978 20 30 EFEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767948 1281255050 /nfs/dbraw/zinc/25/50/50/1281255050.db2.gz URQQNWWPYRQFLE-SFHVURJKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767948 1281255057 /nfs/dbraw/zinc/25/50/57/1281255057.db2.gz URQQNWWPYRQFLE-SFHVURJKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001147883670 1281341253 /nfs/dbraw/zinc/34/12/53/1281341253.db2.gz XNFDQHHNRVISGL-INIZCTEOSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001147883670 1281341263 /nfs/dbraw/zinc/34/12/63/1281341263.db2.gz XNFDQHHNRVISGL-INIZCTEOSA-N 2 2 338.455 2.837 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175631302 1287495520 /nfs/dbraw/zinc/49/55/20/1287495520.db2.gz YGLBOAKZFGLTGK-GXTWGEPZSA-N 2 2 326.872 2.605 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175631302 1287495524 /nfs/dbraw/zinc/49/55/24/1287495524.db2.gz YGLBOAKZFGLTGK-GXTWGEPZSA-N 2 2 326.872 2.605 20 30 EFEDLP C[NH+]1CCC2(C[NH+](Cc3ccc(C#N)cc3Br)C2)CC1 ZINC001137639135 1281430494 /nfs/dbraw/zinc/43/04/94/1281430494.db2.gz NXEAJJMOYJHMRY-UHFFFAOYSA-N 2 2 334.261 2.848 20 30 EFEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148694824 1281712289 /nfs/dbraw/zinc/71/22/89/1281712289.db2.gz JJMRZBMNKRMOCI-UHFFFAOYSA-N 2 2 346.519 2.857 20 30 EFEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001148694824 1281712297 /nfs/dbraw/zinc/71/22/97/1281712297.db2.gz JJMRZBMNKRMOCI-UHFFFAOYSA-N 2 2 346.519 2.857 20 30 EFEDLP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055448 1287531597 /nfs/dbraw/zinc/53/15/97/1287531597.db2.gz FTJHMIHEIHVVBV-IRXDYDNUSA-N 2 2 334.508 2.972 20 30 EFEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945955 1281981254 /nfs/dbraw/zinc/98/12/54/1281981254.db2.gz MHSKYNHRBBGBJF-MSOLQXFVSA-N 2 2 342.487 2.561 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001086934643 1282008884 /nfs/dbraw/zinc/00/88/84/1282008884.db2.gz WGZGCLNMXYMTJE-QGZVFWFLSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125614 1283004908 /nfs/dbraw/zinc/00/49/08/1283004908.db2.gz XNEXIRNZVVULAQ-SJORKVTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125614 1283004918 /nfs/dbraw/zinc/00/49/18/1283004918.db2.gz XNEXIRNZVVULAQ-SJORKVTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222027 1283167591 /nfs/dbraw/zinc/16/75/91/1283167591.db2.gz RWAVBOUUCXEAQI-ROUUACIJSA-N 2 2 332.492 2.989 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222027 1283167595 /nfs/dbraw/zinc/16/75/95/1283167595.db2.gz RWAVBOUUCXEAQI-ROUUACIJSA-N 2 2 332.492 2.989 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444985 1283614677 /nfs/dbraw/zinc/61/46/77/1283614677.db2.gz JPHRWWLZRZOCRP-WBVHZDCISA-N 2 2 332.492 2.976 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001132444985 1283614695 /nfs/dbraw/zinc/61/46/95/1283614695.db2.gz JPHRWWLZRZOCRP-WBVHZDCISA-N 2 2 332.492 2.976 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093372058 1283809360 /nfs/dbraw/zinc/80/93/60/1283809360.db2.gz YLTYIGGUECXQJM-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093372058 1283809367 /nfs/dbraw/zinc/80/93/67/1283809367.db2.gz YLTYIGGUECXQJM-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093372058 1283809376 /nfs/dbraw/zinc/80/93/76/1283809376.db2.gz YLTYIGGUECXQJM-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093372058 1283809387 /nfs/dbraw/zinc/80/93/87/1283809387.db2.gz YLTYIGGUECXQJM-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093372056 1283809776 /nfs/dbraw/zinc/80/97/76/1283809776.db2.gz YLTYIGGUECXQJM-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001093372056 1283809787 /nfs/dbraw/zinc/80/97/87/1283809787.db2.gz YLTYIGGUECXQJM-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093372056 1283809797 /nfs/dbraw/zinc/80/97/97/1283809797.db2.gz YLTYIGGUECXQJM-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001093372056 1283809808 /nfs/dbraw/zinc/80/98/08/1283809808.db2.gz YLTYIGGUECXQJM-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001093382675 1283852715 /nfs/dbraw/zinc/85/27/15/1283852715.db2.gz CSLDWHGZEGFOHD-LJQANCHMSA-N 2 2 342.487 2.540 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001093382675 1283852723 /nfs/dbraw/zinc/85/27/23/1283852723.db2.gz CSLDWHGZEGFOHD-LJQANCHMSA-N 2 2 342.487 2.540 20 30 EFEDLP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093382852 1283854926 /nfs/dbraw/zinc/85/49/26/1283854926.db2.gz CRKUXNUEFQGGHX-IBGZPJMESA-N 2 2 342.487 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001093382852 1283854934 /nfs/dbraw/zinc/85/49/34/1283854934.db2.gz CRKUXNUEFQGGHX-IBGZPJMESA-N 2 2 342.487 2.552 20 30 EFEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823429 1284333778 /nfs/dbraw/zinc/33/37/78/1284333778.db2.gz FWNNISQQHRFWEF-PBHICJAKSA-N 2 2 326.444 2.517 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132823706 1284334131 /nfs/dbraw/zinc/33/41/31/1284334131.db2.gz KOAFFQBCVXRCDK-MAUKXSAKSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869573 1284424221 /nfs/dbraw/zinc/42/42/21/1284424221.db2.gz HDVAFCOKKSJBKY-HZPDHXFCSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869573 1284424226 /nfs/dbraw/zinc/42/42/26/1284424226.db2.gz HDVAFCOKKSJBKY-HZPDHXFCSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086696746 1284450491 /nfs/dbraw/zinc/45/04/91/1284450491.db2.gz ZUFPPTIJVQLUKS-GOEBONIOSA-N 2 2 346.862 2.883 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919201 1284466306 /nfs/dbraw/zinc/46/63/06/1284466306.db2.gz FVKILAVLVYMGHS-RDJZCZTQSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132981871 1284566446 /nfs/dbraw/zinc/56/64/46/1284566446.db2.gz HASKNLSTYCSZDM-DLBZAZTESA-N 2 2 340.471 2.988 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132981986 1284566492 /nfs/dbraw/zinc/56/64/92/1284566492.db2.gz IWYLTQNRWMEULH-JKSUJKDBSA-N 2 2 326.444 2.598 20 30 EFEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133001724 1284590729 /nfs/dbraw/zinc/59/07/29/1284590729.db2.gz FUYQKBBQGUYRGZ-KDOFPFPSSA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135915 1284851206 /nfs/dbraw/zinc/85/12/06/1284851206.db2.gz ZCSZENIWLIIJNL-IRXDYDNUSA-N 2 2 332.492 2.773 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195017 1284973680 /nfs/dbraw/zinc/97/36/80/1284973680.db2.gz NYIUANHRNYOCAZ-IAGOWNOFSA-N 2 2 334.508 2.997 20 30 EFEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001133222956 1285008305 /nfs/dbraw/zinc/00/83/05/1285008305.db2.gz ZFLGTUREUNODOO-AEFFLSMTSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133241797 1285037414 /nfs/dbraw/zinc/03/74/14/1285037414.db2.gz KYIFEAGCKHDRNB-HOTGVXAUSA-N 2 2 332.492 2.728 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363408 1285263905 /nfs/dbraw/zinc/26/39/05/1285263905.db2.gz HZYRPBGLFQDCFF-MSOLQXFVSA-N 2 2 332.492 2.704 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179009195 1289020142 /nfs/dbraw/zinc/02/01/42/1289020142.db2.gz BQXPICFEQCFPEX-LNLFQRSKSA-N 2 2 346.519 2.995 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577211 1285657217 /nfs/dbraw/zinc/65/72/17/1285657217.db2.gz PLWIBZKJHTTYAZ-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595783 1285667150 /nfs/dbraw/zinc/66/71/50/1285667150.db2.gz GNBIFTFQCPIWIP-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171603911 1285672615 /nfs/dbraw/zinc/67/26/15/1285672615.db2.gz DSGRZOXXXKQBIN-GOEBONIOSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171603911 1285672626 /nfs/dbraw/zinc/67/26/26/1285672626.db2.gz DSGRZOXXXKQBIN-GOEBONIOSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171604175 1285672649 /nfs/dbraw/zinc/67/26/49/1285672649.db2.gz HHRFLIAAONOBPJ-SJORKVTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604192 1285673664 /nfs/dbraw/zinc/67/36/64/1285673664.db2.gz HRYDPWYHKATADG-HOCLYGCPSA-N 2 2 332.492 2.664 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604192 1285673672 /nfs/dbraw/zinc/67/36/72/1285673672.db2.gz HRYDPWYHKATADG-HOCLYGCPSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171604174 1285673781 /nfs/dbraw/zinc/67/37/81/1285673781.db2.gz HHRFLIAAONOBPJ-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000813325538 1285793919 /nfs/dbraw/zinc/79/39/19/1285793919.db2.gz GOZWLXVJZNHAHM-INIZCTEOSA-N 2 2 325.460 2.958 20 30 EFEDLP CC1(C)C[C@H]([NH+]2CCN(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171983933 1285964811 /nfs/dbraw/zinc/96/48/11/1285964811.db2.gz HJCHHJXASQGZNC-HXUWFJFHSA-N 2 2 340.515 2.961 20 30 EFEDLP CC1(C)C[C@H]([NH+]2CCN(CCC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171983933 1285964814 /nfs/dbraw/zinc/96/48/14/1285964814.db2.gz HJCHHJXASQGZNC-HXUWFJFHSA-N 2 2 340.515 2.961 20 30 EFEDLP C[C@@H](CCCC#N)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001172497643 1286172266 /nfs/dbraw/zinc/17/22/66/1286172266.db2.gz DSVPFZIYDMYWNE-KRWDZBQOSA-N 2 2 329.492 2.933 20 30 EFEDLP C[C@@H](CCCC#N)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001172497643 1286172271 /nfs/dbraw/zinc/17/22/71/1286172271.db2.gz DSVPFZIYDMYWNE-KRWDZBQOSA-N 2 2 329.492 2.933 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(C)(C#N)CC4)C[C@@H]3C2)cn1 ZINC001173595792 1286709966 /nfs/dbraw/zinc/70/99/66/1286709966.db2.gz XISUOLDDSVVTKB-ZMTPEHOPSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(C)(C#N)CC4)C[C@@H]3C2)cn1 ZINC001173595792 1286709972 /nfs/dbraw/zinc/70/99/72/1286709972.db2.gz XISUOLDDSVVTKB-ZMTPEHOPSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(C)(C#N)CC4)C[C@@H]3C2)cn1 ZINC001173595792 1286709975 /nfs/dbraw/zinc/70/99/75/1286709975.db2.gz XISUOLDDSVVTKB-ZMTPEHOPSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(C)(C#N)CC4)C[C@@H]3C2)cn1 ZINC001173595792 1286709978 /nfs/dbraw/zinc/70/99/78/1286709978.db2.gz XISUOLDDSVVTKB-ZMTPEHOPSA-N 2 2 341.503 2.646 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176775238 1288105833 /nfs/dbraw/zinc/10/58/33/1288105833.db2.gz LXQKOIYVEYBCRM-MJGOQNOKSA-N 2 2 346.519 2.915 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176775239 1288106194 /nfs/dbraw/zinc/10/61/94/1288106194.db2.gz LXQKOIYVEYBCRM-PKOBYXMFSA-N 2 2 346.519 2.915 20 30 EFEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135680409 1288252471 /nfs/dbraw/zinc/25/24/71/1288252471.db2.gz VMTYCIOYFBHOCK-JKSUJKDBSA-N 2 2 328.460 2.634 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179560982 1289176405 /nfs/dbraw/zinc/17/64/05/1289176405.db2.gz FTLORBSHOUVVKL-CQSZACIVSA-N 2 2 338.883 2.848 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179560981 1289176718 /nfs/dbraw/zinc/17/67/18/1289176718.db2.gz FTLORBSHOUVVKL-AWEZNQCLSA-N 2 2 338.883 2.848 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]ccc1OC ZINC001177349031 1288412718 /nfs/dbraw/zinc/41/27/18/1288412718.db2.gz VICDBZAYAXELIJ-UHFFFAOYSA-N 2 2 345.487 2.817 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001177352699 1288414720 /nfs/dbraw/zinc/41/47/20/1288414720.db2.gz HTACUBHOHKMVHM-SFHVURJKSA-N 2 2 344.503 2.630 20 30 EFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177466667 1288432091 /nfs/dbraw/zinc/43/20/91/1288432091.db2.gz ATADXEKEUDHXOV-UHFFFAOYSA-N 2 2 344.503 2.709 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]cn1C ZINC001177469274 1288433430 /nfs/dbraw/zinc/43/34/30/1288433430.db2.gz YVPXXIMPRJLDQP-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177437066 1288440592 /nfs/dbraw/zinc/44/05/92/1288440592.db2.gz LKUDJGXNDSUNDP-KRWDZBQOSA-N 2 2 344.503 2.610 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177437066 1288440599 /nfs/dbraw/zinc/44/05/99/1288440599.db2.gz LKUDJGXNDSUNDP-KRWDZBQOSA-N 2 2 344.503 2.610 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135917197 1288603828 /nfs/dbraw/zinc/60/38/28/1288603828.db2.gz ZGIVEVHZKVPYLK-CVEARBPZSA-N 2 2 341.459 2.720 20 30 EFEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135917199 1288604005 /nfs/dbraw/zinc/60/40/05/1288604005.db2.gz ZGIVEVHZKVPYLK-HZPDHXFCSA-N 2 2 341.459 2.720 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001178536239 1288808667 /nfs/dbraw/zinc/80/86/67/1288808667.db2.gz RWGUHLCILFPZIW-GOSISDBHSA-N 2 2 347.507 2.632 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001178536239 1288808676 /nfs/dbraw/zinc/80/86/76/1288808676.db2.gz RWGUHLCILFPZIW-GOSISDBHSA-N 2 2 347.507 2.632 20 30 EFEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001178770655 1288889321 /nfs/dbraw/zinc/88/93/21/1288889321.db2.gz MQEXNURSDNLRFH-SFHVURJKSA-N 2 2 332.492 2.760 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178865046 1288947957 /nfs/dbraw/zinc/94/79/57/1288947957.db2.gz NTBJEBUPUZXNIJ-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178870711 1288951419 /nfs/dbraw/zinc/95/14/19/1288951419.db2.gz FOHYLIFRDTXNEI-QGZVFWFLSA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880702 1288957058 /nfs/dbraw/zinc/95/70/58/1288957058.db2.gz OSEYIMMYNMYCRO-INIZCTEOSA-N 2 2 332.492 2.665 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880702 1288957062 /nfs/dbraw/zinc/95/70/62/1288957062.db2.gz OSEYIMMYNMYCRO-INIZCTEOSA-N 2 2 332.492 2.665 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180032791 1289390111 /nfs/dbraw/zinc/39/01/11/1289390111.db2.gz GNGOLLZNSCXJRC-WMZOPIPTSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH+]c(C)[nH]1)CC2 ZINC001232458953 1312708079 /nfs/dbraw/zinc/70/80/79/1312708079.db2.gz XIRVMDYDKPRTKE-UHFFFAOYSA-N 2 2 332.448 2.719 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873045169 1289538278 /nfs/dbraw/zinc/53/82/78/1289538278.db2.gz CICWIINNSZMMFJ-UHFFFAOYSA-N 2 2 340.471 2.680 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181786492 1289939616 /nfs/dbraw/zinc/93/96/16/1289939616.db2.gz CRNDTPXTKXNLMR-YKTARERQSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181786492 1289939624 /nfs/dbraw/zinc/93/96/24/1289939624.db2.gz CRNDTPXTKXNLMR-YKTARERQSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181884989 1289990255 /nfs/dbraw/zinc/99/02/55/1289990255.db2.gz OCCVEWIYPOXQOV-OXQOHEQNSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001182184411 1290101061 /nfs/dbraw/zinc/10/10/61/1290101061.db2.gz VMEDKMCFMIKNNE-OXQOHEQNSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183175506 1290304230 /nfs/dbraw/zinc/30/42/30/1290304230.db2.gz BAEPIUWDFVKZAB-DNVCBOLYSA-N 2 2 332.492 2.728 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271114 1290322007 /nfs/dbraw/zinc/32/20/07/1290322007.db2.gz DRAXLSKFKUVFFI-ZRGWGRIASA-N 2 2 332.492 2.690 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474643 1312780836 /nfs/dbraw/zinc/78/08/36/1312780836.db2.gz TWCJMVWVNUKRML-UHFFFAOYSA-N 2 2 332.492 2.896 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651744 1290488797 /nfs/dbraw/zinc/48/87/97/1290488797.db2.gz HYNYEVAFWWJHOG-RDJZCZTQSA-N 2 2 332.492 2.577 20 30 EFEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184850753 1290527436 /nfs/dbraw/zinc/52/74/36/1290527436.db2.gz FWBKJCMELRUVPO-QAPCUYQASA-N 2 2 327.472 2.718 20 30 EFEDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](C)CCC#N)CC2)cc1 ZINC000876899911 1291064831 /nfs/dbraw/zinc/06/48/31/1291064831.db2.gz AKSZMCBVGLOYGX-SFHVURJKSA-N 2 2 344.503 2.737 20 30 EFEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000957086019 1291080890 /nfs/dbraw/zinc/08/08/90/1291080890.db2.gz ZXLAIRSUMOGCGW-UHFFFAOYSA-N 2 2 338.455 2.985 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126206 1291508590 /nfs/dbraw/zinc/50/85/90/1291508590.db2.gz UQGHQNRXAUMOJQ-PZJWPPBQSA-N 2 2 339.483 2.845 20 30 EFEDLP CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126206 1291508594 /nfs/dbraw/zinc/50/85/94/1291508594.db2.gz UQGHQNRXAUMOJQ-PZJWPPBQSA-N 2 2 339.483 2.845 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000878192004 1291546117 /nfs/dbraw/zinc/54/61/17/1291546117.db2.gz XRPNQLDFPLXFRR-NRFANRHFSA-N 2 2 348.450 2.644 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957541923 1291734026 /nfs/dbraw/zinc/73/40/26/1291734026.db2.gz KKNUFQYQZKZMSM-UHFFFAOYSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]ccc3OC)CC2)CC1 ZINC000957566354 1291775555 /nfs/dbraw/zinc/77/55/55/1291775555.db2.gz MJVDIKZPSDPELG-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCc3[nH+]ccn3C)CC2)CC1 ZINC000957584709 1291803440 /nfs/dbraw/zinc/80/34/40/1291803440.db2.gz VAWSFESFIMMLOF-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615054 1291885106 /nfs/dbraw/zinc/88/51/06/1291885106.db2.gz VLBWKSIPULGRDH-SFHVURJKSA-N 2 2 342.487 2.562 20 30 EFEDLP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615053 1291886067 /nfs/dbraw/zinc/88/60/67/1291886067.db2.gz VLBWKSIPULGRDH-GOSISDBHSA-N 2 2 342.487 2.562 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC000957639783 1291943307 /nfs/dbraw/zinc/94/33/07/1291943307.db2.gz IQNCKDRXMLZWAU-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818946 1292327716 /nfs/dbraw/zinc/32/77/16/1292327716.db2.gz UOCGOGUVOOJIEK-ROUUACIJSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818946 1292327725 /nfs/dbraw/zinc/32/77/25/1292327725.db2.gz UOCGOGUVOOJIEK-ROUUACIJSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900126 1292345992 /nfs/dbraw/zinc/34/59/92/1292345992.db2.gz OCMZRYQYACEUPC-IRXDYDNUSA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900126 1292346001 /nfs/dbraw/zinc/34/60/01/1292346001.db2.gz OCMZRYQYACEUPC-IRXDYDNUSA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001114815503 1292392814 /nfs/dbraw/zinc/39/28/14/1292392814.db2.gz WDJJCYKJBANGSV-CBZIJGRNSA-N 2 2 342.487 2.622 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001114815503 1292392825 /nfs/dbraw/zinc/39/28/25/1292392825.db2.gz WDJJCYKJBANGSV-CBZIJGRNSA-N 2 2 342.487 2.622 20 30 EFEDLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383935 1312918358 /nfs/dbraw/zinc/91/83/58/1312918358.db2.gz AYVZCQQHMVBZHE-FQEVSTJZSA-N 2 2 343.471 2.587 20 30 EFEDLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383935 1312918360 /nfs/dbraw/zinc/91/83/60/1312918360.db2.gz AYVZCQQHMVBZHE-FQEVSTJZSA-N 2 2 343.471 2.587 20 30 EFEDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383935 1312918364 /nfs/dbraw/zinc/91/83/64/1312918364.db2.gz AYVZCQQHMVBZHE-FQEVSTJZSA-N 2 2 343.471 2.587 20 30 EFEDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001233383935 1312918367 /nfs/dbraw/zinc/91/83/67/1312918367.db2.gz AYVZCQQHMVBZHE-FQEVSTJZSA-N 2 2 343.471 2.587 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001114817045 1292398285 /nfs/dbraw/zinc/39/82/85/1292398285.db2.gz NOKMDRXWBWONOX-CBZIJGRNSA-N 2 2 344.503 2.846 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001114817045 1292398294 /nfs/dbraw/zinc/39/82/94/1292398294.db2.gz NOKMDRXWBWONOX-CBZIJGRNSA-N 2 2 344.503 2.846 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008739 1292421908 /nfs/dbraw/zinc/42/19/08/1292421908.db2.gz AIGABYPZMBKNSD-HKUYNNGSSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191008739 1292421913 /nfs/dbraw/zinc/42/19/13/1292421913.db2.gz AIGABYPZMBKNSD-HKUYNNGSSA-N 2 2 344.503 2.725 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010396 1292423139 /nfs/dbraw/zinc/42/31/39/1292423139.db2.gz LRCLUDHOXGNXEY-PKOBYXMFSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010396 1292423143 /nfs/dbraw/zinc/42/31/43/1292423143.db2.gz LRCLUDHOXGNXEY-PKOBYXMFSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010827 1292423978 /nfs/dbraw/zinc/42/39/78/1292423978.db2.gz QSRYIZWKAWNOQJ-MSOLQXFVSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010827 1292423983 /nfs/dbraw/zinc/42/39/83/1292423983.db2.gz QSRYIZWKAWNOQJ-MSOLQXFVSA-N 2 2 346.519 2.949 20 30 EFEDLP CC(C)(C#N)CCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252775 1292426407 /nfs/dbraw/zinc/42/64/07/1292426407.db2.gz DEMCAVCJXQEGDM-UHFFFAOYSA-N 2 2 334.508 2.512 20 30 EFEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687803 1312926209 /nfs/dbraw/zinc/92/62/09/1312926209.db2.gz MAPFVDAHOZLCCG-INIZCTEOSA-N 2 2 344.846 2.900 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203445108 1312926476 /nfs/dbraw/zinc/92/64/76/1312926476.db2.gz YYDOMHKIRZIGRW-SJORKVTESA-N 2 2 330.476 2.716 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001016726986 1312946579 /nfs/dbraw/zinc/94/65/79/1312946579.db2.gz PNQPPZUZHLSYTR-QGZVFWFLSA-N 2 2 338.455 2.885 20 30 EFEDLP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016744547 1312955098 /nfs/dbraw/zinc/95/50/98/1312955098.db2.gz ZRFADDWACPZCMJ-QGZVFWFLSA-N 2 2 325.456 2.614 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425573 1292888818 /nfs/dbraw/zinc/88/88/18/1292888818.db2.gz ILGQYWAEENSAEK-KZNAEPCWSA-N 2 2 344.503 2.803 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425573 1292888828 /nfs/dbraw/zinc/88/88/28/1292888828.db2.gz ILGQYWAEENSAEK-KZNAEPCWSA-N 2 2 344.503 2.803 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192904589 1293094443 /nfs/dbraw/zinc/09/44/43/1293094443.db2.gz BCMNCJGTJDHYSH-INIZCTEOSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192904589 1293094451 /nfs/dbraw/zinc/09/44/51/1293094451.db2.gz BCMNCJGTJDHYSH-INIZCTEOSA-N 2 2 329.916 2.784 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192904589 1293094466 /nfs/dbraw/zinc/09/44/66/1293094466.db2.gz BCMNCJGTJDHYSH-INIZCTEOSA-N 2 2 329.916 2.784 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664404 1312984059 /nfs/dbraw/zinc/98/40/59/1312984059.db2.gz DBBUPEUSRQYPQJ-UHFFFAOYSA-N 2 2 349.906 2.837 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544181 1312990293 /nfs/dbraw/zinc/99/02/93/1312990293.db2.gz BOPSGRCJKRGJHV-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544181 1312990297 /nfs/dbraw/zinc/99/02/97/1312990297.db2.gz BOPSGRCJKRGJHV-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc(C#N)c2)CC3)cn1 ZINC001203761875 1313008778 /nfs/dbraw/zinc/00/87/78/1313008778.db2.gz FVJUPHGSQXWKPP-UHFFFAOYSA-N 2 2 349.482 2.922 20 30 EFEDLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc(C#N)c2)CC3)cn1 ZINC001203761875 1313008782 /nfs/dbraw/zinc/00/87/82/1313008782.db2.gz FVJUPHGSQXWKPP-UHFFFAOYSA-N 2 2 349.482 2.922 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449123 1293627895 /nfs/dbraw/zinc/62/78/95/1293627895.db2.gz PLNPPMHLMZFSTC-SFHVURJKSA-N 2 2 332.492 2.942 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449123 1293627901 /nfs/dbraw/zinc/62/79/01/1293627901.db2.gz PLNPPMHLMZFSTC-SFHVURJKSA-N 2 2 332.492 2.942 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814184 1313022203 /nfs/dbraw/zinc/02/22/03/1313022203.db2.gz HQERATNTXVCZPT-IAGOWNOFSA-N 2 2 330.476 2.647 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815839 1313023146 /nfs/dbraw/zinc/02/31/46/1313023146.db2.gz RHOSBAVVMXBJAT-IAGOWNOFSA-N 2 2 330.476 2.647 20 30 EFEDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(C#N)cc2)CC3)cn1 ZINC001203901525 1313043315 /nfs/dbraw/zinc/04/33/15/1313043315.db2.gz OVVIDEXVAJQDKQ-UHFFFAOYSA-N 2 2 349.482 2.922 20 30 EFEDLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(C#N)cc2)CC3)cn1 ZINC001203901525 1313043320 /nfs/dbraw/zinc/04/33/20/1313043320.db2.gz OVVIDEXVAJQDKQ-UHFFFAOYSA-N 2 2 349.482 2.922 20 30 EFEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242762 1294182583 /nfs/dbraw/zinc/18/25/83/1294182583.db2.gz MWDTUSXABYQHNF-SFHVURJKSA-N 2 2 332.492 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242762 1294182587 /nfs/dbraw/zinc/18/25/87/1294182587.db2.gz MWDTUSXABYQHNF-SFHVURJKSA-N 2 2 332.492 2.971 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126103 1294463825 /nfs/dbraw/zinc/46/38/25/1294463825.db2.gz SZIZTCNMWJRCRM-HOTGVXAUSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197126103 1294463828 /nfs/dbraw/zinc/46/38/28/1294463828.db2.gz SZIZTCNMWJRCRM-HOTGVXAUSA-N 2 2 330.476 2.719 20 30 EFEDLP CCc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000303768634 1294577835 /nfs/dbraw/zinc/57/78/35/1294577835.db2.gz ALWHPUREZRHISA-GJZGRUSLSA-N 2 2 332.492 2.863 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114858869 1294581209 /nfs/dbraw/zinc/58/12/09/1294581209.db2.gz JNPOQZHYPPMDDF-RXYDEIHYSA-N 2 2 344.503 2.540 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114858869 1294581218 /nfs/dbraw/zinc/58/12/18/1294581218.db2.gz JNPOQZHYPPMDDF-RXYDEIHYSA-N 2 2 344.503 2.540 20 30 EFEDLP COCC[N@H+](C)CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303976231 1294613538 /nfs/dbraw/zinc/61/35/38/1294613538.db2.gz JYWFXDNYJDLXDD-NSHDSACASA-N 2 2 347.290 2.537 20 30 EFEDLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303976231 1294613554 /nfs/dbraw/zinc/61/35/54/1294613554.db2.gz JYWFXDNYJDLXDD-NSHDSACASA-N 2 2 347.290 2.537 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625408 1313103495 /nfs/dbraw/zinc/10/34/95/1313103495.db2.gz HAUBHVXPRDCISQ-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625408 1313103499 /nfs/dbraw/zinc/10/34/99/1313103499.db2.gz HAUBHVXPRDCISQ-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP CCCCN(CC#N)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198019161 1294834974 /nfs/dbraw/zinc/83/49/74/1294834974.db2.gz PUXWFNQLTDEXPI-UHFFFAOYSA-N 2 2 344.503 2.836 20 30 EFEDLP CCCCN(CC#N)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198019161 1294834990 /nfs/dbraw/zinc/83/49/90/1294834990.db2.gz PUXWFNQLTDEXPI-UHFFFAOYSA-N 2 2 344.503 2.836 20 30 EFEDLP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)C(C)(C)C)cc1C#N ZINC001277847753 1313107077 /nfs/dbraw/zinc/10/70/77/1313107077.db2.gz DBMYBEIISMAVKL-ALOPSCKCSA-N 2 2 342.487 2.597 20 30 EFEDLP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)C(C)(C)C)cc1C#N ZINC001277847753 1313107079 /nfs/dbraw/zinc/10/70/79/1313107079.db2.gz DBMYBEIISMAVKL-ALOPSCKCSA-N 2 2 342.487 2.597 20 30 EFEDLP CCc1ccc([C@H](CNC(NCc2ccco2)=[NH+]C)[NH+](C)C)cc1 ZINC000103337615 1295684179 /nfs/dbraw/zinc/68/41/79/1295684179.db2.gz FSBCLPDAMMKTIH-SFHVURJKSA-N 2 2 328.460 2.810 20 30 EFEDLP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC001204848747 1313202602 /nfs/dbraw/zinc/20/26/02/1313202602.db2.gz SLEIWDGPEXYYBH-KRWDZBQOSA-N 2 2 335.492 2.629 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716182 1313214362 /nfs/dbraw/zinc/21/43/62/1313214362.db2.gz BMVXNHPVGMXHQK-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716182 1313214365 /nfs/dbraw/zinc/21/43/65/1313214365.db2.gz BMVXNHPVGMXHQK-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716182 1313214368 /nfs/dbraw/zinc/21/43/68/1313214368.db2.gz BMVXNHPVGMXHQK-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716182 1313214372 /nfs/dbraw/zinc/21/43/72/1313214372.db2.gz BMVXNHPVGMXHQK-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C[NH+]1CCN(c2ccc(Nc3ccn4cc[nH+]c4c3)cc2C#N)CC1 ZINC001204978178 1313217162 /nfs/dbraw/zinc/21/71/62/1313217162.db2.gz ORXPIJHFYHVPJK-UHFFFAOYSA-N 2 2 332.411 2.701 20 30 EFEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235224334 1313268389 /nfs/dbraw/zinc/26/83/89/1313268389.db2.gz JJBBPWLDVRWTEC-HOCLYGCPSA-N 2 2 326.362 2.835 20 30 EFEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235224334 1313268393 /nfs/dbraw/zinc/26/83/93/1313268393.db2.gz JJBBPWLDVRWTEC-HOCLYGCPSA-N 2 2 326.362 2.835 20 30 EFEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960278297 1296694047 /nfs/dbraw/zinc/69/40/47/1296694047.db2.gz LAAVJUJNOLTSGV-IEBWSBKVSA-N 2 2 332.407 2.734 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201335154 1296746494 /nfs/dbraw/zinc/74/64/94/1296746494.db2.gz IKXLKMAXYJEQJE-KRWDZBQOSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201337303 1296749130 /nfs/dbraw/zinc/74/91/30/1296749130.db2.gz PCMXQQPMFSRSHR-KRWDZBQOSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001201335822 1296749162 /nfs/dbraw/zinc/74/91/62/1296749162.db2.gz KXNXCAANRVKQCD-ZBFHGGJFSA-N 2 2 344.503 2.758 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001201335822 1296749174 /nfs/dbraw/zinc/74/91/74/1296749174.db2.gz KXNXCAANRVKQCD-ZBFHGGJFSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500489 1313300821 /nfs/dbraw/zinc/30/08/21/1313300821.db2.gz YFLWONFWXMCZPI-SFHVURJKSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555955 1313311542 /nfs/dbraw/zinc/31/15/42/1313311542.db2.gz HTYMCSHKRSCPQL-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP CC(=O)Nc1ccc(C[N@@H+]2CCC3(C[NH+](CCCCC#N)C3)C2)cc1 ZINC001277948836 1313335636 /nfs/dbraw/zinc/33/56/36/1313335636.db2.gz NRYHYLHQRMEEHK-UHFFFAOYSA-N 2 2 340.471 2.847 20 30 EFEDLP CC(=O)Nc1ccc(C[N@H+]2CCC3(C[NH+](CCCCC#N)C3)C2)cc1 ZINC001277948836 1313335639 /nfs/dbraw/zinc/33/56/39/1313335639.db2.gz NRYHYLHQRMEEHK-UHFFFAOYSA-N 2 2 340.471 2.847 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001235516283 1313342875 /nfs/dbraw/zinc/34/28/75/1313342875.db2.gz UHDYJLWMZLFIQE-SFTDATJTSA-N 2 2 332.451 2.711 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631512 1313362930 /nfs/dbraw/zinc/36/29/30/1313362930.db2.gz ADFNCUCQJYTCLY-QZTJIDSGSA-N 2 2 332.492 2.969 20 30 EFEDLP N#Cc1ccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)cc1 ZINC001235694122 1313378179 /nfs/dbraw/zinc/37/81/79/1313378179.db2.gz MDOWYFDYELJBNF-UHFFFAOYSA-N 2 2 326.488 2.993 20 30 EFEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017593765 1313430849 /nfs/dbraw/zinc/43/08/49/1313430849.db2.gz FGTDFKKQYYHXKH-IYBDPMFKSA-N 2 2 333.501 2.675 20 30 EFEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017593765 1313430854 /nfs/dbraw/zinc/43/08/54/1313430854.db2.gz FGTDFKKQYYHXKH-IYBDPMFKSA-N 2 2 333.501 2.675 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594094 1313430893 /nfs/dbraw/zinc/43/08/93/1313430893.db2.gz NCIQHGCZZJHUKY-IYBDPMFKSA-N 2 2 333.501 2.675 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594094 1313430898 /nfs/dbraw/zinc/43/08/98/1313430898.db2.gz NCIQHGCZZJHUKY-IYBDPMFKSA-N 2 2 333.501 2.675 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260413 1298440940 /nfs/dbraw/zinc/44/09/40/1298440940.db2.gz ILJVBNWHVUROMP-IRXDYDNUSA-N 2 2 344.503 2.824 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961260413 1298440944 /nfs/dbraw/zinc/44/09/44/1298440944.db2.gz ILJVBNWHVUROMP-IRXDYDNUSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961368573 1298628832 /nfs/dbraw/zinc/62/88/32/1298628832.db2.gz TZMIGCSTJMYOKJ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961368573 1298628838 /nfs/dbraw/zinc/62/88/38/1298628838.db2.gz TZMIGCSTJMYOKJ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961368573 1298628843 /nfs/dbraw/zinc/62/88/43/1298628843.db2.gz TZMIGCSTJMYOKJ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961368573 1298628849 /nfs/dbraw/zinc/62/88/49/1298628849.db2.gz TZMIGCSTJMYOKJ-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425688 1298732709 /nfs/dbraw/zinc/73/27/09/1298732709.db2.gz ZLOMSTMBMBDNGB-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000961425688 1298732720 /nfs/dbraw/zinc/73/27/20/1298732720.db2.gz ZLOMSTMBMBDNGB-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961425688 1298732727 /nfs/dbraw/zinc/73/27/27/1298732727.db2.gz ZLOMSTMBMBDNGB-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961425688 1298732735 /nfs/dbraw/zinc/73/27/35/1298732735.db2.gz ZLOMSTMBMBDNGB-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001413046059 1298750621 /nfs/dbraw/zinc/75/06/21/1298750621.db2.gz LMUWSLODVDDATA-RTBURBONSA-N 2 2 348.535 2.581 20 30 EFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001413046059 1298750624 /nfs/dbraw/zinc/75/06/24/1298750624.db2.gz LMUWSLODVDDATA-RTBURBONSA-N 2 2 348.535 2.581 20 30 EFEDLP C=CCN(CC[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207204189 1313636576 /nfs/dbraw/zinc/63/65/76/1313636576.db2.gz FCSPWSCWOMVOME-IRXDYDNUSA-N 2 2 337.508 2.683 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2SCCS2)cc1 ZINC000853674300 1300224831 /nfs/dbraw/zinc/22/48/31/1300224831.db2.gz WBBUQSPDBKPLNW-UHFFFAOYSA-N 2 2 325.503 2.581 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCCC ZINC001110678954 1300460448 /nfs/dbraw/zinc/46/04/48/1300460448.db2.gz KKLZZYFESIWISW-ZRNYENFQSA-N 2 2 345.531 2.776 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCCC ZINC001110678954 1300460455 /nfs/dbraw/zinc/46/04/55/1300460455.db2.gz KKLZZYFESIWISW-ZRNYENFQSA-N 2 2 345.531 2.776 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCCC ZINC001110678954 1300460462 /nfs/dbraw/zinc/46/04/62/1300460462.db2.gz KKLZZYFESIWISW-ZRNYENFQSA-N 2 2 345.531 2.776 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCCC ZINC001110678954 1300460472 /nfs/dbraw/zinc/46/04/72/1300460472.db2.gz KKLZZYFESIWISW-ZRNYENFQSA-N 2 2 345.531 2.776 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321248 1300595094 /nfs/dbraw/zinc/59/50/94/1300595094.db2.gz CDQRVULOZTXTAL-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963321248 1300595103 /nfs/dbraw/zinc/59/51/03/1300595103.db2.gz CDQRVULOZTXTAL-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339494 1300638557 /nfs/dbraw/zinc/63/85/57/1300638557.db2.gz IDVZIFUDQGKVEM-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339494 1300638561 /nfs/dbraw/zinc/63/85/61/1300638561.db2.gz IDVZIFUDQGKVEM-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374939 1300723783 /nfs/dbraw/zinc/72/37/83/1300723783.db2.gz SRAQWQZSCOVPMD-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374939 1300723787 /nfs/dbraw/zinc/72/37/87/1300723787.db2.gz SRAQWQZSCOVPMD-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963387631 1300748640 /nfs/dbraw/zinc/74/86/40/1300748640.db2.gz WJAPNZRIVMVEDN-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963387631 1300748655 /nfs/dbraw/zinc/74/86/55/1300748655.db2.gz WJAPNZRIVMVEDN-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387963 1300749698 /nfs/dbraw/zinc/74/96/98/1300749698.db2.gz XILSAKVILXTDRN-IRXDYDNUSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387963 1300749705 /nfs/dbraw/zinc/74/97/05/1300749705.db2.gz XILSAKVILXTDRN-IRXDYDNUSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963402183 1300772988 /nfs/dbraw/zinc/77/29/88/1300772988.db2.gz HYRLPJFOPXQLQB-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963402183 1300772994 /nfs/dbraw/zinc/77/29/94/1300772994.db2.gz HYRLPJFOPXQLQB-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963409527 1300787385 /nfs/dbraw/zinc/78/73/85/1300787385.db2.gz XUPDDVVQNDXQJG-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963409527 1300787390 /nfs/dbraw/zinc/78/73/90/1300787390.db2.gz XUPDDVVQNDXQJG-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963409528 1300787717 /nfs/dbraw/zinc/78/77/17/1300787717.db2.gz XUPDDVVQNDXQJG-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963409528 1300787721 /nfs/dbraw/zinc/78/77/21/1300787721.db2.gz XUPDDVVQNDXQJG-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699249 1300789813 /nfs/dbraw/zinc/78/98/13/1300789813.db2.gz INYQYIPRPGUPDA-ZJPYXAASSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699249 1300789821 /nfs/dbraw/zinc/78/98/21/1300789821.db2.gz INYQYIPRPGUPDA-ZJPYXAASSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659504 1313743568 /nfs/dbraw/zinc/74/35/68/1313743568.db2.gz ADWBVERAMMEXOY-KURKYZTESA-N 2 2 332.492 2.873 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659504 1313743571 /nfs/dbraw/zinc/74/35/71/1313743571.db2.gz ADWBVERAMMEXOY-KURKYZTESA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208083069 1313843145 /nfs/dbraw/zinc/84/31/45/1313843145.db2.gz BCXUPTDKSBWJIZ-IAGOWNOFSA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208083070 1313843124 /nfs/dbraw/zinc/84/31/24/1313843124.db2.gz BCXUPTDKSBWJIZ-IRXDYDNUSA-N 2 2 344.503 2.697 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097157932 1313882298 /nfs/dbraw/zinc/88/22/98/1313882298.db2.gz UEDKBOOGDLCBAO-OAGGEKHMSA-N 2 2 333.501 2.721 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450933 1313931473 /nfs/dbraw/zinc/93/14/73/1313931473.db2.gz OBILEGIYLRLXDB-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450638 1313931716 /nfs/dbraw/zinc/93/17/16/1313931716.db2.gz IWMPGABUPPUYPM-QZTJIDSGSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239781 1303774109 /nfs/dbraw/zinc/77/41/09/1303774109.db2.gz XCDUINAEAIPEHG-WMZOPIPTSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239781 1303774112 /nfs/dbraw/zinc/77/41/12/1303774112.db2.gz XCDUINAEAIPEHG-WMZOPIPTSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001037865137 1303823078 /nfs/dbraw/zinc/82/30/78/1303823078.db2.gz FQNBOANKKDJSDC-IRXDYDNUSA-N 2 2 332.492 2.719 20 30 EFEDLP Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cnc1N1CC[NH2+]CC1 ZINC001239738674 1313959819 /nfs/dbraw/zinc/95/98/19/1313959819.db2.gz GDOBWKJNLHFKSF-ZVHZXABRSA-N 2 2 348.454 2.560 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001037881493 1304146323 /nfs/dbraw/zinc/14/63/23/1304146323.db2.gz CKRAFPINLUURHG-ZBFHGGJFSA-N 2 2 326.444 2.969 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208722181 1314002381 /nfs/dbraw/zinc/00/23/81/1314002381.db2.gz PXCGSEZVXWPCHL-BRSBDYLESA-N 2 2 346.519 2.931 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208722181 1314002382 /nfs/dbraw/zinc/00/23/82/1314002382.db2.gz PXCGSEZVXWPCHL-BRSBDYLESA-N 2 2 346.519 2.931 20 30 EFEDLP N#Cc1cccc(CCC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001208850072 1314029271 /nfs/dbraw/zinc/02/92/71/1314029271.db2.gz WAHMZCLCQBVQOW-SFTDATJTSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208859821 1314031599 /nfs/dbraw/zinc/03/15/99/1314031599.db2.gz USWMGQZNBHAWNA-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208859821 1314031602 /nfs/dbraw/zinc/03/16/02/1314031602.db2.gz USWMGQZNBHAWNA-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208859821 1314031604 /nfs/dbraw/zinc/03/16/04/1314031604.db2.gz USWMGQZNBHAWNA-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208859821 1314031608 /nfs/dbraw/zinc/03/16/08/1314031608.db2.gz USWMGQZNBHAWNA-OYRHEFFESA-N 2 2 346.478 2.950 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001114454165 1305192113 /nfs/dbraw/zinc/19/21/13/1305192113.db2.gz XPZVGBWFGJTBDB-YRWFTTLQSA-N 2 2 345.487 2.650 20 30 EFEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001114454165 1305192116 /nfs/dbraw/zinc/19/21/16/1305192116.db2.gz XPZVGBWFGJTBDB-YRWFTTLQSA-N 2 2 345.487 2.650 20 30 EFEDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208927689 1314048327 /nfs/dbraw/zinc/04/83/27/1314048327.db2.gz OMXBKZMGMOTPHB-HXUWFJFHSA-N 2 2 327.472 2.676 20 30 EFEDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208927689 1314048331 /nfs/dbraw/zinc/04/83/31/1314048331.db2.gz OMXBKZMGMOTPHB-HXUWFJFHSA-N 2 2 327.472 2.676 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496454 1306399097 /nfs/dbraw/zinc/39/90/97/1306399097.db2.gz BULVGKYTCZZYBG-WMLDXEAASA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496454 1306399099 /nfs/dbraw/zinc/39/90/99/1306399099.db2.gz BULVGKYTCZZYBG-WMLDXEAASA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674038 1306556995 /nfs/dbraw/zinc/55/69/95/1306556995.db2.gz OFUIOZPKADVMBD-KBXCAEBGSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674038 1306556999 /nfs/dbraw/zinc/55/69/99/1306556999.db2.gz OFUIOZPKADVMBD-KBXCAEBGSA-N 2 2 349.906 2.941 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001097593090 1314138773 /nfs/dbraw/zinc/13/87/73/1314138773.db2.gz FXJPOMUSVMIMCP-QRVBRYPASA-N 2 2 336.439 2.784 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001097593090 1314138774 /nfs/dbraw/zinc/13/87/74/1314138774.db2.gz FXJPOMUSVMIMCP-QRVBRYPASA-N 2 2 336.439 2.784 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001044605194 1306651888 /nfs/dbraw/zinc/65/18/88/1306651888.db2.gz NUJZAGGENLARHP-BBRMVZONSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968855945 1306726467 /nfs/dbraw/zinc/72/64/67/1306726467.db2.gz CFXLJGVRLSIDRP-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855945 1306726471 /nfs/dbraw/zinc/72/64/71/1306726471.db2.gz CFXLJGVRLSIDRP-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855945 1306726475 /nfs/dbraw/zinc/72/64/75/1306726475.db2.gz CFXLJGVRLSIDRP-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855945 1306726479 /nfs/dbraw/zinc/72/64/79/1306726479.db2.gz CFXLJGVRLSIDRP-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882311 1306754523 /nfs/dbraw/zinc/75/45/23/1306754523.db2.gz LJBGKCRBCPIQAJ-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882311 1306754533 /nfs/dbraw/zinc/75/45/33/1306754533.db2.gz LJBGKCRBCPIQAJ-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882311 1306754535 /nfs/dbraw/zinc/75/45/35/1306754535.db2.gz LJBGKCRBCPIQAJ-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968926251 1306806648 /nfs/dbraw/zinc/80/66/48/1306806648.db2.gz YEUANHYZNJQJNA-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968926251 1306806653 /nfs/dbraw/zinc/80/66/53/1306806653.db2.gz YEUANHYZNJQJNA-ROUUACIJSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001044873618 1306884206 /nfs/dbraw/zinc/88/42/06/1306884206.db2.gz YQUFTRRVBYDJLS-NVXWUHKLSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001044873618 1306884210 /nfs/dbraw/zinc/88/42/10/1306884210.db2.gz YQUFTRRVBYDJLS-NVXWUHKLSA-N 2 2 347.528 2.651 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022425 1306900021 /nfs/dbraw/zinc/90/00/21/1306900021.db2.gz DPARAILVURYWNT-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022425 1306900026 /nfs/dbraw/zinc/90/00/26/1306900026.db2.gz DPARAILVURYWNT-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969027379 1306906555 /nfs/dbraw/zinc/90/65/55/1306906555.db2.gz CSRYEDIPGRSDKI-KZNAEPCWSA-N 2 2 344.503 2.851 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969027379 1306906557 /nfs/dbraw/zinc/90/65/57/1306906557.db2.gz CSRYEDIPGRSDKI-KZNAEPCWSA-N 2 2 344.503 2.851 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045491955 1307378452 /nfs/dbraw/zinc/37/84/52/1307378452.db2.gz MLMXWRYQDWMSAP-UHFFFAOYSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209584866 1314194532 /nfs/dbraw/zinc/19/45/32/1314194532.db2.gz CBJJUFQJCZDXHF-BMFZPTHFSA-N 2 2 329.916 2.542 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209584866 1314194534 /nfs/dbraw/zinc/19/45/34/1314194534.db2.gz CBJJUFQJCZDXHF-BMFZPTHFSA-N 2 2 329.916 2.542 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097694774 1314199091 /nfs/dbraw/zinc/19/90/91/1314199091.db2.gz DBJCWLRVBXYNKO-VQHPVUNQSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694774 1314199094 /nfs/dbraw/zinc/19/90/94/1314199094.db2.gz DBJCWLRVBXYNKO-VQHPVUNQSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694774 1314199097 /nfs/dbraw/zinc/19/90/97/1314199097.db2.gz DBJCWLRVBXYNKO-VQHPVUNQSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694774 1314199099 /nfs/dbraw/zinc/19/90/99/1314199099.db2.gz DBJCWLRVBXYNKO-VQHPVUNQSA-N 2 2 339.911 2.582 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209699022 1314219118 /nfs/dbraw/zinc/21/91/18/1314219118.db2.gz GRGFFJAVCYLRJO-KZNAEPCWSA-N 2 2 344.503 2.851 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944645 1307961801 /nfs/dbraw/zinc/96/18/01/1307961801.db2.gz NIKMWZDCJOGJSA-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944645 1307961804 /nfs/dbraw/zinc/96/18/04/1307961804.db2.gz NIKMWZDCJOGJSA-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944645 1307961815 /nfs/dbraw/zinc/96/18/15/1307961815.db2.gz NIKMWZDCJOGJSA-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944645 1307961820 /nfs/dbraw/zinc/96/18/20/1307961820.db2.gz NIKMWZDCJOGJSA-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945012 1307963048 /nfs/dbraw/zinc/96/30/48/1307963048.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945012 1307963051 /nfs/dbraw/zinc/96/30/51/1307963051.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945012 1307963054 /nfs/dbraw/zinc/96/30/54/1307963054.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945012 1307963058 /nfs/dbraw/zinc/96/30/58/1307963058.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958362 1307998686 /nfs/dbraw/zinc/99/86/86/1307998686.db2.gz QUXROTPIAGHXAM-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958362 1307998690 /nfs/dbraw/zinc/99/86/90/1307998690.db2.gz QUXROTPIAGHXAM-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958576 1308000437 /nfs/dbraw/zinc/00/04/37/1308000437.db2.gz UPPGPSWFKGDJMI-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958576 1308000438 /nfs/dbraw/zinc/00/04/38/1308000438.db2.gz UPPGPSWFKGDJMI-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973038 1308041794 /nfs/dbraw/zinc/04/17/94/1308041794.db2.gz KVZBGHBNBAOXSL-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973038 1308041797 /nfs/dbraw/zinc/04/17/97/1308041797.db2.gz KVZBGHBNBAOXSL-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973038 1308041803 /nfs/dbraw/zinc/04/18/03/1308041803.db2.gz KVZBGHBNBAOXSL-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973038 1308041809 /nfs/dbraw/zinc/04/18/09/1308041809.db2.gz KVZBGHBNBAOXSL-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972896 1308042047 /nfs/dbraw/zinc/04/20/47/1308042047.db2.gz JYBUDFONELMWDA-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972896 1308042048 /nfs/dbraw/zinc/04/20/48/1308042048.db2.gz JYBUDFONELMWDA-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972896 1308042051 /nfs/dbraw/zinc/04/20/51/1308042051.db2.gz JYBUDFONELMWDA-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972896 1308042053 /nfs/dbraw/zinc/04/20/53/1308042053.db2.gz JYBUDFONELMWDA-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987471 1308091230 /nfs/dbraw/zinc/09/12/30/1308091230.db2.gz SMBLXJGJYHTVPR-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987471 1308091233 /nfs/dbraw/zinc/09/12/33/1308091233.db2.gz SMBLXJGJYHTVPR-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700015 1314309829 /nfs/dbraw/zinc/30/98/29/1314309829.db2.gz HLZPCILQHXIZCT-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700015 1314309832 /nfs/dbraw/zinc/30/98/32/1314309832.db2.gz HLZPCILQHXIZCT-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853381 1309527728 /nfs/dbraw/zinc/52/77/28/1309527728.db2.gz XRPHVXQEUGHDET-GOSISDBHSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853381 1309527737 /nfs/dbraw/zinc/52/77/37/1309527737.db2.gz XRPHVXQEUGHDET-GOSISDBHSA-N 2 2 335.879 2.695 20 30 EFEDLP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001047244691 1310401455 /nfs/dbraw/zinc/40/14/55/1310401455.db2.gz URUHPGBNSAVCKC-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001047244691 1310401464 /nfs/dbraw/zinc/40/14/64/1310401464.db2.gz URUHPGBNSAVCKC-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001047244689 1310401843 /nfs/dbraw/zinc/40/18/43/1310401843.db2.gz URUHPGBNSAVCKC-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001047244689 1310401845 /nfs/dbraw/zinc/40/18/45/1310401845.db2.gz URUHPGBNSAVCKC-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001047264214 1310453668 /nfs/dbraw/zinc/45/36/68/1310453668.db2.gz MGTGXCXXPFKHDJ-KRWDZBQOSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221704981 1311015677 /nfs/dbraw/zinc/01/56/77/1311015677.db2.gz MREQANPPSQKVTF-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221704981 1311015681 /nfs/dbraw/zinc/01/56/81/1311015681.db2.gz MREQANPPSQKVTF-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722934 1311019518 /nfs/dbraw/zinc/01/95/18/1311019518.db2.gz LBQSXSUSJLUUIV-QZTJIDSGSA-N 2 2 332.492 2.776 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722934 1311019521 /nfs/dbraw/zinc/01/95/21/1311019521.db2.gz LBQSXSUSJLUUIV-QZTJIDSGSA-N 2 2 332.492 2.776 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093609 1311083601 /nfs/dbraw/zinc/08/36/01/1311083601.db2.gz HGZWPFSVFSNXKY-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093609 1311083602 /nfs/dbraw/zinc/08/36/02/1311083602.db2.gz HGZWPFSVFSNXKY-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001276838468 1311184478 /nfs/dbraw/zinc/18/44/78/1311184478.db2.gz YBGPHVZMMQTIDT-UHFFFAOYSA-N 2 2 341.484 2.749 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222940939 1311201500 /nfs/dbraw/zinc/20/15/00/1311201500.db2.gz AGXVCYYCIQMJDT-SQNIBIBYSA-N 2 2 330.476 2.579 20 30 EFEDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1C ZINC001276856594 1311209531 /nfs/dbraw/zinc/20/95/31/1311209531.db2.gz DRJADGRYIDGGND-IHWFROFDSA-N 2 2 343.471 2.572 20 30 EFEDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1C ZINC001276856594 1311209533 /nfs/dbraw/zinc/20/95/33/1311209533.db2.gz DRJADGRYIDGGND-IHWFROFDSA-N 2 2 343.471 2.572 20 30 EFEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581278 1311251250 /nfs/dbraw/zinc/25/12/50/1311251250.db2.gz RYZTZXIKZRGFLH-OAHLLOKOSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581278 1311251254 /nfs/dbraw/zinc/25/12/54/1311251254.db2.gz RYZTZXIKZRGFLH-OAHLLOKOSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001101971434 1311270525 /nfs/dbraw/zinc/27/05/25/1311270525.db2.gz KYSNKDPDHABBNL-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001101971434 1311270529 /nfs/dbraw/zinc/27/05/29/1311270529.db2.gz KYSNKDPDHABBNL-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)CC[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223577944 1311277819 /nfs/dbraw/zinc/27/78/19/1311277819.db2.gz LZRHRJLAPSGDML-UHFFFAOYSA-N 2 2 332.492 2.721 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001223581015 1311278550 /nfs/dbraw/zinc/27/85/50/1311278550.db2.gz WUMVJSGSRVDUBX-KSZLIROESA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001223581015 1311278552 /nfs/dbraw/zinc/27/85/52/1311278552.db2.gz WUMVJSGSRVDUBX-KSZLIROESA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001223605320 1311280714 /nfs/dbraw/zinc/28/07/14/1311280714.db2.gz URKZBBIMDFNWNW-UHFFFAOYSA-N 2 2 326.444 2.971 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001223646044 1311286323 /nfs/dbraw/zinc/28/63/23/1311286323.db2.gz NREHEWHEPFVRPY-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001223799834 1311304953 /nfs/dbraw/zinc/30/49/53/1311304953.db2.gz JNQHGOOZCOIAPY-UHFFFAOYSA-N 2 2 326.444 2.742 20 30 EFEDLP C=CCCCCC[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223904609 1311319492 /nfs/dbraw/zinc/31/94/92/1311319492.db2.gz YOOWXFAARDQINR-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001224000321 1311331389 /nfs/dbraw/zinc/33/13/89/1311331389.db2.gz UIJRDIJRKMWRMR-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001224000321 1311331392 /nfs/dbraw/zinc/33/13/92/1311331392.db2.gz UIJRDIJRKMWRMR-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C#CCCC[NH2+]C12CC(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)(C1)C2 ZINC001276972719 1311391794 /nfs/dbraw/zinc/39/17/94/1311391794.db2.gz CRZANOGYFCKUHY-UHFFFAOYSA-N 2 2 334.423 2.737 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224600227 1311411882 /nfs/dbraw/zinc/41/18/82/1311411882.db2.gz PMJDMYOZEGVYLA-KBAYOESNSA-N 2 2 344.503 2.707 20 30 EFEDLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)c3F)(C1)CCC2 ZINC001277006524 1311449811 /nfs/dbraw/zinc/44/98/11/1311449811.db2.gz ARILCHZFTPJLIB-VQTJNVASSA-N 2 2 344.478 2.784 20 30 EFEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203193384 1311498348 /nfs/dbraw/zinc/49/83/48/1311498348.db2.gz VJSGBUUNFWVYNN-DLBZAZTESA-N 2 2 325.456 2.661 20 30 EFEDLP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001225551252 1311541567 /nfs/dbraw/zinc/54/15/67/1311541567.db2.gz JGOSPPNANMVEIR-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001225551252 1311541570 /nfs/dbraw/zinc/54/15/70/1311541570.db2.gz JGOSPPNANMVEIR-UHFFFAOYSA-N 2 2 347.528 2.511 20 30 EFEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125818 1311649016 /nfs/dbraw/zinc/64/90/16/1311649016.db2.gz OWJWCZQLTDJHTR-UHFFFAOYSA-N 2 2 338.455 2.971 20 30 EFEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125818 1311649020 /nfs/dbraw/zinc/64/90/20/1311649020.db2.gz OWJWCZQLTDJHTR-UHFFFAOYSA-N 2 2 338.455 2.971 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226348410 1311653339 /nfs/dbraw/zinc/65/33/39/1311653339.db2.gz PSEFDXUWLJCXMU-QZTJIDSGSA-N 2 2 344.503 2.745 20 30 EFEDLP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423341 1311706645 /nfs/dbraw/zinc/70/66/45/1311706645.db2.gz PJIKWDJIJRPDEV-IBGZPJMESA-N 2 2 342.487 2.632 20 30 EFEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423341 1311706647 /nfs/dbraw/zinc/70/66/47/1311706647.db2.gz PJIKWDJIJRPDEV-IBGZPJMESA-N 2 2 342.487 2.632 20 30 EFEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001160432184 1311709001 /nfs/dbraw/zinc/70/90/01/1311709001.db2.gz NULSMDIVNSPXCU-OAQYLSRUSA-N 2 2 349.478 2.554 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014780100 1311725068 /nfs/dbraw/zinc/72/50/68/1311725068.db2.gz PJFOPIHFHQOOAA-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014780100 1311725072 /nfs/dbraw/zinc/72/50/72/1311725072.db2.gz PJFOPIHFHQOOAA-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014780100 1311725075 /nfs/dbraw/zinc/72/50/75/1311725075.db2.gz PJFOPIHFHQOOAA-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014780100 1311725079 /nfs/dbraw/zinc/72/50/79/1311725079.db2.gz PJFOPIHFHQOOAA-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001227464127 1311809128 /nfs/dbraw/zinc/80/91/28/1311809128.db2.gz DBOXJCHWKHBIHZ-MRXNPFEDSA-N 2 2 344.503 2.697 20 30 EFEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001227775770 1311853810 /nfs/dbraw/zinc/85/38/10/1311853810.db2.gz DGAZIHXMJVVZTK-RTBURBONSA-N 2 2 336.439 2.526 20 30 EFEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001048525285 1311860792 /nfs/dbraw/zinc/86/07/92/1311860792.db2.gz SAULNNXVBIOSEK-VBUUOAMHSA-N 2 2 338.455 2.802 20 30 EFEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001048525285 1311860796 /nfs/dbraw/zinc/86/07/96/1311860796.db2.gz SAULNNXVBIOSEK-VBUUOAMHSA-N 2 2 338.455 2.802 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048545414 1311889228 /nfs/dbraw/zinc/88/92/28/1311889228.db2.gz ZPVYOKWTNDSEHJ-BJWYYQGGSA-N 2 2 338.455 2.883 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048545414 1311889231 /nfs/dbraw/zinc/88/92/31/1311889231.db2.gz ZPVYOKWTNDSEHJ-BJWYYQGGSA-N 2 2 338.455 2.883 20 30 EFEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001228033441 1311891098 /nfs/dbraw/zinc/89/10/98/1311891098.db2.gz XVEYALTTYVJORX-KRWDZBQOSA-N 2 2 346.519 2.997 20 30 EFEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048548543 1311892504 /nfs/dbraw/zinc/89/25/04/1311892504.db2.gz HIPLFEGNVHHLKO-BCDXTJNWSA-N 2 2 325.456 2.613 20 30 EFEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048548543 1311892507 /nfs/dbraw/zinc/89/25/07/1311892507.db2.gz HIPLFEGNVHHLKO-BCDXTJNWSA-N 2 2 325.456 2.613 20 30 EFEDLP N#Cc1ccc2cc[nH+]c(N3CCC([NH3+])(c4cccnc4)CC3)c2c1 ZINC001161583469 1311922565 /nfs/dbraw/zinc/92/25/65/1311922565.db2.gz LGDPMEMUTZUUQR-UHFFFAOYSA-N 2 2 329.407 2.956 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786554 1312107274 /nfs/dbraw/zinc/10/72/74/1312107274.db2.gz PJEQNBMSFURBOJ-RTBURBONSA-N 2 2 342.487 2.542 20 30 EFEDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902786554 1312107276 /nfs/dbraw/zinc/10/72/76/1312107276.db2.gz PJEQNBMSFURBOJ-RTBURBONSA-N 2 2 342.487 2.542 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001229985523 1312166333 /nfs/dbraw/zinc/16/63/33/1312166333.db2.gz QACYHZFCBBMHSV-LJQANCHMSA-N 2 2 349.906 2.797 20 30 EFEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CCCn1cc[nH+]c1 ZINC001163006569 1312224313 /nfs/dbraw/zinc/22/43/13/1312224313.db2.gz GEOFLCGIDBQKOJ-UHFFFAOYSA-N 2 2 340.471 2.510 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230367087 1312230338 /nfs/dbraw/zinc/23/03/38/1312230338.db2.gz QILSKBGXGRIGFJ-KRWDZBQOSA-N 2 2 335.879 2.622 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230381647 1312232747 /nfs/dbraw/zinc/23/27/47/1312232747.db2.gz CDIRTARVLSGRCE-LPHOPBHVSA-N 2 2 344.503 2.620 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628035 1312289287 /nfs/dbraw/zinc/28/92/87/1312289287.db2.gz GCMYTTXRZAWMQH-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628035 1312289291 /nfs/dbraw/zinc/28/92/91/1312289291.db2.gz GCMYTTXRZAWMQH-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628038 1312289597 /nfs/dbraw/zinc/28/95/97/1312289597.db2.gz GCMYTTXRZAWMQH-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230628038 1312289601 /nfs/dbraw/zinc/28/96/01/1312289601.db2.gz GCMYTTXRZAWMQH-LJQANCHMSA-N 2 2 344.503 2.942 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1 ZINC001231660970 1312543636 /nfs/dbraw/zinc/54/36/36/1312543636.db2.gz MGKREJMJYUUAMB-LJQANCHMSA-N 2 2 340.467 2.517 20 30 EFEDLP C#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1 ZINC001231660970 1312543637 /nfs/dbraw/zinc/54/36/37/1312543637.db2.gz MGKREJMJYUUAMB-LJQANCHMSA-N 2 2 340.467 2.517 20 30 EFEDLP Cc1[nH+]c2c(n1-c1nc(-c3ccc(F)cc3)ccc1C#N)CC[NH2+]CC2 ZINC001165351450 1312613848 /nfs/dbraw/zinc/61/38/48/1312613848.db2.gz FQOVPMQUCQMRDQ-UHFFFAOYSA-N 2 2 347.397 2.942 20 30 EFEDLP Cc1[nH+]c2c(n1-c1ncc(C)cc1C#C[Si](C)(C)C)CC[NH2+]CC2 ZINC001165355314 1312615109 /nfs/dbraw/zinc/61/51/09/1312615109.db2.gz SKOGIBYDRYWSHR-UHFFFAOYSA-N 2 2 338.531 2.801 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593912 1312650651 /nfs/dbraw/zinc/65/06/51/1312650651.db2.gz QIBGHCXMQKBRLC-BZUAXINKSA-N 2 2 330.476 2.744 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593912 1312650655 /nfs/dbraw/zinc/65/06/55/1312650655.db2.gz QIBGHCXMQKBRLC-BZUAXINKSA-N 2 2 330.476 2.744 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001245982042 1314559378 /nfs/dbraw/zinc/55/93/78/1314559378.db2.gz ILXUKIGLWKPPHR-IPQPSQTFSA-N 2 2 326.525 2.987 20 30 EFEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987470 1314559850 /nfs/dbraw/zinc/55/98/50/1314559850.db2.gz SCQGGDVIBCQQLM-ROUUACIJSA-N 3 2 325.541 2.562 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001245992930 1314561403 /nfs/dbraw/zinc/56/14/03/1314561403.db2.gz FPZOBQGLZOCJBW-CEXWTWQISA-N 2 2 328.541 2.828 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246036277 1314571027 /nfs/dbraw/zinc/57/10/27/1314571027.db2.gz SIXPMNAKDHZWOK-OALUTQOASA-N 2 2 328.541 2.924 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246036277 1314571030 /nfs/dbraw/zinc/57/10/30/1314571030.db2.gz SIXPMNAKDHZWOK-OALUTQOASA-N 2 2 328.541 2.924 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246066049 1314578389 /nfs/dbraw/zinc/57/83/89/1314578389.db2.gz QRZJCUVBYLQAHF-MOPGFXCFSA-N 2 2 326.525 2.942 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246066049 1314578391 /nfs/dbraw/zinc/57/83/91/1314578391.db2.gz QRZJCUVBYLQAHF-MOPGFXCFSA-N 2 2 326.525 2.942 20 30 EFEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246199860 1314596375 /nfs/dbraw/zinc/59/63/75/1314596375.db2.gz BORURBJZRQDNAN-QAPCUYQASA-N 2 2 345.487 2.918 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029343 1314602211 /nfs/dbraw/zinc/60/22/11/1314602211.db2.gz QHWJXQLDPZVLOB-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029343 1314602218 /nfs/dbraw/zinc/60/22/18/1314602218.db2.gz QHWJXQLDPZVLOB-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029343 1314602222 /nfs/dbraw/zinc/60/22/22/1314602222.db2.gz QHWJXQLDPZVLOB-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029343 1314602229 /nfs/dbraw/zinc/60/22/29/1314602229.db2.gz QHWJXQLDPZVLOB-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052528 1314641584 /nfs/dbraw/zinc/64/15/84/1314641584.db2.gz VORCXSTXTGOXOP-IAGOWNOFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052528 1314641588 /nfs/dbraw/zinc/64/15/88/1314641588.db2.gz VORCXSTXTGOXOP-IAGOWNOFSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090253 1314698633 /nfs/dbraw/zinc/69/86/33/1314698633.db2.gz GCUDIPCBSPTHIU-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090253 1314698638 /nfs/dbraw/zinc/69/86/38/1314698638.db2.gz GCUDIPCBSPTHIU-ZWKOTPCHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092590 1314702474 /nfs/dbraw/zinc/70/24/74/1314702474.db2.gz IALPTCJPIAQBMB-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092590 1314702476 /nfs/dbraw/zinc/70/24/76/1314702476.db2.gz IALPTCJPIAQBMB-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099768 1314715253 /nfs/dbraw/zinc/71/52/53/1314715253.db2.gz YTTRKWNDLSKOBR-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099768 1314715257 /nfs/dbraw/zinc/71/52/57/1314715257.db2.gz YTTRKWNDLSKOBR-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107134 1314731186 /nfs/dbraw/zinc/73/11/86/1314731186.db2.gz ZSMZLGGPVBUBDG-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107134 1314731187 /nfs/dbraw/zinc/73/11/87/1314731187.db2.gz ZSMZLGGPVBUBDG-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214946023 1314761290 /nfs/dbraw/zinc/76/12/90/1314761290.db2.gz ICAJOQRMBDZWOW-BFYDXBDKSA-N 2 2 332.492 2.718 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215005818 1314767910 /nfs/dbraw/zinc/76/79/10/1314767910.db2.gz IVSZSQHRYYNQHA-ZIFCJYIRSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855646 1314886367 /nfs/dbraw/zinc/88/63/67/1314886367.db2.gz UZYRCNFLJZTPOH-JFIYKMOQSA-N 2 2 334.508 2.995 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855646 1314886372 /nfs/dbraw/zinc/88/63/72/1314886372.db2.gz UZYRCNFLJZTPOH-JFIYKMOQSA-N 2 2 334.508 2.995 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001215920835 1314891893 /nfs/dbraw/zinc/89/18/93/1314891893.db2.gz SUQPOVNNUAJDLM-SJLPKXTDSA-N 2 2 340.471 2.588 20 30 EFEDLP COCC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001249429290 1315072336 /nfs/dbraw/zinc/07/23/36/1315072336.db2.gz VAAYSIWNJWIMJZ-UHFFFAOYSA-N 2 2 326.444 2.582 20 30 EFEDLP COCC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001249429290 1315072339 /nfs/dbraw/zinc/07/23/39/1315072339.db2.gz VAAYSIWNJWIMJZ-UHFFFAOYSA-N 2 2 326.444 2.582 20 30 EFEDLP N#Cc1c2ccccc2sc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218649518 1315226098 /nfs/dbraw/zinc/22/60/98/1315226098.db2.gz FLTPJRIYNSRLAP-OAHLLOKOSA-N 2 2 336.420 2.984 20 30 EFEDLP N#Cc1cc(F)c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(Cl)c1 ZINC001218994395 1315270120 /nfs/dbraw/zinc/27/01/20/1315270120.db2.gz FIGSNFLJSMSWCA-AWEZNQCLSA-N 2 2 332.766 2.562 20 30 EFEDLP CCc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc(CC)c1C#N ZINC001219114859 1315281944 /nfs/dbraw/zinc/28/19/44/1315281944.db2.gz QRZUMVLWBWXDLX-IBGZPJMESA-N 2 2 336.439 2.894 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)c1 ZINC001252007242 1315404013 /nfs/dbraw/zinc/40/40/13/1315404013.db2.gz AOSVCRRFJDAIJT-OAQYLSRUSA-N 2 2 335.451 2.846 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054174217 1315410323 /nfs/dbraw/zinc/41/03/23/1315410323.db2.gz ZVTFNKKYECKQIO-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054174217 1315410327 /nfs/dbraw/zinc/41/03/27/1315410327.db2.gz ZVTFNKKYECKQIO-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252127960 1315417184 /nfs/dbraw/zinc/41/71/84/1315417184.db2.gz HOKSDLCNVWIZBD-IPMKNSEASA-N 2 2 326.525 2.750 20 30 EFEDLP CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252127960 1315417189 /nfs/dbraw/zinc/41/71/89/1315417189.db2.gz HOKSDLCNVWIZBD-IPMKNSEASA-N 2 2 326.525 2.750 20 30 EFEDLP CCCCCCCC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252127960 1315417194 /nfs/dbraw/zinc/41/71/94/1315417194.db2.gz HOKSDLCNVWIZBD-IPMKNSEASA-N 2 2 326.525 2.750 20 30 EFEDLP CCCCCCCC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252127960 1315417198 /nfs/dbraw/zinc/41/71/98/1315417198.db2.gz HOKSDLCNVWIZBD-IPMKNSEASA-N 2 2 326.525 2.750 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195630 1315438615 /nfs/dbraw/zinc/43/86/15/1315438615.db2.gz OKPUZFXBIUPPSO-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195630 1315438620 /nfs/dbraw/zinc/43/86/20/1315438620.db2.gz OKPUZFXBIUPPSO-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039132925 1315516044 /nfs/dbraw/zinc/51/60/44/1315516044.db2.gz DBDLTQGCOHWOOI-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039132925 1315516050 /nfs/dbraw/zinc/51/60/50/1315516050.db2.gz DBDLTQGCOHWOOI-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039132925 1315516055 /nfs/dbraw/zinc/51/60/55/1315516055.db2.gz DBDLTQGCOHWOOI-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039132925 1315516059 /nfs/dbraw/zinc/51/60/59/1315516059.db2.gz DBDLTQGCOHWOOI-KZNAEPCWSA-N 2 2 342.487 2.650 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039141612 1315531576 /nfs/dbraw/zinc/53/15/76/1315531576.db2.gz GCCFSAUPIAPIIE-KRWDZBQOSA-N 2 2 338.455 2.694 20 30 EFEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001039141612 1315531580 /nfs/dbraw/zinc/53/15/80/1315531580.db2.gz GCCFSAUPIAPIIE-KRWDZBQOSA-N 2 2 338.455 2.694 20 30 EFEDLP N#Cc1ccc2c(c1)CC[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252922404 1315533344 /nfs/dbraw/zinc/53/33/44/1315533344.db2.gz JKTLZLDOZIRYCD-JOCHJYFZSA-N 2 2 347.462 2.553 20 30 EFEDLP N#Cc1ccc2c(c1)CC[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252922404 1315533346 /nfs/dbraw/zinc/53/33/46/1315533346.db2.gz JKTLZLDOZIRYCD-JOCHJYFZSA-N 2 2 347.462 2.553 20 30 EFEDLP N#Cc1ccc2c(c1)CC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252922404 1315533349 /nfs/dbraw/zinc/53/33/49/1315533349.db2.gz JKTLZLDOZIRYCD-JOCHJYFZSA-N 2 2 347.462 2.553 20 30 EFEDLP N#Cc1ccc2c(c1)CC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252922404 1315533352 /nfs/dbraw/zinc/53/33/52/1315533352.db2.gz JKTLZLDOZIRYCD-JOCHJYFZSA-N 2 2 347.462 2.553 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511436 1315542258 /nfs/dbraw/zinc/54/22/58/1315542258.db2.gz ZYXUQYUKNHAWTF-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511436 1315542259 /nfs/dbraw/zinc/54/22/59/1315542259.db2.gz ZYXUQYUKNHAWTF-IAGOWNOFSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174518 1315579514 /nfs/dbraw/zinc/57/95/14/1315579514.db2.gz YATYKFVMSCFBFH-KRWDZBQOSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174518 1315579515 /nfs/dbraw/zinc/57/95/15/1315579515.db2.gz YATYKFVMSCFBFH-KRWDZBQOSA-N 2 2 344.503 2.824 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208321 1315621465 /nfs/dbraw/zinc/62/14/65/1315621465.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208321 1315621467 /nfs/dbraw/zinc/62/14/67/1315621467.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208321 1315621469 /nfs/dbraw/zinc/62/14/69/1315621469.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208321 1315621471 /nfs/dbraw/zinc/62/14/71/1315621471.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208610 1315622476 /nfs/dbraw/zinc/62/24/76/1315622476.db2.gz DXUGDKQTIIWHHL-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208610 1315622479 /nfs/dbraw/zinc/62/24/79/1315622479.db2.gz DXUGDKQTIIWHHL-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208610 1315622481 /nfs/dbraw/zinc/62/24/81/1315622481.db2.gz DXUGDKQTIIWHHL-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208610 1315622484 /nfs/dbraw/zinc/62/24/84/1315622484.db2.gz DXUGDKQTIIWHHL-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224956 1315645363 /nfs/dbraw/zinc/64/53/63/1315645363.db2.gz JMOJGJYZEPQNOR-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224956 1315645366 /nfs/dbraw/zinc/64/53/66/1315645366.db2.gz JMOJGJYZEPQNOR-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228816 1315651993 /nfs/dbraw/zinc/65/19/93/1315651993.db2.gz KPXMPIBRHUNKFS-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228816 1315651994 /nfs/dbraw/zinc/65/19/94/1315651994.db2.gz KPXMPIBRHUNKFS-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240384 1315667244 /nfs/dbraw/zinc/66/72/44/1315667244.db2.gz VGDOLBLAIHMXQN-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240384 1315667250 /nfs/dbraw/zinc/66/72/50/1315667250.db2.gz VGDOLBLAIHMXQN-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248783 1315679468 /nfs/dbraw/zinc/67/94/68/1315679468.db2.gz FAYLLKGDEPWYSB-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039248783 1315679472 /nfs/dbraw/zinc/67/94/72/1315679472.db2.gz FAYLLKGDEPWYSB-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250280 1315681649 /nfs/dbraw/zinc/68/16/49/1315681649.db2.gz NKEDYVPNRQGSIX-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250280 1315681652 /nfs/dbraw/zinc/68/16/52/1315681652.db2.gz NKEDYVPNRQGSIX-HKUYNNGSSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250283 1315681900 /nfs/dbraw/zinc/68/19/00/1315681900.db2.gz NKEDYVPNRQGSIX-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001039250283 1315681903 /nfs/dbraw/zinc/68/19/03/1315681903.db2.gz NKEDYVPNRQGSIX-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251150 1315682542 /nfs/dbraw/zinc/68/25/42/1315682542.db2.gz SZHTZLAQTLQDNN-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251150 1315682546 /nfs/dbraw/zinc/68/25/46/1315682546.db2.gz SZHTZLAQTLQDNN-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039280970 1315699888 /nfs/dbraw/zinc/69/98/88/1315699888.db2.gz SXNUGMXKKFDHPT-MQVJKMGUSA-N 2 2 336.867 2.597 20 30 EFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039280970 1315699890 /nfs/dbraw/zinc/69/98/90/1315699890.db2.gz SXNUGMXKKFDHPT-MQVJKMGUSA-N 2 2 336.867 2.597 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001039284350 1315701549 /nfs/dbraw/zinc/70/15/49/1315701549.db2.gz MALCSANAVWVJDL-CSNJMZFVSA-N 2 2 342.487 2.523 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001039284496 1315701580 /nfs/dbraw/zinc/70/15/80/1315701580.db2.gz SSZSFWVTULOESE-MGNMYUMUSA-N 2 2 342.487 2.511 20 30 EFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001039284496 1315701581 /nfs/dbraw/zinc/70/15/81/1315701581.db2.gz SSZSFWVTULOESE-MGNMYUMUSA-N 2 2 342.487 2.511 20 30 EFEDLP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001254659497 1315735659 /nfs/dbraw/zinc/73/56/59/1315735659.db2.gz QETJQKURDDGHTB-WMZOPIPTSA-N 2 2 329.444 2.639 20 30 EFEDLP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001254659497 1315735660 /nfs/dbraw/zinc/73/56/60/1315735660.db2.gz QETJQKURDDGHTB-WMZOPIPTSA-N 2 2 329.444 2.639 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001050048994 1315741224 /nfs/dbraw/zinc/74/12/24/1315741224.db2.gz QRSHNPFQDUUJEH-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001050048994 1315741228 /nfs/dbraw/zinc/74/12/28/1315741228.db2.gz QRSHNPFQDUUJEH-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039373456 1315746406 /nfs/dbraw/zinc/74/64/06/1315746406.db2.gz VNMJDGAHUASJJM-IKGGRYGDSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373456 1315746409 /nfs/dbraw/zinc/74/64/09/1315746409.db2.gz VNMJDGAHUASJJM-IKGGRYGDSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373456 1315746412 /nfs/dbraw/zinc/74/64/12/1315746412.db2.gz VNMJDGAHUASJJM-IKGGRYGDSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373456 1315746414 /nfs/dbraw/zinc/74/64/14/1315746414.db2.gz VNMJDGAHUASJJM-IKGGRYGDSA-N 2 2 339.911 2.677 20 30 EFEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851449 1315749871 /nfs/dbraw/zinc/74/98/71/1315749871.db2.gz AWYKBTSIROZZAO-QUCCMNQESA-N 2 2 347.503 2.581 20 30 EFEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254851449 1315749874 /nfs/dbraw/zinc/74/98/74/1315749874.db2.gz AWYKBTSIROZZAO-QUCCMNQESA-N 2 2 347.503 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039388479 1315757662 /nfs/dbraw/zinc/75/76/62/1315757662.db2.gz UFUKQPIQEFTKBD-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388479 1315757664 /nfs/dbraw/zinc/75/76/64/1315757664.db2.gz UFUKQPIQEFTKBD-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388479 1315757667 /nfs/dbraw/zinc/75/76/67/1315757667.db2.gz UFUKQPIQEFTKBD-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388479 1315757670 /nfs/dbraw/zinc/75/76/70/1315757670.db2.gz UFUKQPIQEFTKBD-BBWFWOEESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039435252 1315789320 /nfs/dbraw/zinc/78/93/20/1315789320.db2.gz ZGTNKQWTWUTDBE-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039435252 1315789324 /nfs/dbraw/zinc/78/93/24/1315789324.db2.gz ZGTNKQWTWUTDBE-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039435252 1315789326 /nfs/dbraw/zinc/78/93/26/1315789326.db2.gz ZGTNKQWTWUTDBE-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039435252 1315789330 /nfs/dbraw/zinc/78/93/30/1315789330.db2.gz ZGTNKQWTWUTDBE-CVEARBPZSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445874 1315795832 /nfs/dbraw/zinc/79/58/32/1315795832.db2.gz KKPPYVGAOFSQOW-KURKYZTESA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445874 1315795835 /nfs/dbraw/zinc/79/58/35/1315795835.db2.gz KKPPYVGAOFSQOW-KURKYZTESA-N 2 2 330.476 2.866 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460567 1315806871 /nfs/dbraw/zinc/80/68/71/1315806871.db2.gz WIJNRMNDJLIYEF-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460567 1315806876 /nfs/dbraw/zinc/80/68/76/1315806876.db2.gz WIJNRMNDJLIYEF-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528572 1315952504 /nfs/dbraw/zinc/95/25/04/1315952504.db2.gz HNVZRTGYKZZSQH-IHPCNDPISA-N 2 2 341.499 2.806 20 30 EFEDLP C=CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528572 1315952508 /nfs/dbraw/zinc/95/25/08/1315952508.db2.gz HNVZRTGYKZZSQH-IHPCNDPISA-N 2 2 341.499 2.806 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052491221 1315955202 /nfs/dbraw/zinc/95/52/02/1315955202.db2.gz ZLVJEKOHUWTFCD-HNNXBMFYSA-N 2 2 338.883 2.650 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052491221 1315955205 /nfs/dbraw/zinc/95/52/05/1315955205.db2.gz ZLVJEKOHUWTFCD-HNNXBMFYSA-N 2 2 338.883 2.650 20 30 EFEDLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963856 1316014864 /nfs/dbraw/zinc/01/48/64/1316014864.db2.gz RBXZRDHRVPWEJP-HFPIOELMSA-N 2 2 327.472 2.948 20 30 EFEDLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963856 1316014865 /nfs/dbraw/zinc/01/48/65/1316014865.db2.gz RBXZRDHRVPWEJP-HFPIOELMSA-N 2 2 327.472 2.948 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257218022 1316048401 /nfs/dbraw/zinc/04/84/01/1316048401.db2.gz XMMVMGMYXYDGMN-AZUAARDMSA-N 2 2 336.520 2.933 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257218022 1316048403 /nfs/dbraw/zinc/04/84/03/1316048403.db2.gz XMMVMGMYXYDGMN-AZUAARDMSA-N 2 2 336.520 2.933 20 30 EFEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264741 1316173664 /nfs/dbraw/zinc/17/36/64/1316173664.db2.gz QWETZEFYGTVOBN-HXUWFJFHSA-N 2 2 336.439 2.514 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CC[NH+](CCC)CC1)CCO2 ZINC001258774710 1316177580 /nfs/dbraw/zinc/17/75/80/1316177580.db2.gz OPVUWXPAQGQDJE-AZUAARDMSA-N 2 2 336.520 2.935 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](CCC)CC1)CCO2 ZINC001258774710 1316177582 /nfs/dbraw/zinc/17/75/82/1316177582.db2.gz OPVUWXPAQGQDJE-AZUAARDMSA-N 2 2 336.520 2.935 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040291847 1316187368 /nfs/dbraw/zinc/18/73/68/1316187368.db2.gz HVAMFGAKDOLZEN-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040291847 1316187370 /nfs/dbraw/zinc/18/73/70/1316187370.db2.gz HVAMFGAKDOLZEN-FQEVSTJZSA-N 2 2 338.455 2.839 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001040845289 1316387336 /nfs/dbraw/zinc/38/73/36/1316387336.db2.gz HDVCBVJZPHCEHR-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC001040846388 1316387837 /nfs/dbraw/zinc/38/78/37/1316387837.db2.gz QRSYMPSLRMKHQR-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccccc3F)cc2F)CC1 ZINC001261277788 1316401102 /nfs/dbraw/zinc/40/11/02/1316401102.db2.gz LQZBEXRAMWFYHG-UHFFFAOYSA-N 2 2 344.409 2.840 20 30 EFEDLP C#CC[NH+]1CCC(OC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001263621181 1316552067 /nfs/dbraw/zinc/55/20/67/1316552067.db2.gz SHHRQQMIQOQDNP-LJQANCHMSA-N 2 2 328.456 2.710 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717456 1316662071 /nfs/dbraw/zinc/66/20/71/1316662071.db2.gz RCDOXQLDOUEMPI-WBVHZDCISA-N 2 2 336.867 2.511 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717456 1316662073 /nfs/dbraw/zinc/66/20/73/1316662073.db2.gz RCDOXQLDOUEMPI-WBVHZDCISA-N 2 2 336.867 2.511 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717455 1316662429 /nfs/dbraw/zinc/66/24/29/1316662429.db2.gz RCDOXQLDOUEMPI-RDJZCZTQSA-N 2 2 336.867 2.511 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717455 1316662432 /nfs/dbraw/zinc/66/24/32/1316662432.db2.gz RCDOXQLDOUEMPI-RDJZCZTQSA-N 2 2 336.867 2.511 20 30 EFEDLP N#CCc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279375903 1317250030 /nfs/dbraw/zinc/25/00/30/1317250030.db2.gz JYHGXHMPVCXDFG-NRFANRHFSA-N 2 2 349.482 2.964 20 30 EFEDLP N#CCc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279375903 1317250037 /nfs/dbraw/zinc/25/00/37/1317250037.db2.gz JYHGXHMPVCXDFG-NRFANRHFSA-N 2 2 349.482 2.964 20 30 EFEDLP N#CCc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279375903 1317250045 /nfs/dbraw/zinc/25/00/45/1317250045.db2.gz JYHGXHMPVCXDFG-NRFANRHFSA-N 2 2 349.482 2.964 20 30 EFEDLP N#CCc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279375903 1317250055 /nfs/dbraw/zinc/25/00/55/1317250055.db2.gz JYHGXHMPVCXDFG-NRFANRHFSA-N 2 2 349.482 2.964 20 30 EFEDLP CON=Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001339093105 1331788979 /nfs/dbraw/zinc/78/89/79/1331788979.db2.gz FMNCXBHLNAUERF-UHFFFAOYSA-N 2 2 335.367 2.808 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340263099 1332163521 /nfs/dbraw/zinc/16/35/21/1332163521.db2.gz AEQJDEWYZPQDGV-KRWDZBQOSA-N 2 2 346.523 2.588 20 30 EFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340263099 1332163523 /nfs/dbraw/zinc/16/35/23/1332163523.db2.gz AEQJDEWYZPQDGV-KRWDZBQOSA-N 2 2 346.523 2.588 20 30 EFEDLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC001371295157 1340479770 /nfs/dbraw/zinc/47/97/70/1340479770.db2.gz NDRZEWGVQWWSHM-HNNXBMFYSA-N 2 2 336.439 2.787 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001375587006 1342906122 /nfs/dbraw/zinc/90/61/22/1342906122.db2.gz TYGUHZPRJZUYJL-SJORKVTESA-N 2 2 339.911 2.680 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001375587006 1342906124 /nfs/dbraw/zinc/90/61/24/1342906124.db2.gz TYGUHZPRJZUYJL-SJORKVTESA-N 2 2 339.911 2.680 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001378105052 1344767283 /nfs/dbraw/zinc/76/72/83/1344767283.db2.gz ZQMUMMIRCKJBFX-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001378105052 1344767288 /nfs/dbraw/zinc/76/72/88/1344767288.db2.gz ZQMUMMIRCKJBFX-OAHLLOKOSA-N 2 2 329.916 2.688 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001378403753 1345047910 /nfs/dbraw/zinc/04/79/10/1345047910.db2.gz RPNOOIIVHLKCCX-GOSISDBHSA-N 2 2 346.862 2.883 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001393501179 1356903032 /nfs/dbraw/zinc/90/30/32/1356903032.db2.gz ZUAZMWXWAYONMY-CQSZACIVSA-N 2 2 346.862 2.911 20 30 EFEDLP C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001399996221 1361649491 /nfs/dbraw/zinc/64/94/91/1361649491.db2.gz ALFFJXZCVHAQQM-UHFFFAOYSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001399996221 1361649494 /nfs/dbraw/zinc/64/94/94/1361649494.db2.gz ALFFJXZCVHAQQM-UHFFFAOYSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001405388107 1366172200 /nfs/dbraw/zinc/17/22/00/1366172200.db2.gz TZUBXCPWSKVEDY-UHFFFAOYSA-N 2 2 332.835 2.948 20 30 EFEDLP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001414167332 1370062178 /nfs/dbraw/zinc/06/21/78/1370062178.db2.gz PLWPDLUIQSTQBT-HXUWFJFHSA-N 2 2 326.488 2.597 20 30 EFEDLP CC[N@H+]1CCC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001414167332 1370062183 /nfs/dbraw/zinc/06/21/83/1370062183.db2.gz PLWPDLUIQSTQBT-HXUWFJFHSA-N 2 2 326.488 2.597 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001418842693 1374565739 /nfs/dbraw/zinc/56/57/39/1374565739.db2.gz KTZFNWCAFVITOT-AWEZNQCLSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001421609641 1378878617 /nfs/dbraw/zinc/87/86/17/1378878617.db2.gz OPONEBMYAVQJSY-OAHLLOKOSA-N 2 2 346.862 2.993 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001423404841 1381913049 /nfs/dbraw/zinc/91/30/49/1381913049.db2.gz INVPMLBVKAXBMR-TZMCWYRMSA-N 2 2 332.835 2.804 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001423553418 1382056329 /nfs/dbraw/zinc/05/63/29/1382056329.db2.gz YCEPBXBFKUSCQY-OAHLLOKOSA-N 2 2 346.862 2.965 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC001438749137 1388784618 /nfs/dbraw/zinc/78/46/18/1388784618.db2.gz RMKPALWUMDYOJV-INIZCTEOSA-N 2 2 338.883 2.680 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001440705658 1389828955 /nfs/dbraw/zinc/82/89/55/1389828955.db2.gz JGLHQPDLVOCVFD-UHFFFAOYSA-N 2 2 338.883 2.574 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001440705658 1389828959 /nfs/dbraw/zinc/82/89/59/1389828959.db2.gz JGLHQPDLVOCVFD-UHFFFAOYSA-N 2 2 338.883 2.574 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001498487082 1402140687 /nfs/dbraw/zinc/14/06/87/1402140687.db2.gz GKTRITQKRNWYPH-LSDHHAIUSA-N 2 2 346.862 2.965 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001713265293 1418432634 /nfs/dbraw/zinc/43/26/34/1418432634.db2.gz ZXDURZGJPXJGQC-IRXDYDNUSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001717358641 1419352923 /nfs/dbraw/zinc/35/29/23/1419352923.db2.gz MRYJSJWERUSCIU-KRWDZBQOSA-N 2 2 331.460 2.570 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833962 713275768 /nfs/dbraw/zinc/27/57/68/713275768.db2.gz UAQAZOISTHSHSQ-RHSMWYFYSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833962 713275769 /nfs/dbraw/zinc/27/57/69/713275769.db2.gz UAQAZOISTHSHSQ-RHSMWYFYSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970718892 713931440 /nfs/dbraw/zinc/93/14/40/713931440.db2.gz NERQCJVYDAWNCK-RDJZCZTQSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970718892 713931442 /nfs/dbraw/zinc/93/14/42/713931442.db2.gz NERQCJVYDAWNCK-RDJZCZTQSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222299 714032034 /nfs/dbraw/zinc/03/20/34/714032034.db2.gz DTKNLUDSXGOWOC-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039222299 714032036 /nfs/dbraw/zinc/03/20/36/714032036.db2.gz DTKNLUDSXGOWOC-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587437 714135166 /nfs/dbraw/zinc/13/51/66/714135166.db2.gz KUSCDZWANQFFPR-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587437 714135169 /nfs/dbraw/zinc/13/51/69/714135169.db2.gz KUSCDZWANQFFPR-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612756 714176776 /nfs/dbraw/zinc/17/67/76/714176776.db2.gz FOIMXZRKLVLQHG-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612756 714176780 /nfs/dbraw/zinc/17/67/80/714176780.db2.gz FOIMXZRKLVLQHG-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615243 714180179 /nfs/dbraw/zinc/18/01/79/714180179.db2.gz VXMALTDFZWBRKV-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615243 714180183 /nfs/dbraw/zinc/18/01/83/714180183.db2.gz VXMALTDFZWBRKV-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646793 714234635 /nfs/dbraw/zinc/23/46/35/714234635.db2.gz SBYGIITUMXTPIC-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646793 714234637 /nfs/dbraw/zinc/23/46/37/714234637.db2.gz SBYGIITUMXTPIC-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723265 714369180 /nfs/dbraw/zinc/36/91/80/714369180.db2.gz STDJBAFNMZOZIG-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723265 714369184 /nfs/dbraw/zinc/36/91/84/714369184.db2.gz STDJBAFNMZOZIG-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723266 714369291 /nfs/dbraw/zinc/36/92/91/714369291.db2.gz STDJBAFNMZOZIG-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723266 714369294 /nfs/dbraw/zinc/36/92/94/714369294.db2.gz STDJBAFNMZOZIG-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723267 714369455 /nfs/dbraw/zinc/36/94/55/714369455.db2.gz STDJBAFNMZOZIG-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723267 714369457 /nfs/dbraw/zinc/36/94/57/714369457.db2.gz STDJBAFNMZOZIG-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561698 714708528 /nfs/dbraw/zinc/70/85/28/714708528.db2.gz AWBBULYZZXUFHC-GJZGRUSLSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561698 714708531 /nfs/dbraw/zinc/70/85/31/714708531.db2.gz AWBBULYZZXUFHC-GJZGRUSLSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561699 714708628 /nfs/dbraw/zinc/70/86/28/714708628.db2.gz AWBBULYZZXUFHC-HUUCEWRRSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561699 714708630 /nfs/dbraw/zinc/70/86/30/714708630.db2.gz AWBBULYZZXUFHC-HUUCEWRRSA-N 2 2 338.883 2.682 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485988 716028677 /nfs/dbraw/zinc/02/86/77/716028677.db2.gz PLJBOQNYIHOMBE-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485988 716028683 /nfs/dbraw/zinc/02/86/83/716028683.db2.gz PLJBOQNYIHOMBE-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485988 716028687 /nfs/dbraw/zinc/02/86/87/716028687.db2.gz PLJBOQNYIHOMBE-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485988 716028692 /nfs/dbraw/zinc/02/86/92/716028692.db2.gz PLJBOQNYIHOMBE-JKSUJKDBSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646170 716438159 /nfs/dbraw/zinc/43/81/59/716438159.db2.gz VXPQAZUBTOIALD-KRWDZBQOSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027547357 716449613 /nfs/dbraw/zinc/44/96/13/716449613.db2.gz XNDQTQBNXOKQGH-HNNXBMFYSA-N 2 2 339.867 2.630 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027547357 716449616 /nfs/dbraw/zinc/44/96/16/716449616.db2.gz XNDQTQBNXOKQGH-HNNXBMFYSA-N 2 2 339.867 2.630 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487969 716539718 /nfs/dbraw/zinc/53/97/18/716539718.db2.gz SFMWLKJKBDYFLQ-INIZCTEOSA-N 2 2 326.444 2.742 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487969 716539722 /nfs/dbraw/zinc/53/97/22/716539722.db2.gz SFMWLKJKBDYFLQ-INIZCTEOSA-N 2 2 326.444 2.742 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972703749 717129718 /nfs/dbraw/zinc/12/97/18/717129718.db2.gz KUWGNLMSYPKXGL-IEBWSBKVSA-N 2 2 349.906 2.749 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972703749 717129719 /nfs/dbraw/zinc/12/97/19/717129719.db2.gz KUWGNLMSYPKXGL-IEBWSBKVSA-N 2 2 349.906 2.749 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994626 717644890 /nfs/dbraw/zinc/64/48/90/717644890.db2.gz XMMISYLQLRRDCR-XIRDDKMYSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994626 717644891 /nfs/dbraw/zinc/64/48/91/717644891.db2.gz XMMISYLQLRRDCR-XIRDDKMYSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468719 717774197 /nfs/dbraw/zinc/77/41/97/717774197.db2.gz MNQJFERYJDHVCX-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468719 717774203 /nfs/dbraw/zinc/77/42/03/717774203.db2.gz MNQJFERYJDHVCX-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468719 717774206 /nfs/dbraw/zinc/77/42/06/717774206.db2.gz MNQJFERYJDHVCX-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468719 717774208 /nfs/dbraw/zinc/77/42/08/717774208.db2.gz MNQJFERYJDHVCX-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024487141 717810802 /nfs/dbraw/zinc/81/08/02/717810802.db2.gz NFDLZGUMUHNDRQ-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024487141 717810804 /nfs/dbraw/zinc/81/08/04/717810804.db2.gz NFDLZGUMUHNDRQ-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024487141 717810807 /nfs/dbraw/zinc/81/08/07/717810807.db2.gz NFDLZGUMUHNDRQ-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024487141 717810809 /nfs/dbraw/zinc/81/08/09/717810809.db2.gz NFDLZGUMUHNDRQ-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980157901 717841064 /nfs/dbraw/zinc/84/10/64/717841064.db2.gz BRKBJHLYZCQEBI-IPMKNSEASA-N 2 2 339.483 2.860 20 30 EFEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]2C1 ZINC000980157901 717841066 /nfs/dbraw/zinc/84/10/66/717841066.db2.gz BRKBJHLYZCQEBI-IPMKNSEASA-N 2 2 339.483 2.860 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535291 717891154 /nfs/dbraw/zinc/89/11/54/717891154.db2.gz PZGAQKCDLCQSMP-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535291 717891158 /nfs/dbraw/zinc/89/11/58/717891158.db2.gz PZGAQKCDLCQSMP-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024811880 718175353 /nfs/dbraw/zinc/17/53/53/718175353.db2.gz DFMOYELDEQCNPG-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024811880 718175354 /nfs/dbraw/zinc/17/53/54/718175354.db2.gz DFMOYELDEQCNPG-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024811880 718175355 /nfs/dbraw/zinc/17/53/55/718175355.db2.gz DFMOYELDEQCNPG-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024811880 718175356 /nfs/dbraw/zinc/17/53/56/718175356.db2.gz DFMOYELDEQCNPG-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024811882 718175628 /nfs/dbraw/zinc/17/56/28/718175628.db2.gz DFMOYELDEQCNPG-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024811882 718175629 /nfs/dbraw/zinc/17/56/29/718175629.db2.gz DFMOYELDEQCNPG-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024811882 718175631 /nfs/dbraw/zinc/17/56/31/718175631.db2.gz DFMOYELDEQCNPG-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024811882 718175632 /nfs/dbraw/zinc/17/56/32/718175632.db2.gz DFMOYELDEQCNPG-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245105 718469584 /nfs/dbraw/zinc/46/95/84/718469584.db2.gz ZXZCVDVGGWXUKU-MSOLQXFVSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245105 718469585 /nfs/dbraw/zinc/46/95/85/718469585.db2.gz ZXZCVDVGGWXUKU-MSOLQXFVSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253548 718479383 /nfs/dbraw/zinc/47/93/83/718479383.db2.gz WABYMQVSFIUSMD-QZTJIDSGSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253548 718479384 /nfs/dbraw/zinc/47/93/84/718479384.db2.gz WABYMQVSFIUSMD-QZTJIDSGSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028205589 719466361 /nfs/dbraw/zinc/46/63/61/719466361.db2.gz LFMUGRUDDXLVFF-QGZVFWFLSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028205589 719466363 /nfs/dbraw/zinc/46/63/63/719466363.db2.gz LFMUGRUDDXLVFF-QGZVFWFLSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042971 719498738 /nfs/dbraw/zinc/49/87/38/719498738.db2.gz WXBVUODEIQLVME-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042971 719498741 /nfs/dbraw/zinc/49/87/41/719498741.db2.gz WXBVUODEIQLVME-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000982306550 719874382 /nfs/dbraw/zinc/87/43/82/719874382.db2.gz TVLUSCOXLCZTSS-BGYRXZFFSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000982306550 719874387 /nfs/dbraw/zinc/87/43/87/719874387.db2.gz TVLUSCOXLCZTSS-BGYRXZFFSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982366713 719972233 /nfs/dbraw/zinc/97/22/33/719972233.db2.gz USJFZGSSLNDBRY-BGYRXZFFSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH+]ccn43)C[C@@]2(C)C1 ZINC000982366713 719972236 /nfs/dbraw/zinc/97/22/36/719972236.db2.gz USJFZGSSLNDBRY-BGYRXZFFSA-N 2 2 338.455 2.694 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982542223 720802940 /nfs/dbraw/zinc/80/29/40/720802940.db2.gz UQUWFFQGODZWCP-YSGRDPCXSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982542223 720802947 /nfs/dbraw/zinc/80/29/47/720802947.db2.gz UQUWFFQGODZWCP-YSGRDPCXSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982542222 720803081 /nfs/dbraw/zinc/80/30/81/720803081.db2.gz UQUWFFQGODZWCP-RYGJVYDSSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@]2(C)C1 ZINC000982542222 720803089 /nfs/dbraw/zinc/80/30/89/720803089.db2.gz UQUWFFQGODZWCP-RYGJVYDSSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982604841 720937440 /nfs/dbraw/zinc/93/74/40/720937440.db2.gz DVCZVMLRCMWSEX-YSIASYRMSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982604841 720937443 /nfs/dbraw/zinc/93/74/43/720937443.db2.gz DVCZVMLRCMWSEX-YSIASYRMSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619196 721212549 /nfs/dbraw/zinc/21/25/49/721212549.db2.gz PEPWALHRTVNKOM-QGZVFWFLSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619196 721212553 /nfs/dbraw/zinc/21/25/53/721212553.db2.gz PEPWALHRTVNKOM-QGZVFWFLSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974884981 721504338 /nfs/dbraw/zinc/50/43/38/721504338.db2.gz OXJZLLCVECRBDY-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974884981 721504339 /nfs/dbraw/zinc/50/43/39/721504339.db2.gz OXJZLLCVECRBDY-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000939457546 728934347 /nfs/dbraw/zinc/93/43/47/728934347.db2.gz JHDXVMLJFSWRBL-CXAGYDPISA-N 2 2 344.846 2.675 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000987300507 725635383 /nfs/dbraw/zinc/63/53/83/725635383.db2.gz OSDFGKNGXHYGJS-WMLDXEAASA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992239044 725638695 /nfs/dbraw/zinc/63/86/95/725638695.db2.gz HSNZUZLBLRRQLQ-ZTRFORPCSA-N 2 2 342.487 2.603 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992239044 725638697 /nfs/dbraw/zinc/63/86/97/725638697.db2.gz HSNZUZLBLRRQLQ-ZTRFORPCSA-N 2 2 342.487 2.603 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993355342 727158235 /nfs/dbraw/zinc/15/82/35/727158235.db2.gz VGVABMFIDIUCQX-DOTOQJQBSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993355342 727158236 /nfs/dbraw/zinc/15/82/36/727158236.db2.gz VGVABMFIDIUCQX-DOTOQJQBSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314822 728107525 /nfs/dbraw/zinc/10/75/25/728107525.db2.gz ILEYCBDOZJCPSL-YOEHRIQHSA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314822 728107528 /nfs/dbraw/zinc/10/75/28/728107528.db2.gz ILEYCBDOZJCPSL-YOEHRIQHSA-N 2 2 326.444 2.802 20 30 EFEDLP CNC(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000058185081 728149743 /nfs/dbraw/zinc/14/97/43/728149743.db2.gz LLYPNSVOTLEWDA-INIZCTEOSA-N 2 2 328.485 2.642 20 30 EFEDLP CNC(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000058185081 728149745 /nfs/dbraw/zinc/14/97/45/728149745.db2.gz LLYPNSVOTLEWDA-INIZCTEOSA-N 2 2 328.485 2.642 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771178 728309398 /nfs/dbraw/zinc/30/93/98/728309398.db2.gz HLVXKXRFAHNMJB-HUUCEWRRSA-N 2 2 338.883 2.728 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771178 728309400 /nfs/dbraw/zinc/30/94/00/728309400.db2.gz HLVXKXRFAHNMJB-HUUCEWRRSA-N 2 2 338.883 2.728 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942285945 728390343 /nfs/dbraw/zinc/39/03/43/728390343.db2.gz GIHOVRCUJIQKNL-LRDDRELGSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942285945 728390346 /nfs/dbraw/zinc/39/03/46/728390346.db2.gz GIHOVRCUJIQKNL-LRDDRELGSA-N 2 2 332.835 2.527 20 30 EFEDLP CN(C)C(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000170913161 728495033 /nfs/dbraw/zinc/49/50/33/728495033.db2.gz SMLBHHQLWKRYGY-UHFFFAOYSA-N 2 2 333.439 2.975 20 30 EFEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)CCC[NH2+]1 ZINC001574892354 1088141213 /nfs/dbraw/zinc/14/12/13/1088141213.db2.gz AWDHPTJSBUTXPP-LJQANCHMSA-N 2 2 347.528 2.653 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066734 1090760783 /nfs/dbraw/zinc/76/07/83/1090760783.db2.gz RWHRPTRAOQNGDM-WBVHZDCISA-N 2 2 328.416 2.821 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001580066734 1090760789 /nfs/dbraw/zinc/76/07/89/1090760789.db2.gz RWHRPTRAOQNGDM-WBVHZDCISA-N 2 2 328.416 2.821 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001580066830 1090760808 /nfs/dbraw/zinc/76/08/08/1090760808.db2.gz WQALURLPQPZYOQ-GOSISDBHSA-N 3 2 326.488 2.502 20 30 EFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414348 1092820769 /nfs/dbraw/zinc/82/07/69/1092820769.db2.gz QWFIPJZIEDPYKS-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588656910 1092977922 /nfs/dbraw/zinc/97/79/22/1092977922.db2.gz BRDNZRDFKXUPIB-KRWDZBQOSA-N 2 2 326.448 2.558 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001167601378 1093017998 /nfs/dbraw/zinc/01/79/98/1093017998.db2.gz SYLLNAUADGNPIY-UHFFFAOYSA-N 2 2 338.455 2.938 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458612 1093231313 /nfs/dbraw/zinc/23/13/13/1093231313.db2.gz LKRLNBPCZHVFKJ-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458612 1093231328 /nfs/dbraw/zinc/23/13/28/1093231328.db2.gz LKRLNBPCZHVFKJ-QGZVFWFLSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460163 1093272487 /nfs/dbraw/zinc/27/24/87/1093272487.db2.gz LELJLHPCBLEJPI-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460163 1093272494 /nfs/dbraw/zinc/27/24/94/1093272494.db2.gz LELJLHPCBLEJPI-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001075461845 1093333256 /nfs/dbraw/zinc/33/32/56/1093333256.db2.gz TXYLOIZMSIPOBR-KRWDZBQOSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001075461845 1093333263 /nfs/dbraw/zinc/33/32/63/1093333263.db2.gz TXYLOIZMSIPOBR-KRWDZBQOSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104467941 1093385645 /nfs/dbraw/zinc/38/56/45/1093385645.db2.gz ARESKGRUIFYCIX-FGTMMUONSA-N 2 2 332.492 2.702 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665133 1094558801 /nfs/dbraw/zinc/55/88/01/1094558801.db2.gz MZZNRUHLVFIYKA-BRWVUGGUSA-N 2 2 344.503 2.870 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306802 1095194179 /nfs/dbraw/zinc/19/41/79/1095194179.db2.gz ORJLKJUJQYYLMO-NJAFHUGGSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306802 1095194185 /nfs/dbraw/zinc/19/41/85/1095194185.db2.gz ORJLKJUJQYYLMO-NJAFHUGGSA-N 2 2 330.476 2.524 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777360 1095835344 /nfs/dbraw/zinc/83/53/44/1095835344.db2.gz GTABMLOXZCROTH-BRWVUGGUSA-N 2 2 332.492 2.629 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777360 1095835360 /nfs/dbraw/zinc/83/53/60/1095835360.db2.gz GTABMLOXZCROTH-BRWVUGGUSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CC[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602852533 1096385447 /nfs/dbraw/zinc/38/54/47/1096385447.db2.gz VRRPGFSSPRZDLB-UHFFFAOYSA-N 2 2 340.475 2.731 20 30 EFEDLP C=CC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602852533 1096385448 /nfs/dbraw/zinc/38/54/48/1096385448.db2.gz VRRPGFSSPRZDLB-UHFFFAOYSA-N 2 2 340.475 2.731 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966573 1099201233 /nfs/dbraw/zinc/20/12/33/1099201233.db2.gz BXIGUKMBHUUNGN-FGTMMUONSA-N 2 2 346.519 2.782 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1CC ZINC001087607871 1100588762 /nfs/dbraw/zinc/58/87/62/1100588762.db2.gz BTQLIAKDSGZQSM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1CC ZINC001087607871 1100588767 /nfs/dbraw/zinc/58/87/67/1100588767.db2.gz BTQLIAKDSGZQSM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1CC ZINC001087607871 1100588774 /nfs/dbraw/zinc/58/87/74/1100588774.db2.gz BTQLIAKDSGZQSM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1CC ZINC001087607871 1100588780 /nfs/dbraw/zinc/58/87/80/1100588780.db2.gz BTQLIAKDSGZQSM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1CC ZINC001087607944 1100589028 /nfs/dbraw/zinc/58/90/28/1100589028.db2.gz HGJDQGGKQLBAKV-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1CC ZINC001087607944 1100589032 /nfs/dbraw/zinc/58/90/32/1100589032.db2.gz HGJDQGGKQLBAKV-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1CC ZINC001087607944 1100589035 /nfs/dbraw/zinc/58/90/35/1100589035.db2.gz HGJDQGGKQLBAKV-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1CC ZINC001087607944 1100589040 /nfs/dbraw/zinc/58/90/40/1100589040.db2.gz HGJDQGGKQLBAKV-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087619958 1100600334 /nfs/dbraw/zinc/60/03/34/1100600334.db2.gz LIHVJHFBJXDSKV-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087619958 1100600335 /nfs/dbraw/zinc/60/03/35/1100600335.db2.gz LIHVJHFBJXDSKV-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636433 1100617776 /nfs/dbraw/zinc/61/77/76/1100617776.db2.gz PVFNYOYIUUAVTF-GVDBMIGSSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636433 1100617779 /nfs/dbraw/zinc/61/77/79/1100617779.db2.gz PVFNYOYIUUAVTF-GVDBMIGSSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636433 1100617780 /nfs/dbraw/zinc/61/77/80/1100617780.db2.gz PVFNYOYIUUAVTF-GVDBMIGSSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636433 1100617781 /nfs/dbraw/zinc/61/77/81/1100617781.db2.gz PVFNYOYIUUAVTF-GVDBMIGSSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671882 1100652648 /nfs/dbraw/zinc/65/26/48/1100652648.db2.gz UOVDKAZDJILNRO-GVDBMIGSSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671882 1100652649 /nfs/dbraw/zinc/65/26/49/1100652649.db2.gz UOVDKAZDJILNRO-GVDBMIGSSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966007 1101093578 /nfs/dbraw/zinc/09/35/78/1101093578.db2.gz HQOVTIBCDIJXEW-MSOLQXFVSA-N 2 2 338.455 2.613 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966007 1101093584 /nfs/dbraw/zinc/09/35/84/1101093584.db2.gz HQOVTIBCDIJXEW-MSOLQXFVSA-N 2 2 338.455 2.613 20 30 EFEDLP N#Cc1ccc(NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001654622212 1101739249 /nfs/dbraw/zinc/73/92/49/1101739249.db2.gz BPQPXEJLRWIRBU-LJQANCHMSA-N 2 2 345.406 2.724 20 30 EFEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327598 1101777605 /nfs/dbraw/zinc/77/76/05/1101777605.db2.gz WGJNQAKKJKPTGV-KZNAEPCWSA-N 2 2 332.492 2.731 20 30 EFEDLP C=CCCCCC[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001209429118 1101865785 /nfs/dbraw/zinc/86/57/85/1101865785.db2.gz UVSBJMGZVQFQNM-UHFFFAOYSA-N 2 2 329.492 2.945 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167168040 1101976139 /nfs/dbraw/zinc/97/61/39/1101976139.db2.gz XCUBKIGAMXVWAM-HNNXBMFYSA-N 2 2 330.476 2.672 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001088391747 1103391565 /nfs/dbraw/zinc/39/15/65/1103391565.db2.gz SGKJYULZWUUKIJ-HZPDHXFCSA-N 2 2 338.883 2.948 20 30 EFEDLP C[NH+](C)Cc1nc(CSCC[NH2+]C#C[Si](C)(C)C)cs1 ZINC001168108195 1103399624 /nfs/dbraw/zinc/39/96/24/1103399624.db2.gz IDLJFLADFYMMRJ-UHFFFAOYSA-N 2 2 327.595 2.866 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001088413630 1103493946 /nfs/dbraw/zinc/49/39/46/1103493946.db2.gz KWBDUKDXZBCPQH-CQSZACIVSA-N 2 2 338.883 2.801 20 30 EFEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001088430142 1103577416 /nfs/dbraw/zinc/57/74/16/1103577416.db2.gz ISKHSYOSQICPKE-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001088430142 1103577423 /nfs/dbraw/zinc/57/74/23/1103577423.db2.gz ISKHSYOSQICPKE-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001088431721 1103590667 /nfs/dbraw/zinc/59/06/67/1103590667.db2.gz DZLSJWPCMFZOBW-RBUKOAKNSA-N 2 2 344.503 2.621 20 30 EFEDLP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669833592 1105530604 /nfs/dbraw/zinc/53/06/04/1105530604.db2.gz VZXPPMDTTSORDB-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669833592 1105530608 /nfs/dbraw/zinc/53/06/08/1105530608.db2.gz VZXPPMDTTSORDB-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544467 1105903071 /nfs/dbraw/zinc/90/30/71/1105903071.db2.gz KQWOGSXXYJQCRG-NUJGCVRESA-N 2 2 342.487 2.840 20 30 EFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544467 1105903075 /nfs/dbraw/zinc/90/30/75/1105903075.db2.gz KQWOGSXXYJQCRG-NUJGCVRESA-N 2 2 342.487 2.840 20 30 EFEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570424 1105950383 /nfs/dbraw/zinc/95/03/83/1105950383.db2.gz PJVXJZKDONBLQR-MRXNPFEDSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576437 1105964530 /nfs/dbraw/zinc/96/45/30/1105964530.db2.gz CNRVKVFVPFCGQO-GOSISDBHSA-N 2 2 344.503 2.978 20 30 EFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]cn2C)CCC1 ZINC001105577125 1105965347 /nfs/dbraw/zinc/96/53/47/1105965347.db2.gz QZYHHBCTNSJRIF-GOSISDBHSA-N 2 2 344.503 2.680 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582020 1105977652 /nfs/dbraw/zinc/97/76/52/1105977652.db2.gz PDEGCAFVGYLFGU-QGZVFWFLSA-N 2 2 330.476 2.600 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860519 1106750271 /nfs/dbraw/zinc/75/02/71/1106750271.db2.gz PCVKLGONLFRZFA-KEYYUXOJSA-N 2 2 345.890 2.530 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860519 1106750284 /nfs/dbraw/zinc/75/02/84/1106750284.db2.gz PCVKLGONLFRZFA-KEYYUXOJSA-N 2 2 345.890 2.530 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860519 1106750298 /nfs/dbraw/zinc/75/02/98/1106750298.db2.gz PCVKLGONLFRZFA-KEYYUXOJSA-N 2 2 345.890 2.530 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860519 1106750314 /nfs/dbraw/zinc/75/03/14/1106750314.db2.gz PCVKLGONLFRZFA-KEYYUXOJSA-N 2 2 345.890 2.530 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272478484 1108452504 /nfs/dbraw/zinc/45/25/04/1108452504.db2.gz LCVGRGFYOMTGEX-LJQANCHMSA-N 2 2 332.492 2.815 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272478484 1108452509 /nfs/dbraw/zinc/45/25/09/1108452509.db2.gz LCVGRGFYOMTGEX-LJQANCHMSA-N 2 2 332.492 2.815 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168366068 1109493386 /nfs/dbraw/zinc/49/33/86/1109493386.db2.gz BIUPFXMMFWOLFO-SFHVURJKSA-N 2 2 344.503 2.527 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097555 1109638256 /nfs/dbraw/zinc/63/82/56/1109638256.db2.gz PFNBEOPMHMOHJC-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097555 1109638258 /nfs/dbraw/zinc/63/82/58/1109638258.db2.gz PFNBEOPMHMOHJC-PKOBYXMFSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288278 1111331437 /nfs/dbraw/zinc/33/14/37/1111331437.db2.gz HOJOBUQOUIPVAR-KURKYZTESA-N 2 2 332.492 2.731 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224787 1111505402 /nfs/dbraw/zinc/50/54/02/1111505402.db2.gz IDDSDSSDXVJEIK-JKSUJKDBSA-N 2 2 343.943 2.932 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224787 1111505404 /nfs/dbraw/zinc/50/54/04/1111505404.db2.gz IDDSDSSDXVJEIK-JKSUJKDBSA-N 2 2 343.943 2.932 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419424 1111510203 /nfs/dbraw/zinc/51/02/03/1111510203.db2.gz KMMJMLZHPPRYGG-BRWVUGGUSA-N 2 2 340.471 2.987 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419792 1111510537 /nfs/dbraw/zinc/51/05/37/1111510537.db2.gz UTXBCADNTIPQFC-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089411343 1112087575 /nfs/dbraw/zinc/08/75/75/1112087575.db2.gz HBAZUHGYGIQDNM-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089411343 1112087579 /nfs/dbraw/zinc/08/75/79/1112087579.db2.gz HBAZUHGYGIQDNM-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089411343 1112087584 /nfs/dbraw/zinc/08/75/84/1112087584.db2.gz HBAZUHGYGIQDNM-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089411343 1112087589 /nfs/dbraw/zinc/08/75/89/1112087589.db2.gz HBAZUHGYGIQDNM-ARFHVFGLSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418764 1112098243 /nfs/dbraw/zinc/09/82/43/1112098243.db2.gz ALUHNNRTIXNWCS-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418764 1112098246 /nfs/dbraw/zinc/09/82/46/1112098246.db2.gz ALUHNNRTIXNWCS-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418771 1112098316 /nfs/dbraw/zinc/09/83/16/1112098316.db2.gz ALUHNNRTIXNWCS-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)C1 ZINC001089418771 1112098319 /nfs/dbraw/zinc/09/83/19/1112098319.db2.gz ALUHNNRTIXNWCS-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419403 1112099726 /nfs/dbraw/zinc/09/97/26/1112099726.db2.gz FTZYTDVHMKAAEQ-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC001089419403 1112099729 /nfs/dbraw/zinc/09/97/29/1112099729.db2.gz FTZYTDVHMKAAEQ-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424625 1112111832 /nfs/dbraw/zinc/11/18/32/1112111832.db2.gz WXLMKSGBFIGLAC-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC(C)(C)C1 ZINC001089424625 1112111833 /nfs/dbraw/zinc/11/18/33/1112111833.db2.gz WXLMKSGBFIGLAC-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440568 1112148421 /nfs/dbraw/zinc/14/84/21/1112148421.db2.gz BFAWVEYUMVZFCP-OAHLLOKOSA-N 2 2 338.883 2.551 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440568 1112148424 /nfs/dbraw/zinc/14/84/24/1112148424.db2.gz BFAWVEYUMVZFCP-OAHLLOKOSA-N 2 2 338.883 2.551 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089493554 1112229301 /nfs/dbraw/zinc/22/93/01/1112229301.db2.gz XSBNJSWYBBFQHJ-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089493554 1112229307 /nfs/dbraw/zinc/22/93/07/1112229307.db2.gz XSBNJSWYBBFQHJ-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562531 1112313344 /nfs/dbraw/zinc/31/33/44/1112313344.db2.gz HAOPSNWAQFXWQV-OAHLLOKOSA-N 2 2 338.883 2.551 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562531 1112313349 /nfs/dbraw/zinc/31/33/49/1112313349.db2.gz HAOPSNWAQFXWQV-OAHLLOKOSA-N 2 2 338.883 2.551 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657446 1112579540 /nfs/dbraw/zinc/57/95/40/1112579540.db2.gz DBBFSDUGTGYKIP-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001089657446 1112579544 /nfs/dbraw/zinc/57/95/44/1112579544.db2.gz DBBFSDUGTGYKIP-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659040 1112588794 /nfs/dbraw/zinc/58/87/94/1112588794.db2.gz RFXJQQKZBOVASP-HZPDHXFCSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659040 1112588797 /nfs/dbraw/zinc/58/87/97/1112588797.db2.gz RFXJQQKZBOVASP-HZPDHXFCSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659040 1112588802 /nfs/dbraw/zinc/58/88/02/1112588802.db2.gz RFXJQQKZBOVASP-HZPDHXFCSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659040 1112588807 /nfs/dbraw/zinc/58/88/07/1112588807.db2.gz RFXJQQKZBOVASP-HZPDHXFCSA-N 2 2 341.927 2.830 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661108 1112610310 /nfs/dbraw/zinc/61/03/10/1112610310.db2.gz SMHMMCJOTYPWMI-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661108 1112610311 /nfs/dbraw/zinc/61/03/11/1112610311.db2.gz SMHMMCJOTYPWMI-IAGOWNOFSA-N 2 2 344.503 2.628 20 30 EFEDLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cccc(C#N)c1 ZINC001484995601 1117922173 /nfs/dbraw/zinc/92/21/73/1117922173.db2.gz WYIDYDYCGHMZHG-HNNXBMFYSA-N 2 2 347.422 2.504 20 30 EFEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001089827952 1117990956 /nfs/dbraw/zinc/99/09/56/1117990956.db2.gz QDXFXLKACOIIDH-FJXLLPKBSA-N 2 2 336.439 2.531 20 30 EFEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001089827952 1117990959 /nfs/dbraw/zinc/99/09/59/1117990959.db2.gz QDXFXLKACOIIDH-FJXLLPKBSA-N 2 2 336.439 2.531 20 30 EFEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827951 1117990973 /nfs/dbraw/zinc/99/09/73/1117990973.db2.gz QDXFXLKACOIIDH-AMVTXUCVSA-N 2 2 336.439 2.531 20 30 EFEDLP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089827951 1117990977 /nfs/dbraw/zinc/99/09/77/1117990977.db2.gz QDXFXLKACOIIDH-AMVTXUCVSA-N 2 2 336.439 2.531 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272699648 1118339922 /nfs/dbraw/zinc/33/99/22/1118339922.db2.gz MALJDASLEXTXGT-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272699648 1118339925 /nfs/dbraw/zinc/33/99/25/1118339925.db2.gz MALJDASLEXTXGT-LJQANCHMSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537831 1118939387 /nfs/dbraw/zinc/93/93/87/1118939387.db2.gz GXDNERVYLYRMSU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537831 1118939389 /nfs/dbraw/zinc/93/93/89/1118939389.db2.gz GXDNERVYLYRMSU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286813 1119400062 /nfs/dbraw/zinc/40/00/62/1119400062.db2.gz GWFMKLWBUIWDRJ-HIFRSBDPSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286813 1119400064 /nfs/dbraw/zinc/40/00/64/1119400064.db2.gz GWFMKLWBUIWDRJ-HIFRSBDPSA-N 2 2 338.883 2.586 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107075687 1120271155 /nfs/dbraw/zinc/27/11/55/1120271155.db2.gz AYXBEFFCDBFKHW-FGTMMUONSA-N 2 2 332.492 2.702 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090523 1120560917 /nfs/dbraw/zinc/56/09/17/1120560917.db2.gz KXNGDKFLXUDCSO-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090523 1120560920 /nfs/dbraw/zinc/56/09/20/1120560920.db2.gz KXNGDKFLXUDCSO-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090523 1120560924 /nfs/dbraw/zinc/56/09/24/1120560924.db2.gz KXNGDKFLXUDCSO-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945090523 1120560927 /nfs/dbraw/zinc/56/09/27/1120560927.db2.gz KXNGDKFLXUDCSO-RDJZCZTQSA-N 2 2 347.528 2.509 20 30 EFEDLP CN1CC[NH+]=C1NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000262657105 240362774 /nfs/dbraw/zinc/36/27/74/240362774.db2.gz LWEYFTJSPGXUFQ-KRWDZBQOSA-N 2 2 340.496 2.739 20 30 EFEDLP CN1CC[NH+]=C1NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000262657105 240362783 /nfs/dbraw/zinc/36/27/83/240362783.db2.gz LWEYFTJSPGXUFQ-KRWDZBQOSA-N 2 2 340.496 2.739 20 30 EFEDLP C[C@@H]1CCN(C(NCCc2ccco2)=[NH+]C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000262685887 240365312 /nfs/dbraw/zinc/36/53/12/240365312.db2.gz UZYOITPROZGPRU-QAPCUYQASA-N 2 2 341.459 2.710 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130446400 223152836 /nfs/dbraw/zinc/15/28/36/223152836.db2.gz LOZBQALYMZYWRU-UHFFFAOYSA-N 2 2 345.834 2.677 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759223 216304051 /nfs/dbraw/zinc/30/40/51/216304051.db2.gz LLFDMOUCFAUWDS-YJBOKZPZSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759223 216304053 /nfs/dbraw/zinc/30/40/53/216304053.db2.gz LLFDMOUCFAUWDS-YJBOKZPZSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759223 216304056 /nfs/dbraw/zinc/30/40/56/216304056.db2.gz LLFDMOUCFAUWDS-YJBOKZPZSA-N 2 2 328.460 2.691 20 30 EFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072759223 216304059 /nfs/dbraw/zinc/30/40/59/216304059.db2.gz LLFDMOUCFAUWDS-YJBOKZPZSA-N 2 2 328.460 2.691 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000193356295 240096617 /nfs/dbraw/zinc/09/66/17/240096617.db2.gz YHACJTDXQRBSHE-ZCNNSNEGSA-N 2 2 327.472 2.949 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000193356295 240096623 /nfs/dbraw/zinc/09/66/23/240096623.db2.gz YHACJTDXQRBSHE-ZCNNSNEGSA-N 2 2 327.472 2.949 20 30 EFEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451983 240255311 /nfs/dbraw/zinc/25/53/11/240255311.db2.gz QAAQHSVKWGKDSL-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451983 240255320 /nfs/dbraw/zinc/25/53/20/240255320.db2.gz QAAQHSVKWGKDSL-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451983 240255324 /nfs/dbraw/zinc/25/53/24/240255324.db2.gz QAAQHSVKWGKDSL-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451983 240255329 /nfs/dbraw/zinc/25/53/29/240255329.db2.gz QAAQHSVKWGKDSL-SFANZJOMSA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247096620 240276500 /nfs/dbraw/zinc/27/65/00/240276500.db2.gz UYYWZCNINDEBSK-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247096620 240276503 /nfs/dbraw/zinc/27/65/03/240276503.db2.gz UYYWZCNINDEBSK-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247096620 240276504 /nfs/dbraw/zinc/27/65/04/240276504.db2.gz UYYWZCNINDEBSK-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247096620 240276508 /nfs/dbraw/zinc/27/65/08/240276508.db2.gz UYYWZCNINDEBSK-NRGCRIOASA-N 2 2 348.535 2.579 20 30 EFEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCCS1 ZINC000262010699 240339381 /nfs/dbraw/zinc/33/93/81/240339381.db2.gz WOTIFBZUFWHSML-CQSZACIVSA-N 2 2 347.463 2.572 20 30 EFEDLP C[C@H](NC(=[NH2+])NCc1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000262339615 240346246 /nfs/dbraw/zinc/34/62/46/240346246.db2.gz CGGCQQRSTGABRF-VIFPVBQESA-N 2 2 326.231 2.892 20 30 EFEDLP C[NH+]=C(NC[C@@H](c1ccsc1)[NH+](C)C)N1CCc2ccccc21 ZINC000262950493 240374889 /nfs/dbraw/zinc/37/48/89/240374889.db2.gz BSZWGDJOUXWJKI-KRWDZBQOSA-N 2 2 328.485 2.989 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000264060573 240398416 /nfs/dbraw/zinc/39/84/16/240398416.db2.gz COMQISZXVGGGCK-KRWDZBQOSA-N 2 2 330.407 2.864 20 30 EFEDLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OCCCC#N ZINC000268117552 240548364 /nfs/dbraw/zinc/54/83/64/240548364.db2.gz LBAWPPQDIGHKIW-YJBOKZPZSA-N 2 2 343.471 2.950 20 30 EFEDLP COc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OCCCC#N ZINC000268117552 240548369 /nfs/dbraw/zinc/54/83/69/240548369.db2.gz LBAWPPQDIGHKIW-YJBOKZPZSA-N 2 2 343.471 2.950 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000328636133 241210262 /nfs/dbraw/zinc/21/02/62/241210262.db2.gz AAJUYBZJYGRLGV-GJZGRUSLSA-N 2 2 342.447 2.586 20 30 EFEDLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328755053 241235784 /nfs/dbraw/zinc/23/57/84/241235784.db2.gz DZWOCCMSVRNAKM-BFYDXBDKSA-N 2 2 334.464 2.861 20 30 EFEDLP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328755053 241235794 /nfs/dbraw/zinc/23/57/94/241235794.db2.gz DZWOCCMSVRNAKM-BFYDXBDKSA-N 2 2 334.464 2.861 20 30 EFEDLP CC(C)[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1[nH]cc[nH+]1 ZINC000328792872 241243186 /nfs/dbraw/zinc/24/31/86/241243186.db2.gz ZXHYSOZNPJYJTR-INIZCTEOSA-N 2 2 344.463 2.709 20 30 EFEDLP Cc1cn2cc(NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)ccc2[nH+]1 ZINC000329474025 241378648 /nfs/dbraw/zinc/37/86/48/241378648.db2.gz OTCHPRMCXWITHH-ZBFHGGJFSA-N 2 2 327.432 2.747 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329233967 241332931 /nfs/dbraw/zinc/33/29/31/241332931.db2.gz MKFBTLHHFOKYQA-GDBMZVCRSA-N 2 2 343.431 2.562 20 30 EFEDLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329233967 241332940 /nfs/dbraw/zinc/33/29/40/241332940.db2.gz MKFBTLHHFOKYQA-GDBMZVCRSA-N 2 2 343.431 2.562 20 30 EFEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458350 243257050 /nfs/dbraw/zinc/25/70/50/243257050.db2.gz NGLZRWRELUMLRZ-HOTGVXAUSA-N 2 2 346.500 2.531 20 30 EFEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458350 243257055 /nfs/dbraw/zinc/25/70/55/243257055.db2.gz NGLZRWRELUMLRZ-HOTGVXAUSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458350 243257058 /nfs/dbraw/zinc/25/70/58/243257058.db2.gz NGLZRWRELUMLRZ-HOTGVXAUSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246458350 243257062 /nfs/dbraw/zinc/25/70/62/243257062.db2.gz NGLZRWRELUMLRZ-HOTGVXAUSA-N 2 2 346.500 2.531 20 30 EFEDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000414521364 244208500 /nfs/dbraw/zinc/20/85/00/244208500.db2.gz BRUFCEPECKSXSL-YLJYHZDGSA-N 2 2 339.439 2.778 20 30 EFEDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000414521364 244208505 /nfs/dbraw/zinc/20/85/05/244208505.db2.gz BRUFCEPECKSXSL-YLJYHZDGSA-N 2 2 339.439 2.778 20 30 EFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000191488694 284131886 /nfs/dbraw/zinc/13/18/86/284131886.db2.gz NEDXWELUOLIICC-UHFFFAOYSA-N 2 2 345.472 2.729 20 30 EFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000191488694 284131889 /nfs/dbraw/zinc/13/18/89/284131889.db2.gz NEDXWELUOLIICC-UHFFFAOYSA-N 2 2 345.472 2.729 20 30 EFEDLP C[N@H+](Cc1ccc(CC#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944339 247215961 /nfs/dbraw/zinc/21/59/61/247215961.db2.gz WKNMPINTOGDAJU-JOCHJYFZSA-N 2 2 349.478 2.821 20 30 EFEDLP C[N@@H+](Cc1ccc(CC#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944339 247215965 /nfs/dbraw/zinc/21/59/65/247215965.db2.gz WKNMPINTOGDAJU-JOCHJYFZSA-N 2 2 349.478 2.821 20 30 EFEDLP C[NH+](Cc1ccc(CC#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425944339 247215970 /nfs/dbraw/zinc/21/59/70/247215970.db2.gz WKNMPINTOGDAJU-JOCHJYFZSA-N 2 2 349.478 2.821 20 30 EFEDLP C[NH+](Cc1ccc(CC#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425944339 247215975 /nfs/dbraw/zinc/21/59/75/247215975.db2.gz WKNMPINTOGDAJU-JOCHJYFZSA-N 2 2 349.478 2.821 20 30 EFEDLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1C#N ZINC000443981713 250243165 /nfs/dbraw/zinc/24/31/65/250243165.db2.gz SDRJHXQTENICKZ-UHFFFAOYSA-N 2 2 335.451 2.989 20 30 EFEDLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000444004902 250247784 /nfs/dbraw/zinc/24/77/84/250247784.db2.gz SXKLKHYETISWCZ-NRFANRHFSA-N 2 2 335.451 2.593 20 30 EFEDLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000444004902 250247789 /nfs/dbraw/zinc/24/77/89/250247789.db2.gz SXKLKHYETISWCZ-NRFANRHFSA-N 2 2 335.451 2.593 20 30 EFEDLP CC(C)(O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449729046 251133296 /nfs/dbraw/zinc/13/32/96/251133296.db2.gz YKWVRLVWVXYWET-UHFFFAOYSA-N 2 2 329.488 2.909 20 30 EFEDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459342292 255861730 /nfs/dbraw/zinc/86/17/30/255861730.db2.gz XENHXMRMQHWQBC-UHFFFAOYSA-N 2 2 339.399 2.655 20 30 EFEDLP C[C@@H]1[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@@H+]1C ZINC000346332698 142190655 /nfs/dbraw/zinc/19/06/55/142190655.db2.gz MGVUQSUGYLEDSN-UZLBHIALSA-N 2 2 326.488 2.595 20 30 EFEDLP C[C@@H]1[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@H+]1C ZINC000346332698 142190656 /nfs/dbraw/zinc/19/06/56/142190656.db2.gz MGVUQSUGYLEDSN-UZLBHIALSA-N 2 2 326.488 2.595 20 30 EFEDLP C[C@H]1[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@@H+]1C ZINC000346332692 142191010 /nfs/dbraw/zinc/19/10/10/142191010.db2.gz MGVUQSUGYLEDSN-OXJNMPFZSA-N 2 2 326.488 2.595 20 30 EFEDLP C[C@H]1[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@H+]1C ZINC000346332692 142191011 /nfs/dbraw/zinc/19/10/11/142191011.db2.gz MGVUQSUGYLEDSN-OXJNMPFZSA-N 2 2 326.488 2.595 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903620 146345566 /nfs/dbraw/zinc/34/55/66/146345566.db2.gz POGLLMCTVUQHME-IDHHARJASA-N 2 2 342.462 2.738 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000352903620 146345568 /nfs/dbraw/zinc/34/55/68/146345568.db2.gz POGLLMCTVUQHME-IDHHARJASA-N 2 2 342.462 2.738 20 30 EFEDLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000356144339 147158984 /nfs/dbraw/zinc/15/89/84/147158984.db2.gz YZGGLGHROBUTES-GASCZTMLSA-N 2 2 348.516 2.726 20 30 EFEDLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000356144339 147158986 /nfs/dbraw/zinc/15/89/86/147158986.db2.gz YZGGLGHROBUTES-GASCZTMLSA-N 2 2 348.516 2.726 20 30 EFEDLP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000293040213 267017833 /nfs/dbraw/zinc/01/78/33/267017833.db2.gz QOMIFEWLFPVLGB-OXQOHEQNSA-N 2 2 327.472 2.663 20 30 EFEDLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)cc1C#N ZINC000276776399 267048438 /nfs/dbraw/zinc/04/84/38/267048438.db2.gz PTAZBMIPEBQUEM-LJQANCHMSA-N 2 2 337.471 2.778 20 30 EFEDLP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)cc1C#N ZINC000276776399 267048440 /nfs/dbraw/zinc/04/84/40/267048440.db2.gz PTAZBMIPEBQUEM-LJQANCHMSA-N 2 2 337.471 2.778 20 30 EFEDLP Cn1cc(C[NH+]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)cc1C#N ZINC000276776399 267048444 /nfs/dbraw/zinc/04/84/44/267048444.db2.gz PTAZBMIPEBQUEM-LJQANCHMSA-N 2 2 337.471 2.778 20 30 EFEDLP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287567879 267071187 /nfs/dbraw/zinc/07/11/87/267071187.db2.gz QLMRSDXOIDNVQC-VQIMIIECSA-N 2 2 327.472 2.785 20 30 EFEDLP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287567871 267071249 /nfs/dbraw/zinc/07/12/49/267071249.db2.gz QLMRSDXOIDNVQC-APWZRJJASA-N 2 2 327.472 2.785 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277191169 267127911 /nfs/dbraw/zinc/12/79/11/267127911.db2.gz LWWSRQUNJSVMCO-BBRMVZONSA-N 2 2 348.878 2.955 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277191169 267127913 /nfs/dbraw/zinc/12/79/13/267127913.db2.gz LWWSRQUNJSVMCO-BBRMVZONSA-N 2 2 348.878 2.955 20 30 EFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827197 267227978 /nfs/dbraw/zinc/22/79/78/267227978.db2.gz DCUAKUHYZUWCAH-HRAATJIYSA-N 2 2 338.499 2.595 20 30 EFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271827197 267227980 /nfs/dbraw/zinc/22/79/80/267227980.db2.gz DCUAKUHYZUWCAH-HRAATJIYSA-N 2 2 338.499 2.595 20 30 EFEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573104 268113877 /nfs/dbraw/zinc/11/38/77/268113877.db2.gz VLHVKEPELFJUJN-AEFFLSMTSA-N 2 2 349.438 2.656 20 30 EFEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000272573104 268113880 /nfs/dbraw/zinc/11/38/80/268113880.db2.gz VLHVKEPELFJUJN-AEFFLSMTSA-N 2 2 349.438 2.656 20 30 EFEDLP CC[NH+]=C(NCc1ccsc1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261961056 276096055 /nfs/dbraw/zinc/09/60/55/276096055.db2.gz KFMPPFSOIPSMEQ-GDBMZVCRSA-N 2 2 331.489 2.993 20 30 EFEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CCSC(C)(C)C1 ZINC000125936808 278167606 /nfs/dbraw/zinc/16/76/06/278167606.db2.gz FZTRMYYFGOFWSR-UHFFFAOYSA-N 2 2 345.516 2.670 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157363525 298135833 /nfs/dbraw/zinc/13/58/33/298135833.db2.gz ORSNEZHISPINTL-MSOLQXFVSA-N 2 2 346.519 2.668 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157363525 298135836 /nfs/dbraw/zinc/13/58/36/298135836.db2.gz ORSNEZHISPINTL-MSOLQXFVSA-N 2 2 346.519 2.668 20 30 EFEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000551175471 318202647 /nfs/dbraw/zinc/20/26/47/318202647.db2.gz VPDYFESQFXFXFS-UHFFFAOYSA-N 2 2 349.438 2.858 20 30 EFEDLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1Cl ZINC000567673921 319194614 /nfs/dbraw/zinc/19/46/14/319194614.db2.gz STHDAAYWAOVTAZ-NSHDSACASA-N 2 2 344.850 2.648 20 30 EFEDLP Cc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]cc3C#N)CC2)oc1C ZINC000576630757 320033754 /nfs/dbraw/zinc/03/37/54/320033754.db2.gz BOMWZRDTLNVPPC-UHFFFAOYSA-N 2 2 339.443 2.613 20 30 EFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176913730 473265858 /nfs/dbraw/zinc/26/58/58/473265858.db2.gz YKRMNQMUXDSSFB-IBGZPJMESA-N 2 2 341.455 2.688 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000631066087 479872978 /nfs/dbraw/zinc/87/29/78/479872978.db2.gz ZVVZNVYIKUBUBT-UHFFFAOYSA-N 2 2 329.488 2.904 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccccc1Cl ZINC000087168785 472312704 /nfs/dbraw/zinc/31/27/04/472312704.db2.gz HPWLKFLASJVUMM-GFCCVEGCSA-N 2 2 348.882 2.566 20 30 EFEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710702 472406238 /nfs/dbraw/zinc/40/62/38/472406238.db2.gz NQGISQDHGPVIAG-UHFFFAOYSA-N 2 2 335.451 2.848 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000104167848 472659690 /nfs/dbraw/zinc/65/96/90/472659690.db2.gz XIZWZZUPEUKNFD-KRWDZBQOSA-N 2 2 330.407 2.864 20 30 EFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N(C)Cc1ccccc1C ZINC000073754905 472869644 /nfs/dbraw/zinc/86/96/44/472869644.db2.gz VINDZMUBPZEJMK-UHFFFAOYSA-N 2 2 348.454 2.783 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000153040573 473605663 /nfs/dbraw/zinc/60/56/63/473605663.db2.gz WJGNCKWYSVBKJM-RXVVDRJESA-N 3 2 342.531 2.922 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000153040573 473605669 /nfs/dbraw/zinc/60/56/69/473605669.db2.gz WJGNCKWYSVBKJM-RXVVDRJESA-N 3 2 342.531 2.922 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CO)CCCC3)CC2)cc1 ZINC000186480119 473679578 /nfs/dbraw/zinc/67/95/78/473679578.db2.gz AKZHXZQTOGASBJ-UHFFFAOYSA-N 2 2 327.472 2.665 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000281497295 473741891 /nfs/dbraw/zinc/74/18/91/473741891.db2.gz FICYZNGBLJXDQU-BBRMVZONSA-N 2 2 336.399 2.604 20 30 EFEDLP CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274145576 473744138 /nfs/dbraw/zinc/74/41/38/473744138.db2.gz XPWSKGUYWISTRS-IBGZPJMESA-N 2 2 344.503 2.667 20 30 EFEDLP CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274145576 473744148 /nfs/dbraw/zinc/74/41/48/473744148.db2.gz XPWSKGUYWISTRS-IBGZPJMESA-N 2 2 344.503 2.667 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)cc1 ZINC000173370451 473817003 /nfs/dbraw/zinc/81/70/03/473817003.db2.gz AZUHSHGSLBLHDK-UHFFFAOYSA-N 2 2 334.383 2.642 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173599287 473887425 /nfs/dbraw/zinc/88/74/25/473887425.db2.gz RCAPGLQXVJVQHV-QZTJIDSGSA-N 2 2 346.519 2.525 20 30 EFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173599287 473887433 /nfs/dbraw/zinc/88/74/33/473887433.db2.gz RCAPGLQXVJVQHV-QZTJIDSGSA-N 2 2 346.519 2.525 20 30 EFEDLP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000264109163 473951029 /nfs/dbraw/zinc/95/10/29/473951029.db2.gz OJFBXHRTOFAVEH-SFHVURJKSA-N 2 2 348.491 2.559 20 30 EFEDLP COc1ccc([C@@H](CNC(=[NH2+])NC2CCCCC2)[NH+](C)C)cc1OC ZINC000264142252 473954386 /nfs/dbraw/zinc/95/43/86/473954386.db2.gz WWHRFIIRPVEMSC-MRXNPFEDSA-N 2 2 348.491 2.544 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181072913 474002499 /nfs/dbraw/zinc/00/24/99/474002499.db2.gz MBFMBONHXDCWKA-TVRKMHQQSA-N 2 2 345.491 2.524 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181072913 474002504 /nfs/dbraw/zinc/00/25/04/474002504.db2.gz MBFMBONHXDCWKA-TVRKMHQQSA-N 2 2 345.491 2.524 20 30 EFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000174218373 474007862 /nfs/dbraw/zinc/00/78/62/474007862.db2.gz SAGIXCFIPWYNEN-QGZVFWFLSA-N 2 2 331.460 2.609 20 30 EFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000174218373 474007871 /nfs/dbraw/zinc/00/78/71/474007871.db2.gz SAGIXCFIPWYNEN-QGZVFWFLSA-N 2 2 331.460 2.609 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246989110 474026535 /nfs/dbraw/zinc/02/65/35/474026535.db2.gz HRSYEOKOTXGYSR-VQIMIIECSA-N 2 2 340.471 2.836 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246989110 474026541 /nfs/dbraw/zinc/02/65/41/474026541.db2.gz HRSYEOKOTXGYSR-VQIMIIECSA-N 2 2 340.471 2.836 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188312596 474055997 /nfs/dbraw/zinc/05/59/97/474055997.db2.gz IXGYCCSKHKMVPF-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C#N)ccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188312596 474055999 /nfs/dbraw/zinc/05/59/99/474055999.db2.gz IXGYCCSKHKMVPF-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188312596 474056002 /nfs/dbraw/zinc/05/60/02/474056002.db2.gz IXGYCCSKHKMVPF-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C#N)ccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188312596 474056006 /nfs/dbraw/zinc/05/60/06/474056006.db2.gz IXGYCCSKHKMVPF-JOCHJYFZSA-N 2 2 349.478 2.936 20 30 EFEDLP C=CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000275257645 474121257 /nfs/dbraw/zinc/12/12/57/474121257.db2.gz HYOAQPCVIWDMHI-HXUWFJFHSA-N 2 2 343.515 2.831 20 30 EFEDLP C=CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000275257645 474121263 /nfs/dbraw/zinc/12/12/63/474121263.db2.gz HYOAQPCVIWDMHI-HXUWFJFHSA-N 2 2 343.515 2.831 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183562853 474393098 /nfs/dbraw/zinc/39/30/98/474393098.db2.gz WVQOTHGBINBLSW-HNNXBMFYSA-N 2 2 332.444 2.539 20 30 EFEDLP CO[C@@H](CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000283472632 474413712 /nfs/dbraw/zinc/41/37/12/474413712.db2.gz SNVJJESWCGNLRN-SFHVURJKSA-N 2 2 327.428 2.773 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000266152438 474421780 /nfs/dbraw/zinc/42/17/80/474421780.db2.gz XEKCSUSQQZAGNH-HNNXBMFYSA-N 2 2 346.450 2.535 20 30 EFEDLP CC(C)(CCC#N)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000266166653 474421958 /nfs/dbraw/zinc/42/19/58/474421958.db2.gz AVVBCGQCJQSRGB-UHFFFAOYSA-N 3 2 329.492 2.513 20 30 EFEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000271232690 474455247 /nfs/dbraw/zinc/45/52/47/474455247.db2.gz VBQVOPJRIHRDMT-UHFFFAOYSA-N 2 2 326.322 2.938 20 30 EFEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290405903 474571317 /nfs/dbraw/zinc/57/13/17/474571317.db2.gz JRDFGSQIAXWICQ-UHFFFAOYSA-N 2 2 349.442 2.577 20 30 EFEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290405903 474571322 /nfs/dbraw/zinc/57/13/22/474571322.db2.gz JRDFGSQIAXWICQ-UHFFFAOYSA-N 2 2 349.442 2.577 20 30 EFEDLP C[N@H+](Cc1ccc(C#N)s1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321671 474578969 /nfs/dbraw/zinc/57/89/69/474578969.db2.gz REUIJWCHVXLQPK-LJQANCHMSA-N 2 2 341.480 2.689 20 30 EFEDLP C[N@@H+](Cc1ccc(C#N)s1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321671 474578975 /nfs/dbraw/zinc/57/89/75/474578975.db2.gz REUIJWCHVXLQPK-LJQANCHMSA-N 2 2 341.480 2.689 20 30 EFEDLP C[NH+](Cc1ccc(C#N)s1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190321671 474578980 /nfs/dbraw/zinc/57/89/80/474578980.db2.gz REUIJWCHVXLQPK-LJQANCHMSA-N 2 2 341.480 2.689 20 30 EFEDLP C[NH+](Cc1ccc(C#N)s1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190321671 474578982 /nfs/dbraw/zinc/57/89/82/474578982.db2.gz REUIJWCHVXLQPK-LJQANCHMSA-N 2 2 341.480 2.689 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCCCC#N ZINC000272589046 474619645 /nfs/dbraw/zinc/61/96/45/474619645.db2.gz HQGWKMGUVJAWGK-QZTJIDSGSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCCCC#N ZINC000272589046 474619650 /nfs/dbraw/zinc/61/96/50/474619650.db2.gz HQGWKMGUVJAWGK-QZTJIDSGSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OCCCC#N ZINC000272589046 474619654 /nfs/dbraw/zinc/61/96/54/474619654.db2.gz HQGWKMGUVJAWGK-QZTJIDSGSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OCCCC#N ZINC000272589046 474619659 /nfs/dbraw/zinc/61/96/59/474619659.db2.gz HQGWKMGUVJAWGK-QZTJIDSGSA-N 2 2 343.471 2.904 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000268188611 474852475 /nfs/dbraw/zinc/85/24/75/474852475.db2.gz XEIDBEPUOXLBOQ-INIZCTEOSA-N 2 2 330.451 2.694 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000268188611 474852484 /nfs/dbraw/zinc/85/24/84/474852484.db2.gz XEIDBEPUOXLBOQ-INIZCTEOSA-N 2 2 330.451 2.694 20 30 EFEDLP C[C@@H]1C(=O)CC[C@H]1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329996442 475182038 /nfs/dbraw/zinc/18/20/38/475182038.db2.gz OXFRCKXREREVJD-GJZGRUSLSA-N 2 2 335.492 2.507 20 30 EFEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000330130699 475202865 /nfs/dbraw/zinc/20/28/65/475202865.db2.gz PDOGTEILRIKHER-UHFFFAOYSA-N 2 2 345.491 2.584 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330281315 475222223 /nfs/dbraw/zinc/22/22/23/475222223.db2.gz UKYZQLHYGGJFOC-ZBFHGGJFSA-N 2 2 331.464 2.581 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330281315 475222227 /nfs/dbraw/zinc/22/22/27/475222227.db2.gz UKYZQLHYGGJFOC-ZBFHGGJFSA-N 2 2 331.464 2.581 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330294033 475224901 /nfs/dbraw/zinc/22/49/01/475224901.db2.gz IFZBXQHUPRRSFS-KRWDZBQOSA-N 2 2 346.475 2.639 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330294033 475224909 /nfs/dbraw/zinc/22/49/09/475224909.db2.gz IFZBXQHUPRRSFS-KRWDZBQOSA-N 2 2 346.475 2.639 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331918383 475455497 /nfs/dbraw/zinc/45/54/97/475455497.db2.gz OACQYZHMEDSVJS-HOTGVXAUSA-N 2 2 333.436 2.515 20 30 EFEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000332671593 475708570 /nfs/dbraw/zinc/70/85/70/475708570.db2.gz ZUDVXPJAVILRFJ-UHFFFAOYSA-N 2 2 326.444 2.652 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000355306137 475814386 /nfs/dbraw/zinc/81/43/86/475814386.db2.gz IKLRCKGADYMROE-QZTJIDSGSA-N 2 2 348.535 2.722 20 30 EFEDLP CN(C(=O)CC(C)(C)C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000355306137 475814396 /nfs/dbraw/zinc/81/43/96/475814396.db2.gz IKLRCKGADYMROE-QZTJIDSGSA-N 2 2 348.535 2.722 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000362035709 475953798 /nfs/dbraw/zinc/95/37/98/475953798.db2.gz DQNPWPPSUYGWEA-VQTJNVASSA-N 2 2 325.456 2.680 20 30 EFEDLP CN(C)c1cccnc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353629119 476137754 /nfs/dbraw/zinc/13/77/54/476137754.db2.gz YHGMRKAQEQZZRV-UHFFFAOYSA-N 2 2 349.482 2.773 20 30 EFEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000299603676 476145697 /nfs/dbraw/zinc/14/56/97/476145697.db2.gz RBKPZDHNQNEALJ-UHFFFAOYSA-N 2 2 342.487 2.738 20 30 EFEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000299603676 476145699 /nfs/dbraw/zinc/14/56/99/476145699.db2.gz RBKPZDHNQNEALJ-UHFFFAOYSA-N 2 2 342.487 2.738 20 30 EFEDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC000301176377 476159572 /nfs/dbraw/zinc/15/95/72/476159572.db2.gz MJWJSDNHTHHEST-UHFFFAOYSA-N 2 2 333.867 2.577 20 30 EFEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000344241465 476174802 /nfs/dbraw/zinc/17/48/02/476174802.db2.gz VTULEUVZRRKYGL-QILLFSRXSA-N 2 2 330.451 2.596 20 30 EFEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000344241465 476174807 /nfs/dbraw/zinc/17/48/07/476174807.db2.gz VTULEUVZRRKYGL-QILLFSRXSA-N 2 2 330.451 2.596 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000368535996 476355619 /nfs/dbraw/zinc/35/56/19/476355619.db2.gz CEARBTCMPFICDB-CUDHKJQZSA-N 2 2 329.488 2.863 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000368535996 476355627 /nfs/dbraw/zinc/35/56/27/476355627.db2.gz CEARBTCMPFICDB-CUDHKJQZSA-N 2 2 329.488 2.863 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000365631100 476656357 /nfs/dbraw/zinc/65/63/57/476656357.db2.gz PRWGBGHGBLTHGI-CQSZACIVSA-N 2 2 343.456 2.561 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000365631100 476656360 /nfs/dbraw/zinc/65/63/60/476656360.db2.gz PRWGBGHGBLTHGI-CQSZACIVSA-N 2 2 343.456 2.561 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000378165908 476685221 /nfs/dbraw/zinc/68/52/21/476685221.db2.gz LLJGWDBTQMFRBT-RXVVDRJESA-N 2 2 343.515 2.516 20 30 EFEDLP C=C[C@H](C(=O)OC)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000383674933 476751885 /nfs/dbraw/zinc/75/18/85/476751885.db2.gz MXXSDJQELDHNBJ-GOSISDBHSA-N 2 2 328.456 2.702 20 30 EFEDLP C=C[C@H](C(=O)OC)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000383674933 476751890 /nfs/dbraw/zinc/75/18/90/476751890.db2.gz MXXSDJQELDHNBJ-GOSISDBHSA-N 2 2 328.456 2.702 20 30 EFEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578244 477075400 /nfs/dbraw/zinc/07/54/00/477075400.db2.gz UIAZDOGXTJOTHP-RBUKOAKNSA-N 3 2 326.488 2.652 20 30 EFEDLP Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366764109 477174135 /nfs/dbraw/zinc/17/41/35/477174135.db2.gz AQYVSCPFLUWONI-OAHLLOKOSA-N 2 2 347.894 2.520 20 30 EFEDLP Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366764109 477174143 /nfs/dbraw/zinc/17/41/43/477174143.db2.gz AQYVSCPFLUWONI-OAHLLOKOSA-N 2 2 347.894 2.520 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425172073 477658093 /nfs/dbraw/zinc/65/80/93/477658093.db2.gz XSZVNDMMIJXSSC-GOSISDBHSA-N 2 2 338.455 2.698 20 30 EFEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000372336702 477762075 /nfs/dbraw/zinc/76/20/75/477762075.db2.gz JCGULGCFYRWJRM-LJQANCHMSA-N 2 2 346.906 2.812 20 30 EFEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000372336702 477762082 /nfs/dbraw/zinc/76/20/82/477762082.db2.gz JCGULGCFYRWJRM-LJQANCHMSA-N 2 2 346.906 2.812 20 30 EFEDLP C=CCOCCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451025501 477794920 /nfs/dbraw/zinc/79/49/20/477794920.db2.gz JXSOKLHZMMZRJC-QGZVFWFLSA-N 2 2 331.460 2.728 20 30 EFEDLP C=CCOCCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451025501 477794923 /nfs/dbraw/zinc/79/49/23/477794923.db2.gz JXSOKLHZMMZRJC-QGZVFWFLSA-N 2 2 331.460 2.728 20 30 EFEDLP C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420007 477795212 /nfs/dbraw/zinc/79/52/12/477795212.db2.gz FRJGXOYTHUFOHW-QUCCMNQESA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372420007 477795215 /nfs/dbraw/zinc/79/52/15/477795215.db2.gz FRJGXOYTHUFOHW-QUCCMNQESA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438987445 477915308 /nfs/dbraw/zinc/91/53/08/477915308.db2.gz AUPIQGVUTVRLSJ-CQSZACIVSA-N 2 2 331.460 2.955 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440761737 478158111 /nfs/dbraw/zinc/15/81/11/478158111.db2.gz GVSQZUXKJPIVGN-ZWKOTPCHSA-N 2 2 341.455 2.758 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440761737 478158117 /nfs/dbraw/zinc/15/81/17/478158117.db2.gz GVSQZUXKJPIVGN-ZWKOTPCHSA-N 2 2 341.455 2.758 20 30 EFEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000490175197 478317743 /nfs/dbraw/zinc/31/77/43/478317743.db2.gz BOZBBEHCEBVYSJ-UHFFFAOYSA-N 2 2 330.451 2.692 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3CCC(C#N)CC3)c2cc1C ZINC000580064722 478353498 /nfs/dbraw/zinc/35/34/98/478353498.db2.gz RHVQTKGJMOSOHC-ABHNRTSZSA-N 2 2 340.471 2.934 20 30 EFEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000594498687 478411517 /nfs/dbraw/zinc/41/15/17/478411517.db2.gz SSWAQBOGZSNSMF-IBGZPJMESA-N 2 2 325.456 2.780 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3ccc(C#N)cc3)c2cc1C ZINC000594718864 478511038 /nfs/dbraw/zinc/51/10/38/478511038.db2.gz WOKFDTLPDOOVEG-IBGZPJMESA-N 2 2 348.450 2.718 20 30 EFEDLP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N ZINC000600775151 478515122 /nfs/dbraw/zinc/51/51/22/478515122.db2.gz LHUOBKSQLSCZKB-KBPBESRZSA-N 2 2 327.350 2.526 20 30 EFEDLP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C#N ZINC000600775151 478515126 /nfs/dbraw/zinc/51/51/26/478515126.db2.gz LHUOBKSQLSCZKB-KBPBESRZSA-N 2 2 327.350 2.526 20 30 EFEDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000591377410 478539154 /nfs/dbraw/zinc/53/91/54/478539154.db2.gz RUGWIQQEHQWANC-VAMGGRTRSA-N 2 2 340.471 2.557 20 30 EFEDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000591377410 478539160 /nfs/dbraw/zinc/53/91/60/478539160.db2.gz RUGWIQQEHQWANC-VAMGGRTRSA-N 2 2 340.471 2.557 20 30 EFEDLP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594988119 478618707 /nfs/dbraw/zinc/61/87/07/478618707.db2.gz YZGPUFHLTZYATG-UHFFFAOYSA-N 2 2 349.482 2.923 20 30 EFEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCC#N)c1ccc(OC)cc1 ZINC000564813486 478819229 /nfs/dbraw/zinc/81/92/29/478819229.db2.gz UHEYFGQLFXQLLX-HKUYNNGSSA-N 2 2 331.460 2.740 20 30 EFEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCC#N)c1ccc(OC)cc1 ZINC000564813486 478819235 /nfs/dbraw/zinc/81/92/35/478819235.db2.gz UHEYFGQLFXQLLX-HKUYNNGSSA-N 2 2 331.460 2.740 20 30 EFEDLP N#CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623610 478896174 /nfs/dbraw/zinc/89/61/74/478896174.db2.gz VJMFQDYRZRQWJL-VQTJNVASSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595623610 478896182 /nfs/dbraw/zinc/89/61/82/478896182.db2.gz VJMFQDYRZRQWJL-VQTJNVASSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623610 478896189 /nfs/dbraw/zinc/89/61/89/478896189.db2.gz VJMFQDYRZRQWJL-VQTJNVASSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CC[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000595623610 478896195 /nfs/dbraw/zinc/89/61/95/478896195.db2.gz VJMFQDYRZRQWJL-VQTJNVASSA-N 2 2 327.472 2.903 20 30 EFEDLP C=C(C)C[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000515177529 479128201 /nfs/dbraw/zinc/12/82/01/479128201.db2.gz IRZSSHKINYEEEW-DLBZAZTESA-N 2 2 344.503 2.976 20 30 EFEDLP N#CCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551702826 479148395 /nfs/dbraw/zinc/14/83/95/479148395.db2.gz GHUVJYADMYYXDR-FQEVSTJZSA-N 2 2 327.472 2.903 20 30 EFEDLP N#CCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551702826 479148402 /nfs/dbraw/zinc/14/84/02/479148402.db2.gz GHUVJYADMYYXDR-FQEVSTJZSA-N 2 2 327.472 2.903 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000584537699 479169381 /nfs/dbraw/zinc/16/93/81/479169381.db2.gz QUQSFSATVMABGI-AWEZNQCLSA-N 2 2 332.354 2.883 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000584537699 479169389 /nfs/dbraw/zinc/16/93/89/479169389.db2.gz QUQSFSATVMABGI-AWEZNQCLSA-N 2 2 332.354 2.883 20 30 EFEDLP CC1(C)C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000611182944 479305334 /nfs/dbraw/zinc/30/53/34/479305334.db2.gz DCKKYGJKLZVYKO-IBGZPJMESA-N 2 2 326.488 2.617 20 30 EFEDLP CC1(C)C[C@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000611182944 479305341 /nfs/dbraw/zinc/30/53/41/479305341.db2.gz DCKKYGJKLZVYKO-IBGZPJMESA-N 2 2 326.488 2.617 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000602552760 479394759 /nfs/dbraw/zinc/39/47/59/479394759.db2.gz XKCWERGUUQFBOB-QGZVFWFLSA-N 2 2 341.499 2.774 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691888 479425273 /nfs/dbraw/zinc/42/52/73/479425273.db2.gz TUYDMHZESSTDQM-NHCUHLMSSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691888 479425276 /nfs/dbraw/zinc/42/52/76/479425276.db2.gz TUYDMHZESSTDQM-NHCUHLMSSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691887 479425580 /nfs/dbraw/zinc/42/55/80/479425580.db2.gz TUYDMHZESSTDQM-LEWJYISDSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691887 479425584 /nfs/dbraw/zinc/42/55/84/479425584.db2.gz TUYDMHZESSTDQM-LEWJYISDSA-N 3 2 338.499 2.739 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000593695291 479426216 /nfs/dbraw/zinc/42/62/16/479426216.db2.gz JQXXUFBCXQZYRE-UHFFFAOYSA-N 3 2 338.499 2.739 20 30 EFEDLP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701597 479428557 /nfs/dbraw/zinc/42/85/57/479428557.db2.gz GQOLCUQFTXHEOD-KRWDZBQOSA-N 2 2 337.471 2.788 20 30 EFEDLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593723693 479434911 /nfs/dbraw/zinc/43/49/11/479434911.db2.gz XYZSUKHWICKTEL-INIZCTEOSA-N 2 2 335.455 2.972 20 30 EFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1nccn1C ZINC000593722878 479435214 /nfs/dbraw/zinc/43/52/14/479435214.db2.gz SQFMMEXCCHZWEO-IBGZPJMESA-N 2 2 337.471 2.997 20 30 EFEDLP Cn1cc[nH+]c1[C@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000602658126 479452670 /nfs/dbraw/zinc/45/26/70/479452670.db2.gz AXPPEFBPCVMTKI-IBGZPJMESA-N 2 2 337.471 2.807 20 30 EFEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(C#N)CCC2)CC1 ZINC000600165635 479555647 /nfs/dbraw/zinc/55/56/47/479555647.db2.gz SORFOUOATPQNRG-UHFFFAOYSA-N 2 2 332.879 2.875 20 30 EFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000589735975 479563353 /nfs/dbraw/zinc/56/33/53/479563353.db2.gz XNTHVPJWVVALPY-LJQANCHMSA-N 2 2 341.455 2.553 20 30 EFEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000577056831 479587735 /nfs/dbraw/zinc/58/77/35/479587735.db2.gz WTVQCGNCYCBXFP-GOSISDBHSA-N 2 2 349.438 2.644 20 30 EFEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000577056831 479587742 /nfs/dbraw/zinc/58/77/42/479587742.db2.gz WTVQCGNCYCBXFP-GOSISDBHSA-N 2 2 349.438 2.644 20 30 EFEDLP C=CCOc1c(Cl)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000628253375 479831140 /nfs/dbraw/zinc/83/11/40/479831140.db2.gz FZHOFCWWARCZEQ-GASCZTMLSA-N 2 2 336.863 2.907 20 30 EFEDLP C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000628253375 479831148 /nfs/dbraw/zinc/83/11/48/479831148.db2.gz FZHOFCWWARCZEQ-GASCZTMLSA-N 2 2 336.863 2.907 20 30 EFEDLP C=CCOc1c(Cl)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC ZINC000628253375 479831154 /nfs/dbraw/zinc/83/11/54/479831154.db2.gz FZHOFCWWARCZEQ-GASCZTMLSA-N 2 2 336.863 2.907 20 30 EFEDLP C=CCOc1c(Cl)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC ZINC000628253375 479831160 /nfs/dbraw/zinc/83/11/60/479831160.db2.gz FZHOFCWWARCZEQ-GASCZTMLSA-N 2 2 336.863 2.907 20 30 EFEDLP C=CCC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000641784710 481073901 /nfs/dbraw/zinc/07/39/01/481073901.db2.gz FAPDJWVVQBBPGZ-MOPGFXCFSA-N 2 2 347.503 2.673 20 30 EFEDLP C=CCN1CC[C@@H]([NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)C1=O ZINC000660857322 482183016 /nfs/dbraw/zinc/18/30/16/482183016.db2.gz LDYHZWDRRNLEQU-GOSISDBHSA-N 2 2 338.455 2.604 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351186 482185344 /nfs/dbraw/zinc/18/53/44/482185344.db2.gz LBTOQKDRYZEKMX-KXBFYZLASA-N 2 2 345.512 2.964 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351186 482185351 /nfs/dbraw/zinc/18/53/51/482185351.db2.gz LBTOQKDRYZEKMX-KXBFYZLASA-N 2 2 345.512 2.964 20 30 EFEDLP C=CCOc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1Cl ZINC000668793667 482268155 /nfs/dbraw/zinc/26/81/55/482268155.db2.gz JVAKITBSQADQNZ-UHFFFAOYSA-N 2 2 346.862 2.961 20 30 EFEDLP C=CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239016 482386971 /nfs/dbraw/zinc/38/69/71/482386971.db2.gz BUVQQFPSVZIIBH-AZUAARDMSA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239016 482386976 /nfs/dbraw/zinc/38/69/76/482386976.db2.gz BUVQQFPSVZIIBH-AZUAARDMSA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)COC ZINC000661239016 482386985 /nfs/dbraw/zinc/38/69/85/482386985.db2.gz BUVQQFPSVZIIBH-AZUAARDMSA-N 2 2 332.488 2.800 20 30 EFEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]2CCO[C@H]21 ZINC000245971124 520663316 /nfs/dbraw/zinc/66/33/16/520663316.db2.gz ZSGJYQPFKSKGQF-XUVXKRRUSA-N 2 2 339.483 2.926 20 30 EFEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158516 522936823 /nfs/dbraw/zinc/93/68/23/522936823.db2.gz NGLZRWRELUMLRZ-HZPDHXFCSA-N 2 2 346.500 2.531 20 30 EFEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158516 522936833 /nfs/dbraw/zinc/93/68/33/522936833.db2.gz NGLZRWRELUMLRZ-HZPDHXFCSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158516 522936844 /nfs/dbraw/zinc/93/68/44/522936844.db2.gz NGLZRWRELUMLRZ-HZPDHXFCSA-N 2 2 346.500 2.531 20 30 EFEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177158516 522936855 /nfs/dbraw/zinc/93/68/55/522936855.db2.gz NGLZRWRELUMLRZ-HZPDHXFCSA-N 2 2 346.500 2.531 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092666117 524399371 /nfs/dbraw/zinc/39/93/71/524399371.db2.gz FBZVUTARWLZFRF-HOTGVXAUSA-N 2 2 332.517 2.610 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000153966571 524576429 /nfs/dbraw/zinc/57/64/29/524576429.db2.gz UEOBJGURRWUHBL-QZTJIDSGSA-N 2 2 326.488 2.549 20 30 EFEDLP C=CC[N@@H+](CC[NH2+]C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414739888 534833033 /nfs/dbraw/zinc/83/30/33/534833033.db2.gz KRQYFWGZNFQFOH-OAHLLOKOSA-N 2 2 328.464 2.599 20 30 EFEDLP C=CC[N@H+](CC[NH2+]C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414739888 534833035 /nfs/dbraw/zinc/83/30/35/534833035.db2.gz KRQYFWGZNFQFOH-OAHLLOKOSA-N 2 2 328.464 2.599 20 30 EFEDLP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181694832 534849258 /nfs/dbraw/zinc/84/92/58/534849258.db2.gz KXOCFSHHJOIQEM-HNNXBMFYSA-N 2 2 337.471 2.915 20 30 EFEDLP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159964627 526389489 /nfs/dbraw/zinc/38/94/89/526389489.db2.gz COELZODWQAHAHY-SWLSCSKDSA-N 2 2 346.504 2.615 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000177908788 526453322 /nfs/dbraw/zinc/45/33/22/526453322.db2.gz SGQCIARQQUDBAQ-ZDUSSCGKSA-N 2 2 340.464 2.530 20 30 EFEDLP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557785 528262708 /nfs/dbraw/zinc/26/27/08/528262708.db2.gz GUPVJUSAYTWZAZ-HXUWFJFHSA-N 3 2 340.515 2.844 20 30 EFEDLP CCC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557785 528262711 /nfs/dbraw/zinc/26/27/11/528262711.db2.gz GUPVJUSAYTWZAZ-HXUWFJFHSA-N 3 2 340.515 2.844 20 30 EFEDLP CC[NH+]=C(NCC(C)(C)SC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160037815 528802361 /nfs/dbraw/zinc/80/23/61/528802361.db2.gz PKONFKWUYQWPRC-GJZGRUSLSA-N 2 2 337.537 2.873 20 30 EFEDLP CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)CCC#N ZINC000414089624 535143328 /nfs/dbraw/zinc/14/33/28/535143328.db2.gz CELUROSYEBFLHB-INIZCTEOSA-N 2 2 328.460 2.975 20 30 EFEDLP CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000414089624 535143332 /nfs/dbraw/zinc/14/33/32/535143332.db2.gz CELUROSYEBFLHB-INIZCTEOSA-N 2 2 328.460 2.975 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+]CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000328638981 535160844 /nfs/dbraw/zinc/16/08/44/535160844.db2.gz BVRDEPRCSNXMHU-KRWDZBQOSA-N 2 2 331.460 2.929 20 30 EFEDLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329580002 535254920 /nfs/dbraw/zinc/25/49/20/535254920.db2.gz UMBGHYZBHVACQY-LBPRGKRZSA-N 2 2 345.472 2.957 20 30 EFEDLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000329580002 535254927 /nfs/dbraw/zinc/25/49/27/535254927.db2.gz UMBGHYZBHVACQY-LBPRGKRZSA-N 2 2 345.472 2.957 20 30 EFEDLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000329405897 535255280 /nfs/dbraw/zinc/25/52/80/535255280.db2.gz BXVHDVOOYRWONK-GFCCVEGCSA-N 2 2 345.472 2.957 20 30 EFEDLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000329405897 535255284 /nfs/dbraw/zinc/25/52/84/535255284.db2.gz BXVHDVOOYRWONK-GFCCVEGCSA-N 2 2 345.472 2.957 20 30 EFEDLP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000344106931 536826661 /nfs/dbraw/zinc/82/66/61/536826661.db2.gz QUPNGTSXYPUAMO-OALUTQOASA-N 2 2 327.472 2.926 20 30 EFEDLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329809051 545840665 /nfs/dbraw/zinc/84/06/65/545840665.db2.gz BZFZLJIZGZANAQ-OAHLLOKOSA-N 2 2 333.480 2.513 20 30 EFEDLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329809051 545840669 /nfs/dbraw/zinc/84/06/69/545840669.db2.gz BZFZLJIZGZANAQ-OAHLLOKOSA-N 2 2 333.480 2.513 20 30 EFEDLP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000341929383 545942794 /nfs/dbraw/zinc/94/27/94/545942794.db2.gz KJABEGUQOITUOJ-BWPNAZKDSA-N 2 2 332.488 2.754 20 30 EFEDLP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000341929383 545942801 /nfs/dbraw/zinc/94/28/01/545942801.db2.gz KJABEGUQOITUOJ-BWPNAZKDSA-N 2 2 332.488 2.754 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389235 547141009 /nfs/dbraw/zinc/14/10/09/547141009.db2.gz TWLSJFOTZSXBSV-PKOBYXMFSA-N 2 2 339.487 2.997 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389235 547141012 /nfs/dbraw/zinc/14/10/12/547141012.db2.gz TWLSJFOTZSXBSV-PKOBYXMFSA-N 2 2 339.487 2.997 20 30 EFEDLP CCN(CC)c1ccc(C=[NH+]NC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1F ZINC000753937213 575362895 /nfs/dbraw/zinc/36/28/95/575362895.db2.gz WXBFLBFNXYVECZ-HOTGVXAUSA-N 2 2 331.439 2.866 20 30 EFEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@@H+]1Cc1ccccc1 ZINC000761857419 576221093 /nfs/dbraw/zinc/22/10/93/576221093.db2.gz JFLRUKOKPOMVEC-HNNXBMFYSA-N 2 2 347.426 2.725 20 30 EFEDLP C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[N@H+]1Cc1ccccc1 ZINC000761857419 576221098 /nfs/dbraw/zinc/22/10/98/576221098.db2.gz JFLRUKOKPOMVEC-HNNXBMFYSA-N 2 2 347.426 2.725 20 30 EFEDLP COc1ccc(CCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000767936388 577243623 /nfs/dbraw/zinc/24/36/23/577243623.db2.gz QHQWSHQBDGEBEL-UHFFFAOYSA-N 2 2 327.428 2.636 20 30 EFEDLP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001272680409 1252206086 /nfs/dbraw/zinc/20/60/86/1252206086.db2.gz VKTBSCFIXJYJCG-QGZVFWFLSA-N 2 2 338.455 2.857 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484341887 1252428546 /nfs/dbraw/zinc/42/85/46/1252428546.db2.gz DIFUSKPAWRKPEE-STQMWFEESA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996092731 1255000931 /nfs/dbraw/zinc/00/09/31/1255000931.db2.gz NLVXBJPXCPMBKE-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997183117 1257216609 /nfs/dbraw/zinc/21/66/09/1257216609.db2.gz BYMGAZMBXWRWCI-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997298952 1257369708 /nfs/dbraw/zinc/36/97/08/1257369708.db2.gz TYFBIZZXHZNNIC-GDBMZVCRSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032430971 1257433383 /nfs/dbraw/zinc/43/33/83/1257433383.db2.gz LALIEQUIMCXHQO-HOTGVXAUSA-N 2 2 333.501 2.675 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000444800145 1258060752 /nfs/dbraw/zinc/06/07/52/1258060752.db2.gz UDWYFRMPPYNTSV-MRXNPFEDSA-N 2 2 348.410 2.721 20 30 EFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000444800145 1258060765 /nfs/dbraw/zinc/06/07/65/1258060765.db2.gz UDWYFRMPPYNTSV-MRXNPFEDSA-N 2 2 348.410 2.721 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997647795 1258165484 /nfs/dbraw/zinc/16/54/84/1258165484.db2.gz BYMGAZMBXWRWCI-FUHWJXTLSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998047574 1259023415 /nfs/dbraw/zinc/02/34/15/1259023415.db2.gz QPZDAGCFHVLORK-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998047574 1259023423 /nfs/dbraw/zinc/02/34/23/1259023423.db2.gz QPZDAGCFHVLORK-MSOLQXFVSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051900 1259034775 /nfs/dbraw/zinc/03/47/75/1259034775.db2.gz NQVDBOOYOHFKHV-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051900 1259034784 /nfs/dbraw/zinc/03/47/84/1259034784.db2.gz NQVDBOOYOHFKHV-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052865 1259035939 /nfs/dbraw/zinc/03/59/39/1259035939.db2.gz QOKZIOJTXGFQMA-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998052865 1259035945 /nfs/dbraw/zinc/03/59/45/1259035945.db2.gz QOKZIOJTXGFQMA-QZTJIDSGSA-N 2 2 344.503 2.725 20 30 EFEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119075 1259129903 /nfs/dbraw/zinc/12/99/03/1259129903.db2.gz ZERNVXCXNNAMEA-IRXDYDNUSA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119075 1259129905 /nfs/dbraw/zinc/12/99/05/1259129905.db2.gz ZERNVXCXNNAMEA-IRXDYDNUSA-N 2 2 342.487 2.556 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126307 1259138788 /nfs/dbraw/zinc/13/87/88/1259138788.db2.gz NUGVYHXXBBFJBT-KZNAEPCWSA-N 2 2 344.503 2.803 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126307 1259138792 /nfs/dbraw/zinc/13/87/92/1259138792.db2.gz NUGVYHXXBBFJBT-KZNAEPCWSA-N 2 2 344.503 2.803 20 30 EFEDLP C=CCC[NH+]1CCC(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001006146261 1261903605 /nfs/dbraw/zinc/90/36/05/1261903605.db2.gz ODGXYMIQNCYZGB-UHFFFAOYSA-N 2 2 340.471 2.684 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001078626029 1262073521 /nfs/dbraw/zinc/07/35/21/1262073521.db2.gz KCYYXQIQCXJWPE-SJORKVTESA-N 2 2 338.455 2.849 20 30 EFEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001078626028 1262073815 /nfs/dbraw/zinc/07/38/15/1262073815.db2.gz KCYYXQIQCXJWPE-IRXDYDNUSA-N 2 2 338.455 2.849 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078661734 1262116947 /nfs/dbraw/zinc/11/69/47/1262116947.db2.gz WQQGGSSFSCPNOH-HOTGVXAUSA-N 2 2 344.846 2.946 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405399 1263914906 /nfs/dbraw/zinc/91/49/06/1263914906.db2.gz LMVHFXUBJVJDAS-IXDOHACOSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405399 1263914912 /nfs/dbraw/zinc/91/49/12/1263914912.db2.gz LMVHFXUBJVJDAS-IXDOHACOSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405399 1263914915 /nfs/dbraw/zinc/91/49/15/1263914915.db2.gz LMVHFXUBJVJDAS-IXDOHACOSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405399 1263914921 /nfs/dbraw/zinc/91/49/21/1263914921.db2.gz LMVHFXUBJVJDAS-IXDOHACOSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001085271730 1266996122 /nfs/dbraw/zinc/99/61/22/1266996122.db2.gz UKOJXYMZLWFVPR-ZIAGYGMSSA-N 2 2 332.835 2.717 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004501498 1267187765 /nfs/dbraw/zinc/18/77/65/1267187765.db2.gz RYDCXLXFRGXICM-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004501498 1267187768 /nfs/dbraw/zinc/18/77/68/1267187768.db2.gz RYDCXLXFRGXICM-SFHVURJKSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146804 1267355152 /nfs/dbraw/zinc/35/51/52/1267355152.db2.gz QODGVNJEBZYQNX-DLBZAZTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033146804 1267355164 /nfs/dbraw/zinc/35/51/64/1267355164.db2.gz QODGVNJEBZYQNX-DLBZAZTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033146804 1267355175 /nfs/dbraw/zinc/35/51/75/1267355175.db2.gz QODGVNJEBZYQNX-DLBZAZTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033146804 1267355187 /nfs/dbraw/zinc/35/51/87/1267355187.db2.gz QODGVNJEBZYQNX-DLBZAZTESA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598275 1267370735 /nfs/dbraw/zinc/37/07/35/1267370735.db2.gz VZXBQIFDBYSXBB-KRWDZBQOSA-N 2 2 344.503 2.966 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598275 1267370748 /nfs/dbraw/zinc/37/07/48/1267370748.db2.gz VZXBQIFDBYSXBB-KRWDZBQOSA-N 2 2 344.503 2.966 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638664 1267432593 /nfs/dbraw/zinc/43/25/93/1267432593.db2.gz XECXIESKJKTDCM-HDICACEKSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]2C1 ZINC000946638664 1267432598 /nfs/dbraw/zinc/43/25/98/1267432598.db2.gz XECXIESKJKTDCM-HDICACEKSA-N 2 2 344.503 2.673 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642470 1267448983 /nfs/dbraw/zinc/44/89/83/1267448983.db2.gz LDZYCBIECFPIKB-IYBDPMFKSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642470 1267448985 /nfs/dbraw/zinc/44/89/85/1267448985.db2.gz LDZYCBIECFPIKB-IYBDPMFKSA-N 2 2 338.455 2.923 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803806 1268740603 /nfs/dbraw/zinc/74/06/03/1268740603.db2.gz WPBCRXHIVWFNFL-QRVBRYPASA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803806 1268740606 /nfs/dbraw/zinc/74/06/06/1268740606.db2.gz WPBCRXHIVWFNFL-QRVBRYPASA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472824 1269259473 /nfs/dbraw/zinc/25/94/73/1269259473.db2.gz BZJKUGLRPUQLRA-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472824 1269259477 /nfs/dbraw/zinc/25/94/77/1269259477.db2.gz BZJKUGLRPUQLRA-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472824 1269259481 /nfs/dbraw/zinc/25/94/81/1269259481.db2.gz BZJKUGLRPUQLRA-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472824 1269259486 /nfs/dbraw/zinc/25/94/86/1269259486.db2.gz BZJKUGLRPUQLRA-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573740 1269474444 /nfs/dbraw/zinc/47/44/44/1269474444.db2.gz JEDOCFCMRNUNED-IAGOWNOFSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573740 1269474450 /nfs/dbraw/zinc/47/44/50/1269474450.db2.gz JEDOCFCMRNUNED-IAGOWNOFSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573740 1269474458 /nfs/dbraw/zinc/47/44/58/1269474458.db2.gz JEDOCFCMRNUNED-IAGOWNOFSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573740 1269474462 /nfs/dbraw/zinc/47/44/62/1269474462.db2.gz JEDOCFCMRNUNED-IAGOWNOFSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685112 1269794015 /nfs/dbraw/zinc/79/40/15/1269794015.db2.gz KSRMTIMXSVJKLF-MRXNPFEDSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685112 1269794029 /nfs/dbraw/zinc/79/40/29/1269794029.db2.gz KSRMTIMXSVJKLF-MRXNPFEDSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685190 1269797177 /nfs/dbraw/zinc/79/71/77/1269797177.db2.gz OOGGRLWEBKSPKK-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685190 1269797186 /nfs/dbraw/zinc/79/71/86/1269797186.db2.gz OOGGRLWEBKSPKK-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001033685190 1269797195 /nfs/dbraw/zinc/79/71/95/1269797195.db2.gz OOGGRLWEBKSPKK-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001033685190 1269797205 /nfs/dbraw/zinc/79/72/05/1269797205.db2.gz OOGGRLWEBKSPKK-KRWDZBQOSA-N 2 2 347.528 2.605 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004518 1270857260 /nfs/dbraw/zinc/85/72/60/1270857260.db2.gz OAXBWQIUIPVLRT-QGZVFWFLSA-N 2 2 341.927 2.782 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004518 1270857264 /nfs/dbraw/zinc/85/72/64/1270857264.db2.gz OAXBWQIUIPVLRT-QGZVFWFLSA-N 2 2 341.927 2.782 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034249605 1271424436 /nfs/dbraw/zinc/42/44/36/1271424436.db2.gz LSPCUTGCUPPEHY-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034249605 1271424440 /nfs/dbraw/zinc/42/44/40/1271424440.db2.gz LSPCUTGCUPPEHY-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034249605 1271424443 /nfs/dbraw/zinc/42/44/43/1271424443.db2.gz LSPCUTGCUPPEHY-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034249605 1271424447 /nfs/dbraw/zinc/42/44/47/1271424447.db2.gz LSPCUTGCUPPEHY-UXHICEINSA-N 2 2 343.515 2.555 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034239409 1271439109 /nfs/dbraw/zinc/43/91/09/1271439109.db2.gz KJJSIXZAAQFBQY-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034239409 1271439117 /nfs/dbraw/zinc/43/91/17/1271439117.db2.gz KJJSIXZAAQFBQY-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034239409 1271439124 /nfs/dbraw/zinc/43/91/24/1271439124.db2.gz KJJSIXZAAQFBQY-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034239409 1271439131 /nfs/dbraw/zinc/43/91/31/1271439131.db2.gz KJJSIXZAAQFBQY-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034250882 1271441511 /nfs/dbraw/zinc/44/15/11/1271441511.db2.gz YDSPWERVEZRSQV-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034250882 1271441518 /nfs/dbraw/zinc/44/15/18/1271441518.db2.gz YDSPWERVEZRSQV-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034250882 1271441522 /nfs/dbraw/zinc/44/15/22/1271441522.db2.gz YDSPWERVEZRSQV-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034250882 1271441529 /nfs/dbraw/zinc/44/15/29/1271441529.db2.gz YDSPWERVEZRSQV-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284522 1271561786 /nfs/dbraw/zinc/56/17/86/1271561786.db2.gz LMCVROYECIMXAL-OAHLLOKOSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284522 1271561787 /nfs/dbraw/zinc/56/17/87/1271561787.db2.gz LMCVROYECIMXAL-OAHLLOKOSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390604 1271865599 /nfs/dbraw/zinc/86/55/99/1271865599.db2.gz DWRPNYISKHNKOJ-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390604 1271865618 /nfs/dbraw/zinc/86/56/18/1271865618.db2.gz DWRPNYISKHNKOJ-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034537379 1272238207 /nfs/dbraw/zinc/23/82/07/1272238207.db2.gz AXJVDEJADNHFTL-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034537379 1272238216 /nfs/dbraw/zinc/23/82/16/1272238216.db2.gz AXJVDEJADNHFTL-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537379 1272238220 /nfs/dbraw/zinc/23/82/20/1272238220.db2.gz AXJVDEJADNHFTL-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034537379 1272238227 /nfs/dbraw/zinc/23/82/27/1272238227.db2.gz AXJVDEJADNHFTL-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005609189 1272578720 /nfs/dbraw/zinc/57/87/20/1272578720.db2.gz ARGCCLXLRISXAZ-MRXNPFEDSA-N 2 2 344.503 2.712 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005609189 1272578730 /nfs/dbraw/zinc/57/87/30/1272578730.db2.gz ARGCCLXLRISXAZ-MRXNPFEDSA-N 2 2 344.503 2.712 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108769606 1273458264 /nfs/dbraw/zinc/45/82/64/1273458264.db2.gz XKYXVKUVHIZUDD-BQFCYCMXSA-N 2 2 332.492 2.892 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108808359 1273509240 /nfs/dbraw/zinc/50/92/40/1273509240.db2.gz PBWAKSRBMYCILZ-BZSNNMDCSA-N 2 2 344.503 2.976 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]ccc1OC)CC2 ZINC001035197832 1273762580 /nfs/dbraw/zinc/76/25/80/1273762580.db2.gz VZLRDSUPYPXIFT-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]ccc1OC)CC2 ZINC001035197832 1273762588 /nfs/dbraw/zinc/76/25/88/1273762588.db2.gz VZLRDSUPYPXIFT-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035207554 1273792043 /nfs/dbraw/zinc/79/20/43/1273792043.db2.gz VQMBKSAKAORRFM-UHFFFAOYSA-N 2 2 339.483 2.958 20 30 EFEDLP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035207554 1273792054 /nfs/dbraw/zinc/79/20/54/1273792054.db2.gz VQMBKSAKAORRFM-UHFFFAOYSA-N 2 2 339.483 2.958 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433305 1274269934 /nfs/dbraw/zinc/26/99/34/1274269934.db2.gz INYQYIPRPGUPDA-VSZNYVQBSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035767721 1274454779 /nfs/dbraw/zinc/45/47/79/1274454779.db2.gz VMFYPFHXJGIIKV-UHFFFAOYSA-N 2 2 339.911 2.538 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035859207 1274614039 /nfs/dbraw/zinc/61/40/39/1274614039.db2.gz SFOBZNSGJHSIRR-HZPDHXFCSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC001005894753 1276682475 /nfs/dbraw/zinc/68/24/75/1276682475.db2.gz ZUICGHYUSIKBJL-UHFFFAOYSA-N 2 2 339.867 2.630 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001171211587 1280022709 /nfs/dbraw/zinc/02/27/09/1280022709.db2.gz FKDCPQGGLQVQOI-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001171211587 1280022716 /nfs/dbraw/zinc/02/27/16/1280022716.db2.gz FKDCPQGGLQVQOI-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001171211587 1280022722 /nfs/dbraw/zinc/02/27/22/1280022722.db2.gz FKDCPQGGLQVQOI-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001171211587 1280022730 /nfs/dbraw/zinc/02/27/30/1280022730.db2.gz FKDCPQGGLQVQOI-BULFRSBZSA-N 2 2 346.478 2.948 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115306 1280233896 /nfs/dbraw/zinc/23/38/96/1280233896.db2.gz SBEQIPMMVYPTJJ-IKGGRYGDSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115306 1280233903 /nfs/dbraw/zinc/23/39/03/1280233903.db2.gz SBEQIPMMVYPTJJ-IKGGRYGDSA-N 2 2 339.911 2.727 20 30 EFEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170783290 1287456847 /nfs/dbraw/zinc/45/68/47/1287456847.db2.gz FBGLIKKLOUQZBE-HNNXBMFYSA-N 2 2 326.444 2.544 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146562868 1280943626 /nfs/dbraw/zinc/94/36/26/1280943626.db2.gz RGQLCNJJCAUDPG-JKSUJKDBSA-N 2 2 349.544 2.945 20 30 EFEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146562868 1280943632 /nfs/dbraw/zinc/94/36/32/1280943632.db2.gz RGQLCNJJCAUDPG-JKSUJKDBSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001147780789 1281281946 /nfs/dbraw/zinc/28/19/46/1281281946.db2.gz UHIACLREODHWKY-INIZCTEOSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001147780789 1281281959 /nfs/dbraw/zinc/28/19/59/1281281959.db2.gz UHIACLREODHWKY-INIZCTEOSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043093 1287511095 /nfs/dbraw/zinc/51/10/95/1287511095.db2.gz GSLBLNKUCGZFSM-GOEBONIOSA-N 2 2 333.476 2.696 20 30 EFEDLP NC(=[NH+]OCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000808264220 1281633046 /nfs/dbraw/zinc/63/30/46/1281633046.db2.gz TTWNBBORFDZBHT-UHFFFAOYSA-N 2 2 340.265 2.962 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900074 1281799313 /nfs/dbraw/zinc/79/93/13/1281799313.db2.gz QMCHGNWWAHIMHI-KRWDZBQOSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900074 1281799322 /nfs/dbraw/zinc/79/93/22/1281799322.db2.gz QMCHGNWWAHIMHI-KRWDZBQOSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935060 1281954614 /nfs/dbraw/zinc/95/46/14/1281954614.db2.gz IALGWAGIRPQZOR-KRWDZBQOSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717483 1283222247 /nfs/dbraw/zinc/22/22/47/1283222247.db2.gz WNHXVBOAEGVWGV-MSOLQXFVSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717483 1283222253 /nfs/dbraw/zinc/22/22/53/1283222253.db2.gz WNHXVBOAEGVWGV-MSOLQXFVSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717583 1283222702 /nfs/dbraw/zinc/22/27/02/1283222702.db2.gz YBUAGRUFEXFSGC-MSOLQXFVSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036717583 1283222707 /nfs/dbraw/zinc/22/27/07/1283222707.db2.gz YBUAGRUFEXFSGC-MSOLQXFVSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132355433 1283380596 /nfs/dbraw/zinc/38/05/96/1283380596.db2.gz ZLQRGGFEQSPGQC-HOCLYGCPSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132355433 1283380601 /nfs/dbraw/zinc/38/06/01/1283380601.db2.gz ZLQRGGFEQSPGQC-HOCLYGCPSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748998 1283397295 /nfs/dbraw/zinc/39/72/95/1283397295.db2.gz PDBGGFFWIOBGIS-ZWKOTPCHSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748998 1283397300 /nfs/dbraw/zinc/39/73/00/1283397300.db2.gz PDBGGFFWIOBGIS-ZWKOTPCHSA-N 2 2 344.503 2.816 20 30 EFEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993161 1287639041 /nfs/dbraw/zinc/63/90/41/1287639041.db2.gz KAPQUAITNHIVQD-MRXNPFEDSA-N 2 2 326.444 2.937 20 30 EFEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993159 1287639319 /nfs/dbraw/zinc/63/93/19/1287639319.db2.gz KAPQUAITNHIVQD-INIZCTEOSA-N 2 2 326.444 2.937 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494962 1283765666 /nfs/dbraw/zinc/76/56/66/1283765666.db2.gz ZKPKRTJJKAMMBP-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494962 1283765670 /nfs/dbraw/zinc/76/56/70/1283765670.db2.gz ZKPKRTJJKAMMBP-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494965 1283766288 /nfs/dbraw/zinc/76/62/88/1283766288.db2.gz ZKPKRTJJKAMMBP-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494965 1283766296 /nfs/dbraw/zinc/76/62/96/1283766296.db2.gz ZKPKRTJJKAMMBP-SJORKVTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519065 1283778789 /nfs/dbraw/zinc/77/87/89/1283778789.db2.gz SDPGPAMZTKBGMQ-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519065 1283778795 /nfs/dbraw/zinc/77/87/95/1283778795.db2.gz SDPGPAMZTKBGMQ-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519066 1283778952 /nfs/dbraw/zinc/77/89/52/1283778952.db2.gz SDPGPAMZTKBGMQ-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519066 1283778964 /nfs/dbraw/zinc/77/89/64/1283778964.db2.gz SDPGPAMZTKBGMQ-HZPDHXFCSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001093368326 1283797033 /nfs/dbraw/zinc/79/70/33/1283797033.db2.gz XCHRRGJSAWBIAZ-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001093368326 1283797041 /nfs/dbraw/zinc/79/70/41/1283797041.db2.gz XCHRRGJSAWBIAZ-LJQANCHMSA-N 2 2 342.487 2.621 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671682 /nfs/dbraw/zinc/67/16/82/1287671682.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671689 /nfs/dbraw/zinc/67/16/89/1287671689.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671696 /nfs/dbraw/zinc/67/16/96/1287671696.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 3 2 339.527 2.832 20 30 EFEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671702 /nfs/dbraw/zinc/67/17/02/1287671702.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 3 2 339.527 2.832 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548840 1283909870 /nfs/dbraw/zinc/90/98/70/1283909870.db2.gz KHWKQFJZEZYFRY-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548840 1283909876 /nfs/dbraw/zinc/90/98/76/1283909876.db2.gz KHWKQFJZEZYFRY-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171409987 1283975922 /nfs/dbraw/zinc/97/59/22/1283975922.db2.gz QOHVLUKWXADGDP-ZWKOTPCHSA-N 2 2 332.492 2.758 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001086696239 1284459294 /nfs/dbraw/zinc/45/92/94/1284459294.db2.gz ARSCSSYDFPFBHS-DOTOQJQBSA-N 2 2 326.444 2.707 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919313 1284466642 /nfs/dbraw/zinc/46/66/42/1284466642.db2.gz IFVIOHJARCDEKR-SJLPKXTDSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919202 1284466930 /nfs/dbraw/zinc/46/69/30/1284466930.db2.gz FVKILAVLVYMGHS-WBVHZDCISA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132982557 1284567961 /nfs/dbraw/zinc/56/79/61/1284567961.db2.gz SUAIEAYHRLLXOH-IRXDYDNUSA-N 2 2 340.471 2.988 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132982172 1284568785 /nfs/dbraw/zinc/56/87/85/1284568785.db2.gz MIJXKKDNSMVAIE-HOTGVXAUSA-N 2 2 326.444 2.598 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194824 1284972167 /nfs/dbraw/zinc/97/21/67/1284972167.db2.gz LODKKSHBGQYPGD-SJORKVTESA-N 2 2 332.492 2.773 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133242064 1285037176 /nfs/dbraw/zinc/03/71/76/1285037176.db2.gz NDNHTZJEHQGXFJ-GXTWGEPZSA-N 2 2 338.883 2.514 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133242067 1285037980 /nfs/dbraw/zinc/03/79/80/1285037980.db2.gz NDNHTZJEHQGXFJ-OCCSQVGLSA-N 2 2 338.883 2.514 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133246284 1285047584 /nfs/dbraw/zinc/04/75/84/1285047584.db2.gz TVBNOGKWSKFYIU-HZPDHXFCSA-N 2 2 332.492 2.728 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133246283 1285048250 /nfs/dbraw/zinc/04/82/50/1285048250.db2.gz TVBNOGKWSKFYIU-HOTGVXAUSA-N 2 2 332.492 2.728 20 30 EFEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCn1cc[nH+]c1 ZINC001133401355 1285364167 /nfs/dbraw/zinc/36/41/67/1285364167.db2.gz BGKCRYIHJDUGRL-UHFFFAOYSA-N 2 2 346.862 2.731 20 30 EFEDLP C[C@H](CCCC#N)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001172496398 1286170605 /nfs/dbraw/zinc/17/06/05/1286170605.db2.gz ZWLQIKWIYGEWPW-SJORKVTESA-N 2 2 328.460 2.881 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001094947241 1286261608 /nfs/dbraw/zinc/26/16/08/1286261608.db2.gz QMVVYJMVMRJQRN-CFVMTHIKSA-N 2 2 344.846 2.898 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCC(CC#N)CC4)C[C@H]3C2)cn1 ZINC001173335355 1286530423 /nfs/dbraw/zinc/53/04/23/1286530423.db2.gz IVZZPTAQMIBHIQ-CGIJZDBUSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCC(CC#N)CC4)C[C@H]3C2)cn1 ZINC001173335355 1286530429 /nfs/dbraw/zinc/53/04/29/1286530429.db2.gz IVZZPTAQMIBHIQ-CGIJZDBUSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCC(CC#N)CC4)C[C@H]3C2)cn1 ZINC001173335355 1286530432 /nfs/dbraw/zinc/53/04/32/1286530432.db2.gz IVZZPTAQMIBHIQ-CGIJZDBUSA-N 2 2 341.503 2.646 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCC(CC#N)CC4)C[C@H]3C2)cn1 ZINC001173335355 1286530436 /nfs/dbraw/zinc/53/04/36/1286530436.db2.gz IVZZPTAQMIBHIQ-CGIJZDBUSA-N 2 2 341.503 2.646 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403529 1286660670 /nfs/dbraw/zinc/66/06/70/1286660670.db2.gz PAFLURNZOJZYEU-HZPDHXFCSA-N 2 2 332.492 2.601 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134744118 1287138370 /nfs/dbraw/zinc/13/83/70/1287138370.db2.gz JDVMLRKDXZBJPT-CHWSQXEVSA-N 2 2 326.872 2.552 20 30 EFEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176727901 1288084469 /nfs/dbraw/zinc/08/44/69/1288084469.db2.gz CPLXZJXIMXGPCN-HNNXBMFYSA-N 2 2 335.517 2.557 20 30 EFEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176727901 1288084472 /nfs/dbraw/zinc/08/44/72/1288084472.db2.gz CPLXZJXIMXGPCN-HNNXBMFYSA-N 2 2 335.517 2.557 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728856 1288085615 /nfs/dbraw/zinc/08/56/15/1288085615.db2.gz RBSNYXHABPFKRI-MRXNPFEDSA-N 2 2 349.544 2.947 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728856 1288085620 /nfs/dbraw/zinc/08/56/20/1288085620.db2.gz RBSNYXHABPFKRI-MRXNPFEDSA-N 2 2 349.544 2.947 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176728990 1288086636 /nfs/dbraw/zinc/08/66/36/1288086636.db2.gz SYXPUQZXNBYRDX-INIZCTEOSA-N 2 2 349.544 2.947 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176728990 1288086643 /nfs/dbraw/zinc/08/66/43/1288086643.db2.gz SYXPUQZXNBYRDX-INIZCTEOSA-N 2 2 349.544 2.947 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769482 1288126372 /nfs/dbraw/zinc/12/63/72/1288126372.db2.gz MPKMCIZLVNFNKC-AEFFLSMTSA-N 2 2 332.492 2.525 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769332 1288126474 /nfs/dbraw/zinc/12/64/74/1288126474.db2.gz JWDZZPVPYFKNOP-FUHWJXTLSA-N 2 2 332.492 2.525 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769055 1288126487 /nfs/dbraw/zinc/12/64/87/1288126487.db2.gz CSTPZTKYNIFIDB-PKOBYXMFSA-N 2 2 346.519 2.915 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769484 1288126752 /nfs/dbraw/zinc/12/67/52/1288126752.db2.gz MPKMCIZLVNFNKC-SJLPKXTDSA-N 2 2 332.492 2.525 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378782 1288408745 /nfs/dbraw/zinc/40/87/45/1288408745.db2.gz LRAATSWPBJDGHG-UHFFFAOYSA-N 2 2 332.492 2.848 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001177352766 1288415000 /nfs/dbraw/zinc/41/50/00/1288415000.db2.gz LEEWRNJEPKMGBM-GOSISDBHSA-N 2 2 344.503 2.630 20 30 EFEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840610 1288472090 /nfs/dbraw/zinc/47/20/90/1288472090.db2.gz MKYROZRNXFDGEU-HZPDHXFCSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135915845 1288594693 /nfs/dbraw/zinc/59/46/93/1288594693.db2.gz CTXAKQLPHNMBAR-UONOGXRCSA-N 2 2 347.850 2.506 20 30 EFEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001178773764 1288924262 /nfs/dbraw/zinc/92/42/62/1288924262.db2.gz HCTGKZFCGUTMSY-SFHVURJKSA-N 2 2 332.492 2.760 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852070 1288941804 /nfs/dbraw/zinc/94/18/04/1288941804.db2.gz LINKQNPXOSVNFB-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819094 1312686718 /nfs/dbraw/zinc/68/67/18/1312686718.db2.gz JUTSKJOPTKRTSJ-DLBZAZTESA-N 2 2 344.503 2.676 20 30 EFEDLP CC(C)OCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658372 1312690710 /nfs/dbraw/zinc/69/07/10/1312690710.db2.gz QMYPZSBCPYFNOB-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP CC(C)OCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658372 1312690716 /nfs/dbraw/zinc/69/07/16/1312690716.db2.gz QMYPZSBCPYFNOB-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP CC(C)OCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658372 1312690719 /nfs/dbraw/zinc/69/07/19/1312690719.db2.gz QMYPZSBCPYFNOB-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP CC(C)OCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277658372 1312690723 /nfs/dbraw/zinc/69/07/23/1312690723.db2.gz QMYPZSBCPYFNOB-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001179977538 1289347579 /nfs/dbraw/zinc/34/75/79/1289347579.db2.gz VPACABYMOHEHOO-UHFFFAOYSA-N 2 2 341.459 2.723 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC001180208489 1289445017 /nfs/dbraw/zinc/44/50/17/1289445017.db2.gz ZWUMMIVCPFQLFJ-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC001180208489 1289445021 /nfs/dbraw/zinc/44/50/21/1289445021.db2.gz ZWUMMIVCPFQLFJ-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138977 1312737073 /nfs/dbraw/zinc/73/70/73/1312737073.db2.gz WBISALHUGGHVAR-UHFFFAOYSA-N 2 2 326.444 2.790 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651742 1290488465 /nfs/dbraw/zinc/48/84/65/1290488465.db2.gz HYNYEVAFWWJHOG-DOTOQJQBSA-N 2 2 332.492 2.577 20 30 EFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)s1)C2 ZINC001232843344 1312793830 /nfs/dbraw/zinc/79/38/30/1312793830.db2.gz WCGFONXJRHSXDS-APWZRJJASA-N 2 2 345.512 2.800 20 30 EFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)s1)C2 ZINC001232843344 1312793834 /nfs/dbraw/zinc/79/38/34/1312793834.db2.gz WCGFONXJRHSXDS-APWZRJJASA-N 2 2 345.512 2.800 20 30 EFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001232843344 1312793837 /nfs/dbraw/zinc/79/38/37/1312793837.db2.gz WCGFONXJRHSXDS-APWZRJJASA-N 2 2 345.512 2.800 20 30 EFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001232843344 1312793841 /nfs/dbraw/zinc/79/38/41/1312793841.db2.gz WCGFONXJRHSXDS-APWZRJJASA-N 2 2 345.512 2.800 20 30 EFEDLP C=CCCCC[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273501017 1290633954 /nfs/dbraw/zinc/63/39/54/1290633954.db2.gz QHBGGJZBAHZDEE-FQEVSTJZSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCC[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273501017 1290633966 /nfs/dbraw/zinc/63/39/66/1290633966.db2.gz QHBGGJZBAHZDEE-FQEVSTJZSA-N 2 2 344.503 2.944 20 30 EFEDLP C=CCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273501440 1290641499 /nfs/dbraw/zinc/64/14/99/1290641499.db2.gz RKOICBVCLBPYJZ-LJQANCHMSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCC[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273501440 1290641511 /nfs/dbraw/zinc/64/15/11/1290641511.db2.gz RKOICBVCLBPYJZ-LJQANCHMSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501996 1290693688 /nfs/dbraw/zinc/69/36/88/1290693688.db2.gz KKGUPTKWIFBYNA-MSOLQXFVSA-N 2 2 346.519 2.783 20 30 EFEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)c(C#N)c3)C[C@@H]2C1 ZINC001232896985 1312805688 /nfs/dbraw/zinc/80/56/88/1312805688.db2.gz VDEMTRDOKLHKCM-HIFRSBDPSA-N 2 2 334.261 2.704 20 30 EFEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)c(C#N)c3)C[C@@H]2C1 ZINC001232896985 1312805691 /nfs/dbraw/zinc/80/56/91/1312805691.db2.gz VDEMTRDOKLHKCM-HIFRSBDPSA-N 2 2 334.261 2.704 20 30 EFEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(C#N)c3)C[C@@H]2C1 ZINC001232896985 1312805693 /nfs/dbraw/zinc/80/56/93/1312805693.db2.gz VDEMTRDOKLHKCM-HIFRSBDPSA-N 2 2 334.261 2.704 20 30 EFEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(C#N)c3)C[C@@H]2C1 ZINC001232896985 1312805696 /nfs/dbraw/zinc/80/56/96/1312805696.db2.gz VDEMTRDOKLHKCM-HIFRSBDPSA-N 2 2 334.261 2.704 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185790217 1290763066 /nfs/dbraw/zinc/76/30/66/1290763066.db2.gz YSOQLCPZEOHBJP-MSOLQXFVSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3ncoc3c2)CC1 ZINC001232944259 1312816047 /nfs/dbraw/zinc/81/60/47/1312816047.db2.gz QJESGCJEFOMKAH-UHFFFAOYSA-N 2 2 340.471 2.619 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000876839318 1291043639 /nfs/dbraw/zinc/04/36/39/1291043639.db2.gz TVTJGZPNQVYCJQ-KRWDZBQOSA-N 2 2 342.487 2.949 20 30 EFEDLP N#CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001137116905 1291139353 /nfs/dbraw/zinc/13/93/53/1291139353.db2.gz VBYWSWKFGBEOLX-KDURUIRLSA-N 2 2 348.450 2.548 20 30 EFEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001137116905 1291139358 /nfs/dbraw/zinc/13/93/58/1291139358.db2.gz VBYWSWKFGBEOLX-KDURUIRLSA-N 2 2 348.450 2.548 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001137116905 1291139360 /nfs/dbraw/zinc/13/93/60/1291139360.db2.gz VBYWSWKFGBEOLX-KDURUIRLSA-N 2 2 348.450 2.548 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001137116905 1291139364 /nfs/dbraw/zinc/13/93/64/1291139364.db2.gz VBYWSWKFGBEOLX-KDURUIRLSA-N 2 2 348.450 2.548 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286199 1291367318 /nfs/dbraw/zinc/36/73/18/1291367318.db2.gz RNWBKLMJMFGNJN-OKZBNKHCSA-N 2 2 330.476 2.579 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286199 1291367325 /nfs/dbraw/zinc/36/73/25/1291367325.db2.gz RNWBKLMJMFGNJN-OKZBNKHCSA-N 2 2 330.476 2.579 20 30 EFEDLP CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000878192005 1291545763 /nfs/dbraw/zinc/54/57/63/1291545763.db2.gz XRPNQLDFPLXFRR-OAQYLSRUSA-N 2 2 348.450 2.644 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)CC1 ZINC000957566174 1291776211 /nfs/dbraw/zinc/77/62/11/1291776211.db2.gz HNHOZWXKQFSDJP-UHFFFAOYSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618808 1291896747 /nfs/dbraw/zinc/89/67/47/1291896747.db2.gz IFKNNCAPHDEIGX-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618808 1291896757 /nfs/dbraw/zinc/89/67/57/1291896757.db2.gz IFKNNCAPHDEIGX-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000957635708 1291935105 /nfs/dbraw/zinc/93/51/05/1291935105.db2.gz HERYTGVBRPVZMW-UHFFFAOYSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000957636787 1291938294 /nfs/dbraw/zinc/93/82/94/1291938294.db2.gz DNYJNSFUICLLDU-UHFFFAOYSA-N 2 2 330.476 2.541 20 30 EFEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001203229363 1312892239 /nfs/dbraw/zinc/89/22/39/1312892239.db2.gz FJDWLSUDEGNSPG-RBUKOAKNSA-N 2 2 348.450 2.526 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478504 1312906924 /nfs/dbraw/zinc/90/69/24/1312906924.db2.gz PBIIZTWSGNABFU-ZWKOTPCHSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478504 1312906925 /nfs/dbraw/zinc/90/69/25/1312906925.db2.gz PBIIZTWSGNABFU-ZWKOTPCHSA-N 2 2 338.455 2.898 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989538 1292416604 /nfs/dbraw/zinc/41/66/04/1292416604.db2.gz PWLQCLZVVOGHRW-ZWKOTPCHSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989538 1292416608 /nfs/dbraw/zinc/41/66/08/1292416608.db2.gz PWLQCLZVVOGHRW-ZWKOTPCHSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008859 1292422067 /nfs/dbraw/zinc/42/20/67/1292422067.db2.gz CEMHOERIFGZXJH-ZWKOTPCHSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008859 1292422073 /nfs/dbraw/zinc/42/20/73/1292422073.db2.gz CEMHOERIFGZXJH-ZWKOTPCHSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008855 1292422244 /nfs/dbraw/zinc/42/22/44/1292422244.db2.gz CEMHOERIFGZXJH-MSOLQXFVSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191008855 1292422249 /nfs/dbraw/zinc/42/22/49/1292422249.db2.gz CEMHOERIFGZXJH-MSOLQXFVSA-N 2 2 346.519 2.949 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012456 1292426018 /nfs/dbraw/zinc/42/60/18/1292426018.db2.gz ZRCIGXHXTFQCDP-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191012456 1292426023 /nfs/dbraw/zinc/42/60/23/1292426023.db2.gz ZRCIGXHXTFQCDP-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203531065 1312947696 /nfs/dbraw/zinc/94/76/96/1312947696.db2.gz OISYKSHSIYNUDB-JKSUJKDBSA-N 2 2 332.492 2.940 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544179 1312990559 /nfs/dbraw/zinc/99/05/59/1312990559.db2.gz BOPSGRCJKRGJHV-IAGOWNOFSA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544179 1312990564 /nfs/dbraw/zinc/99/05/64/1312990564.db2.gz BOPSGRCJKRGJHV-IAGOWNOFSA-N 2 2 330.476 2.568 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882948851 1293397952 /nfs/dbraw/zinc/39/79/52/1293397952.db2.gz ORSAEPVLHQVXDQ-IBGZPJMESA-N 2 2 325.456 2.709 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882948851 1293397960 /nfs/dbraw/zinc/39/79/60/1293397960.db2.gz ORSAEPVLHQVXDQ-IBGZPJMESA-N 2 2 325.456 2.709 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000883131376 1293473529 /nfs/dbraw/zinc/47/35/29/1293473529.db2.gz ZFQDJFNPPHPNPK-UHFFFAOYSA-N 2 2 325.243 2.686 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000883131376 1293473534 /nfs/dbraw/zinc/47/35/34/1293473534.db2.gz ZFQDJFNPPHPNPK-UHFFFAOYSA-N 2 2 325.243 2.686 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000883131148 1293473645 /nfs/dbraw/zinc/47/36/45/1293473645.db2.gz JVHUYPZQVPKPON-UHFFFAOYSA-N 2 2 338.377 2.637 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000883131148 1293473648 /nfs/dbraw/zinc/47/36/48/1293473648.db2.gz JVHUYPZQVPKPON-UHFFFAOYSA-N 2 2 338.377 2.637 20 30 EFEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194226871 1293561125 /nfs/dbraw/zinc/56/11/25/1293561125.db2.gz HFPFCOMCKQMAFV-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001194226871 1293561130 /nfs/dbraw/zinc/56/11/30/1293561130.db2.gz HFPFCOMCKQMAFV-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001194226871 1293561134 /nfs/dbraw/zinc/56/11/34/1293561134.db2.gz HFPFCOMCKQMAFV-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001194226871 1293561138 /nfs/dbraw/zinc/56/11/38/1293561138.db2.gz HFPFCOMCKQMAFV-QGZVFWFLSA-N 2 2 347.528 2.605 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815883 1313023417 /nfs/dbraw/zinc/02/34/17/1313023417.db2.gz RSDRQFRMKDRGAA-IAGOWNOFSA-N 2 2 332.492 2.871 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268350 1294176849 /nfs/dbraw/zinc/17/68/49/1294176849.db2.gz GQDSSUDBKXMXTI-QGZVFWFLSA-N 2 2 332.492 2.816 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268350 1294176852 /nfs/dbraw/zinc/17/68/52/1294176852.db2.gz GQDSSUDBKXMXTI-QGZVFWFLSA-N 2 2 332.492 2.816 20 30 EFEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242731 1294182518 /nfs/dbraw/zinc/18/25/18/1294182518.db2.gz LKIYVZYQRGEDAR-SFHVURJKSA-N 2 2 332.492 2.971 20 30 EFEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242731 1294182523 /nfs/dbraw/zinc/18/25/23/1294182523.db2.gz LKIYVZYQRGEDAR-SFHVURJKSA-N 2 2 332.492 2.971 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589694 1313058537 /nfs/dbraw/zinc/05/85/37/1313058537.db2.gz AWCPEWUGSPXKSJ-IRXDYDNUSA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589694 1313058539 /nfs/dbraw/zinc/05/85/39/1313058539.db2.gz AWCPEWUGSPXKSJ-IRXDYDNUSA-N 2 2 344.846 2.766 20 30 EFEDLP C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001196673436 1294330266 /nfs/dbraw/zinc/33/02/66/1294330266.db2.gz FILRQCFEIZJXLL-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP C=CCCC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001196673436 1294330274 /nfs/dbraw/zinc/33/02/74/1294330274.db2.gz FILRQCFEIZJXLL-UHFFFAOYSA-N 2 2 338.455 2.986 20 30 EFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C#N)cc1 ZINC001198018873 1294834734 /nfs/dbraw/zinc/83/47/34/1294834734.db2.gz MNPKGLMXRHNJAF-IBGZPJMESA-N 2 2 342.487 2.588 20 30 EFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C#N)cc1 ZINC001198018873 1294834736 /nfs/dbraw/zinc/83/47/36/1294834736.db2.gz MNPKGLMXRHNJAF-IBGZPJMESA-N 2 2 342.487 2.588 20 30 EFEDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001204368184 1313131626 /nfs/dbraw/zinc/13/16/26/1313131626.db2.gz VGMCSYOTWLPLHI-NHCUHLMSSA-N 2 2 339.483 2.739 20 30 EFEDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001204368184 1313131630 /nfs/dbraw/zinc/13/16/30/1313131630.db2.gz VGMCSYOTWLPLHI-NHCUHLMSSA-N 2 2 339.483 2.739 20 30 EFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001204368184 1313131632 /nfs/dbraw/zinc/13/16/32/1313131632.db2.gz VGMCSYOTWLPLHI-NHCUHLMSSA-N 2 2 339.483 2.739 20 30 EFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001204368184 1313131636 /nfs/dbraw/zinc/13/16/36/1313131636.db2.gz VGMCSYOTWLPLHI-NHCUHLMSSA-N 2 2 339.483 2.739 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716183 1313214164 /nfs/dbraw/zinc/21/41/64/1313214164.db2.gz BMVXNHPVGMXHQK-JKSUJKDBSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716183 1313214167 /nfs/dbraw/zinc/21/41/67/1313214167.db2.gz BMVXNHPVGMXHQK-JKSUJKDBSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716183 1313214170 /nfs/dbraw/zinc/21/41/70/1313214170.db2.gz BMVXNHPVGMXHQK-JKSUJKDBSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716183 1313214173 /nfs/dbraw/zinc/21/41/73/1313214173.db2.gz BMVXNHPVGMXHQK-JKSUJKDBSA-N 2 2 339.911 2.536 20 30 EFEDLP C(#Cc1ccccc1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC001234972449 1313214841 /nfs/dbraw/zinc/21/48/41/1313214841.db2.gz YYTZAHGPKHYBHT-FGZHOGPDSA-N 2 2 332.447 2.507 20 30 EFEDLP C(#Cc1ccccc1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC001234972449 1313214843 /nfs/dbraw/zinc/21/48/43/1313214843.db2.gz YYTZAHGPKHYBHT-FGZHOGPDSA-N 2 2 332.447 2.507 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001049714362 1313215496 /nfs/dbraw/zinc/21/54/96/1313215496.db2.gz MUFOPGWNWPFYKT-RYQLBKOJSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001049714362 1313215500 /nfs/dbraw/zinc/21/55/00/1313215500.db2.gz MUFOPGWNWPFYKT-RYQLBKOJSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001049714361 1313215523 /nfs/dbraw/zinc/21/55/23/1313215523.db2.gz MUFOPGWNWPFYKT-KBAYOESNSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001049714361 1313215526 /nfs/dbraw/zinc/21/55/26/1313215526.db2.gz MUFOPGWNWPFYKT-KBAYOESNSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001049714359 1313215584 /nfs/dbraw/zinc/21/55/84/1313215584.db2.gz MUFOPGWNWPFYKT-BPQIPLTHSA-N 2 2 342.487 2.861 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001049714359 1313215587 /nfs/dbraw/zinc/21/55/87/1313215587.db2.gz MUFOPGWNWPFYKT-BPQIPLTHSA-N 2 2 342.487 2.861 20 30 EFEDLP C=CCN1c2ccccc2C2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273826378 1296167716 /nfs/dbraw/zinc/16/77/16/1296167716.db2.gz CWSSRPUXSWFJGI-UHFFFAOYSA-N 2 2 339.483 2.647 20 30 EFEDLP C=CCC[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205290537 1313265576 /nfs/dbraw/zinc/26/55/76/1313265576.db2.gz JUQKDIAJDLZWQY-UHFFFAOYSA-N 2 2 326.444 2.661 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCCO1 ZINC001201023706 1296526328 /nfs/dbraw/zinc/52/63/28/1296526328.db2.gz QJHPTICQSJMVFU-SFHVURJKSA-N 2 2 345.487 2.794 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321580 1296725932 /nfs/dbraw/zinc/72/59/32/1296725932.db2.gz PXOHBAYHDWUPRJ-QGZVFWFLSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321579 1296726199 /nfs/dbraw/zinc/72/61/99/1296726199.db2.gz PXOHBAYHDWUPRJ-KRWDZBQOSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487532 1313298464 /nfs/dbraw/zinc/29/84/64/1313298464.db2.gz GGSRLYXNAAXERG-DJIMGWMZSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487532 1313298467 /nfs/dbraw/zinc/29/84/67/1313298467.db2.gz GGSRLYXNAAXERG-DJIMGWMZSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205522223 1313304555 /nfs/dbraw/zinc/30/45/55/1313304555.db2.gz RPRGVXSVGMVCOU-UHFFFAOYSA-N 2 2 332.835 2.757 20 30 EFEDLP C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000776187392 1296818354 /nfs/dbraw/zinc/81/83/54/1296818354.db2.gz GIVAEGFVBVABJR-NXHRZFHOSA-N 2 2 339.487 2.744 20 30 EFEDLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000776187392 1296818373 /nfs/dbraw/zinc/81/83/73/1296818373.db2.gz GIVAEGFVBVABJR-NXHRZFHOSA-N 2 2 339.487 2.744 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556455 1313312295 /nfs/dbraw/zinc/31/22/95/1313312295.db2.gz SPQNNCHJTUMLKN-QGZVFWFLSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556455 1313312299 /nfs/dbraw/zinc/31/22/99/1313312299.db2.gz SPQNNCHJTUMLKN-QGZVFWFLSA-N 2 2 344.503 2.617 20 30 EFEDLP N#CCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943289 1313315258 /nfs/dbraw/zinc/31/52/58/1313315258.db2.gz REQFNAUGWNUNTJ-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943289 1313315261 /nfs/dbraw/zinc/31/52/61/1313315261.db2.gz REQFNAUGWNUNTJ-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943289 1313315262 /nfs/dbraw/zinc/31/52/62/1313315262.db2.gz REQFNAUGWNUNTJ-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP N#CCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277943289 1313315265 /nfs/dbraw/zinc/31/52/65/1313315265.db2.gz REQFNAUGWNUNTJ-IBGZPJMESA-N 2 2 328.460 2.769 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806164 1313322836 /nfs/dbraw/zinc/32/28/36/1313322836.db2.gz MIRSEHHZQASRDG-IRXDYDNUSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806164 1313322840 /nfs/dbraw/zinc/32/28/40/1313322840.db2.gz MIRSEHHZQASRDG-IRXDYDNUSA-N 2 2 339.911 2.536 20 30 EFEDLP CCCCCCCC[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001201813232 1297097773 /nfs/dbraw/zinc/09/77/73/1297097773.db2.gz CLYZCSYKOWJUNC-UHFFFAOYSA-N 2 2 347.551 2.807 20 30 EFEDLP CCCCCCCC[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001201813232 1297097787 /nfs/dbraw/zinc/09/77/87/1297097787.db2.gz CLYZCSYKOWJUNC-UHFFFAOYSA-N 2 2 347.551 2.807 20 30 EFEDLP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522563 1313343128 /nfs/dbraw/zinc/34/31/28/1313343128.db2.gz QFWHZCRTDWDJHQ-NJYVYQBISA-N 2 2 344.499 2.630 20 30 EFEDLP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235522563 1313343131 /nfs/dbraw/zinc/34/31/31/1313343131.db2.gz QFWHZCRTDWDJHQ-NJYVYQBISA-N 2 2 344.499 2.630 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847669 1313383171 /nfs/dbraw/zinc/38/31/71/1313383171.db2.gz ZCEFOVJFWKNUDP-DLBZAZTESA-N 2 2 348.878 2.579 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049847669 1313383175 /nfs/dbraw/zinc/38/31/75/1313383175.db2.gz ZCEFOVJFWKNUDP-DLBZAZTESA-N 2 2 348.878 2.579 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565904 1313415771 /nfs/dbraw/zinc/41/57/71/1313415771.db2.gz ZJASBXNMNSXVSW-YESZJQIVSA-N 2 2 330.476 2.648 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565904 1313415774 /nfs/dbraw/zinc/41/57/74/1313415774.db2.gz ZJASBXNMNSXVSW-YESZJQIVSA-N 2 2 330.476 2.648 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CO1 ZINC001235967749 1313424419 /nfs/dbraw/zinc/42/44/19/1313424419.db2.gz AEGSPXPRNSATIH-WMZOPIPTSA-N 2 2 329.444 2.516 20 30 EFEDLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CO1 ZINC001235967749 1313424420 /nfs/dbraw/zinc/42/44/20/1313424420.db2.gz AEGSPXPRNSATIH-WMZOPIPTSA-N 2 2 329.444 2.516 20 30 EFEDLP N#Cc1cccc(O[C@@H]2CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001235970201 1313424846 /nfs/dbraw/zinc/42/48/46/1313424846.db2.gz ZHTSSSYWCYDTHK-TZIWHRDSSA-N 2 2 335.451 2.971 20 30 EFEDLP N#Cc1cccc(O[C@@H]2CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001235970201 1313424848 /nfs/dbraw/zinc/42/48/48/1313424848.db2.gz ZHTSSSYWCYDTHK-TZIWHRDSSA-N 2 2 335.451 2.971 20 30 EFEDLP N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206683728 1313491325 /nfs/dbraw/zinc/49/13/25/1313491325.db2.gz LQMNNTDOZUYXFQ-UHFFFAOYSA-N 2 2 347.462 2.949 20 30 EFEDLP N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206683728 1313491327 /nfs/dbraw/zinc/49/13/27/1313491327.db2.gz LQMNNTDOZUYXFQ-UHFFFAOYSA-N 2 2 347.462 2.949 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961222035 1298356683 /nfs/dbraw/zinc/35/66/83/1298356683.db2.gz WPIRLBUIOIRBST-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961222035 1298356694 /nfs/dbraw/zinc/35/66/94/1298356694.db2.gz WPIRLBUIOIRBST-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413687 1298710164 /nfs/dbraw/zinc/71/01/64/1298710164.db2.gz FYPGMSNRNLGEDT-HKUYNNGSSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413687 1298710170 /nfs/dbraw/zinc/71/01/70/1298710170.db2.gz FYPGMSNRNLGEDT-HKUYNNGSSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961434207 1298742907 /nfs/dbraw/zinc/74/29/07/1298742907.db2.gz ZELXXDICSDWMSZ-SFHVURJKSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961434207 1298742917 /nfs/dbraw/zinc/74/29/17/1298742917.db2.gz ZELXXDICSDWMSZ-SFHVURJKSA-N 2 2 344.503 2.787 20 30 EFEDLP N#Cc1cccc(CCC[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1 ZINC001278127183 1313685357 /nfs/dbraw/zinc/68/53/57/1313685357.db2.gz MIPZUTRGUVSRIV-SFTDATJTSA-N 2 2 349.482 2.536 20 30 EFEDLP N#Cc1cccc(CCC[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1 ZINC001278127183 1313685359 /nfs/dbraw/zinc/68/53/59/1313685359.db2.gz MIPZUTRGUVSRIV-SFTDATJTSA-N 2 2 349.482 2.536 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963309724 1300566620 /nfs/dbraw/zinc/56/66/20/1300566620.db2.gz AQEPFEPIFDKCFE-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963309724 1300566633 /nfs/dbraw/zinc/56/66/33/1300566633.db2.gz AQEPFEPIFDKCFE-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963309724 1300566645 /nfs/dbraw/zinc/56/66/45/1300566645.db2.gz AQEPFEPIFDKCFE-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963309724 1300566652 /nfs/dbraw/zinc/56/66/52/1300566652.db2.gz AQEPFEPIFDKCFE-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337099 1300632627 /nfs/dbraw/zinc/63/26/27/1300632627.db2.gz KSZHLFBZGMGDFK-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337099 1300632635 /nfs/dbraw/zinc/63/26/35/1300632635.db2.gz KSZHLFBZGMGDFK-QZTJIDSGSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963341516 1300645088 /nfs/dbraw/zinc/64/50/88/1300645088.db2.gz XWIPXERHVIUXEN-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963341516 1300645097 /nfs/dbraw/zinc/64/50/97/1300645097.db2.gz XWIPXERHVIUXEN-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963387635 1300748237 /nfs/dbraw/zinc/74/82/37/1300748237.db2.gz WJAPNZRIVMVEDN-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963387635 1300748242 /nfs/dbraw/zinc/74/82/42/1300748242.db2.gz WJAPNZRIVMVEDN-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409968 1300788889 /nfs/dbraw/zinc/78/88/89/1300788889.db2.gz YTPKMXKTWOJCLA-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409968 1300788896 /nfs/dbraw/zinc/78/88/96/1300788896.db2.gz YTPKMXKTWOJCLA-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000963670124 1301198460 /nfs/dbraw/zinc/19/84/60/1301198460.db2.gz KMEJPCJWYMAAGQ-UHFFFAOYSA-N 2 2 326.444 2.883 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761678 1313767278 /nfs/dbraw/zinc/76/72/78/1313767278.db2.gz MQHUVDGEFBEEOA-KZNAEPCWSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761678 1313767282 /nfs/dbraw/zinc/76/72/82/1313767282.db2.gz MQHUVDGEFBEEOA-KZNAEPCWSA-N 2 2 344.503 2.628 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761350 1313767613 /nfs/dbraw/zinc/76/76/13/1313767613.db2.gz JEVRXUXABLHKOX-KZNAEPCWSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761350 1313767615 /nfs/dbraw/zinc/76/76/15/1313767615.db2.gz JEVRXUXABLHKOX-KZNAEPCWSA-N 2 2 346.519 2.852 20 30 EFEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001238191335 1313781833 /nfs/dbraw/zinc/78/18/33/1313781833.db2.gz REBOUWWHJIOEEN-UHFFFAOYSA-N 2 2 332.835 2.842 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365846 1313911342 /nfs/dbraw/zinc/91/13/42/1313911342.db2.gz TXOQARWDZIVZOS-BRWVUGGUSA-N 2 2 330.476 2.840 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365846 1313911344 /nfs/dbraw/zinc/91/13/44/1313911344.db2.gz TXOQARWDZIVZOS-BRWVUGGUSA-N 2 2 330.476 2.840 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407963 1313922373 /nfs/dbraw/zinc/92/23/73/1313922373.db2.gz PFQIWMRHYYEXPL-GOSISDBHSA-N 2 2 345.487 2.960 20 30 EFEDLP CCCCCCCCOC(=O)N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001239337112 1313927079 /nfs/dbraw/zinc/92/70/79/1313927079.db2.gz YYEXCKXMHVZBQI-QGZVFWFLSA-N 2 2 325.497 2.838 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439339 1313928874 /nfs/dbraw/zinc/92/88/74/1313928874.db2.gz QSAMIPBPYLEOKN-ROUUACIJSA-N 2 2 346.519 2.997 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439338 1313928983 /nfs/dbraw/zinc/92/89/83/1313928983.db2.gz QSAMIPBPYLEOKN-QZTJIDSGSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447198 1313930187 /nfs/dbraw/zinc/93/01/87/1313930187.db2.gz KIFQIOHROFOCGK-ZWKOTPCHSA-N 2 2 344.503 2.773 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208450225 1313931983 /nfs/dbraw/zinc/93/19/83/1313931983.db2.gz BTEAJFOUNWIZAM-MSOLQXFVSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001037884079 1304212144 /nfs/dbraw/zinc/21/21/44/1304212144.db2.gz VGWAWGKXPUILHJ-CABCVRRESA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397456 1304944155 /nfs/dbraw/zinc/94/41/55/1304944155.db2.gz PCYMGFDWSKOYOB-BLLLJJGKSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397456 1304944163 /nfs/dbraw/zinc/94/41/63/1304944163.db2.gz PCYMGFDWSKOYOB-BLLLJJGKSA-N 2 2 332.835 2.527 20 30 EFEDLP N#Cc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208925820 1314047692 /nfs/dbraw/zinc/04/76/92/1314047692.db2.gz UGZOPRFHFHTLJQ-OYRHEFFESA-N 2 2 332.451 2.560 20 30 EFEDLP N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208925820 1314047694 /nfs/dbraw/zinc/04/76/94/1314047694.db2.gz UGZOPRFHFHTLJQ-OYRHEFFESA-N 2 2 332.451 2.560 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208925820 1314047696 /nfs/dbraw/zinc/04/76/96/1314047696.db2.gz UGZOPRFHFHTLJQ-OYRHEFFESA-N 2 2 332.451 2.560 20 30 EFEDLP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208925820 1314047697 /nfs/dbraw/zinc/04/76/97/1314047697.db2.gz UGZOPRFHFHTLJQ-OYRHEFFESA-N 2 2 332.451 2.560 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC ZINC001037967485 1305438631 /nfs/dbraw/zinc/43/86/31/1305438631.db2.gz PXEWTWIPCYNJBY-KGLIPLIRSA-N 2 2 338.883 2.657 20 30 EFEDLP C=CCCCC[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001209208774 1314116484 /nfs/dbraw/zinc/11/64/84/1314116484.db2.gz ZCJIPDJAPPZHNB-UHFFFAOYSA-N 3 2 348.579 2.519 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496455 1306399235 /nfs/dbraw/zinc/39/92/35/1306399235.db2.gz BULVGKYTCZZYBG-YOEHRIQHSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496455 1306399238 /nfs/dbraw/zinc/39/92/38/1306399238.db2.gz BULVGKYTCZZYBG-YOEHRIQHSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497160 1306400579 /nfs/dbraw/zinc/40/05/79/1306400579.db2.gz HNWXORHMJKCHIU-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497160 1306400585 /nfs/dbraw/zinc/40/05/85/1306400585.db2.gz HNWXORHMJKCHIU-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882308 1306753588 /nfs/dbraw/zinc/75/35/88/1306753588.db2.gz LJBGKCRBCPIQAJ-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882308 1306753596 /nfs/dbraw/zinc/75/35/96/1306753596.db2.gz LJBGKCRBCPIQAJ-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882308 1306753602 /nfs/dbraw/zinc/75/36/02/1306753602.db2.gz LJBGKCRBCPIQAJ-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001044773523 1306791852 /nfs/dbraw/zinc/79/18/52/1306791852.db2.gz BEKADHVADPNRRR-IAGOWNOFSA-N 2 2 340.471 2.730 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926312 1306806613 /nfs/dbraw/zinc/80/66/13/1306806613.db2.gz ZXRHFWXTWAFKPO-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926312 1306806621 /nfs/dbraw/zinc/80/66/21/1306806621.db2.gz ZXRHFWXTWAFKPO-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926312 1306806625 /nfs/dbraw/zinc/80/66/25/1306806625.db2.gz ZXRHFWXTWAFKPO-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926312 1306806631 /nfs/dbraw/zinc/80/66/31/1306806631.db2.gz ZXRHFWXTWAFKPO-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCCCCCC[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209436292 1314162591 /nfs/dbraw/zinc/16/25/91/1314162591.db2.gz SNKDTFCYHLKSCJ-UHFFFAOYSA-N 2 2 345.535 2.583 20 30 EFEDLP C=CCCCCCC[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209436292 1314162593 /nfs/dbraw/zinc/16/25/93/1314162593.db2.gz SNKDTFCYHLKSCJ-UHFFFAOYSA-N 2 2 345.535 2.583 20 30 EFEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439260 1307339428 /nfs/dbraw/zinc/33/94/28/1307339428.db2.gz HZFGNQDPIIZKLE-UHFFFAOYSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001045476630 1307366224 /nfs/dbraw/zinc/36/62/24/1307366224.db2.gz XAJWZZJYFQQYAC-UHFFFAOYSA-N 2 2 332.835 2.900 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007500156 1307472584 /nfs/dbraw/zinc/47/25/84/1307472584.db2.gz RAIHOWZIXRMFRM-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500156 1307472589 /nfs/dbraw/zinc/47/25/89/1307472589.db2.gz RAIHOWZIXRMFRM-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500156 1307472595 /nfs/dbraw/zinc/47/25/95/1307472595.db2.gz RAIHOWZIXRMFRM-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500156 1307472597 /nfs/dbraw/zinc/47/25/97/1307472597.db2.gz RAIHOWZIXRMFRM-HOTGVXAUSA-N 2 2 327.900 2.582 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007520063 1307487428 /nfs/dbraw/zinc/48/74/28/1307487428.db2.gz XKCCTWNIKPOYKG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007520063 1307487431 /nfs/dbraw/zinc/48/74/31/1307487431.db2.gz XKCCTWNIKPOYKG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007520063 1307487435 /nfs/dbraw/zinc/48/74/35/1307487435.db2.gz XKCCTWNIKPOYKG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007520063 1307487438 /nfs/dbraw/zinc/48/74/38/1307487438.db2.gz XKCCTWNIKPOYKG-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945731 1307965193 /nfs/dbraw/zinc/96/51/93/1307965193.db2.gz YHOSHHXMBAXSNE-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945731 1307965195 /nfs/dbraw/zinc/96/51/95/1307965195.db2.gz YHOSHHXMBAXSNE-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945731 1307965200 /nfs/dbraw/zinc/96/52/00/1307965200.db2.gz YHOSHHXMBAXSNE-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945731 1307965204 /nfs/dbraw/zinc/96/52/04/1307965204.db2.gz YHOSHHXMBAXSNE-MBOZVWFJSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945730 1307966097 /nfs/dbraw/zinc/96/60/97/1307966097.db2.gz YHOSHHXMBAXSNE-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945730 1307966101 /nfs/dbraw/zinc/96/61/01/1307966101.db2.gz YHOSHHXMBAXSNE-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945730 1307966105 /nfs/dbraw/zinc/96/61/05/1307966105.db2.gz YHOSHHXMBAXSNE-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945730 1307966108 /nfs/dbraw/zinc/96/61/08/1307966108.db2.gz YHOSHHXMBAXSNE-HLIPFELVSA-N 2 2 342.487 2.794 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045954510 1307989357 /nfs/dbraw/zinc/98/93/57/1307989357.db2.gz AFWGKCCPQOXMKY-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001045954510 1307989362 /nfs/dbraw/zinc/98/93/62/1307989362.db2.gz AFWGKCCPQOXMKY-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958361 1307998964 /nfs/dbraw/zinc/99/89/64/1307998964.db2.gz QUXROTPIAGHXAM-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958361 1307998967 /nfs/dbraw/zinc/99/89/67/1307998967.db2.gz QUXROTPIAGHXAM-IBGZPJMESA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972898 1308042134 /nfs/dbraw/zinc/04/21/34/1308042134.db2.gz JYBUDFONELMWDA-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045972898 1308042136 /nfs/dbraw/zinc/04/21/36/1308042136.db2.gz JYBUDFONELMWDA-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972898 1308042138 /nfs/dbraw/zinc/04/21/38/1308042138.db2.gz JYBUDFONELMWDA-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045972898 1308042140 /nfs/dbraw/zinc/04/21/40/1308042140.db2.gz JYBUDFONELMWDA-YLJYHZDGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045981864 1308072805 /nfs/dbraw/zinc/07/28/05/1308072805.db2.gz IANDSYMTNJXQNW-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001045981864 1308072813 /nfs/dbraw/zinc/07/28/13/1308072813.db2.gz IANDSYMTNJXQNW-HXUWFJFHSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700016 1314309216 /nfs/dbraw/zinc/30/92/16/1314309216.db2.gz HLZPCILQHXIZCT-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700016 1314309220 /nfs/dbraw/zinc/30/92/20/1314309220.db2.gz HLZPCILQHXIZCT-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001047248997 1310413716 /nfs/dbraw/zinc/41/37/16/1310413716.db2.gz VZRQNQYNFNDTPZ-IBGZPJMESA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047257831 1310434559 /nfs/dbraw/zinc/43/45/59/1310434559.db2.gz PZTNIFUHLCBMTC-MJGOQNOKSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945318 1311058142 /nfs/dbraw/zinc/05/81/42/1311058142.db2.gz KIODMFLYGBVLNF-ARFHVFGLSA-N 2 2 330.476 2.575 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945318 1311058146 /nfs/dbraw/zinc/05/81/46/1311058146.db2.gz KIODMFLYGBVLNF-ARFHVFGLSA-N 2 2 330.476 2.575 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091972 1311083077 /nfs/dbraw/zinc/08/30/77/1311083077.db2.gz FWKMDLXRKHKPKV-GOSISDBHSA-N 2 2 332.492 2.990 20 30 EFEDLP N#Cc1ccc(Br)cc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222542486 1311149887 /nfs/dbraw/zinc/14/98/87/1311149887.db2.gz FWJKNKUYEYWTHB-UHFFFAOYSA-N 2 2 326.213 2.584 20 30 EFEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536383 1311247446 /nfs/dbraw/zinc/24/74/46/1311247446.db2.gz FDXJGSHYQSUNJS-UHFFFAOYSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001101549011 1311248714 /nfs/dbraw/zinc/24/87/14/1311248714.db2.gz WGGMWJNSKWOVNC-HZPDHXFCSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001101549011 1311248718 /nfs/dbraw/zinc/24/87/18/1311248718.db2.gz WGGMWJNSKWOVNC-HZPDHXFCSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001223481861 1311266601 /nfs/dbraw/zinc/26/66/01/1311266601.db2.gz CPZJBFKOGHMHIB-NUJGCVRESA-N 2 2 342.487 2.719 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001223481861 1311266605 /nfs/dbraw/zinc/26/66/05/1311266605.db2.gz CPZJBFKOGHMHIB-NUJGCVRESA-N 2 2 342.487 2.719 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001223661194 1311288377 /nfs/dbraw/zinc/28/83/77/1311288377.db2.gz MOCNYKFJSBTGPD-KRWDZBQOSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001223661194 1311288380 /nfs/dbraw/zinc/28/83/80/1311288380.db2.gz MOCNYKFJSBTGPD-KRWDZBQOSA-N 2 2 344.503 2.617 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2c1ccn2C(C)C ZINC001159925265 1311609842 /nfs/dbraw/zinc/60/98/42/1311609842.db2.gz GEIINDGMMCMTPO-HNNXBMFYSA-N 2 2 345.447 2.651 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330952 1311691445 /nfs/dbraw/zinc/69/14/45/1311691445.db2.gz PRUWUMCENWGWTL-MRXNPFEDSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330952 1311691447 /nfs/dbraw/zinc/69/14/47/1311691447.db2.gz PRUWUMCENWGWTL-MRXNPFEDSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330952 1311691449 /nfs/dbraw/zinc/69/14/49/1311691449.db2.gz PRUWUMCENWGWTL-MRXNPFEDSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330952 1311691453 /nfs/dbraw/zinc/69/14/53/1311691453.db2.gz PRUWUMCENWGWTL-MRXNPFEDSA-N 2 2 330.476 2.835 20 30 EFEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491904 1311721662 /nfs/dbraw/zinc/72/16/62/1311721662.db2.gz KUNUUNPUGQNLTA-UHFFFAOYSA-N 2 2 330.476 2.641 20 30 EFEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491904 1311721665 /nfs/dbraw/zinc/72/16/65/1311721665.db2.gz KUNUUNPUGQNLTA-UHFFFAOYSA-N 2 2 330.476 2.641 20 30 EFEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226972507 1311748920 /nfs/dbraw/zinc/74/89/20/1311748920.db2.gz DYOCQKJZCVMCJZ-KURKYZTESA-N 2 2 330.476 2.511 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165281 1311770578 /nfs/dbraw/zinc/77/05/78/1311770578.db2.gz LMGNUMFPRPMDPZ-GVDBMIGSSA-N 2 2 344.503 2.806 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165281 1311770580 /nfs/dbraw/zinc/77/05/80/1311770580.db2.gz LMGNUMFPRPMDPZ-GVDBMIGSSA-N 2 2 344.503 2.806 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821216 1311789245 /nfs/dbraw/zinc/78/92/45/1311789245.db2.gz CYUYYFQLQBFZEM-QGZVFWFLSA-N 2 2 330.476 2.766 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821216 1311789246 /nfs/dbraw/zinc/78/92/46/1311789246.db2.gz CYUYYFQLQBFZEM-QGZVFWFLSA-N 2 2 330.476 2.766 20 30 EFEDLP C=CCCC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001227372793 1311799175 /nfs/dbraw/zinc/79/91/75/1311799175.db2.gz NQWRJSPNDSLYNH-UHFFFAOYSA-N 2 2 326.444 2.803 20 30 EFEDLP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001228053396 1311894932 /nfs/dbraw/zinc/89/49/32/1311894932.db2.gz FUPBQFSJPGPBCB-QGZVFWFLSA-N 2 2 346.519 2.997 20 30 EFEDLP C#CCC[N@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627698 1311935143 /nfs/dbraw/zinc/93/51/43/1311935143.db2.gz PPKQYIMAULANHU-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627698 1311935144 /nfs/dbraw/zinc/93/51/44/1311935144.db2.gz PPKQYIMAULANHU-UHFFFAOYSA-N 2 2 348.450 2.648 20 30 EFEDLP C=CCCCCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705395 1311956674 /nfs/dbraw/zinc/95/66/74/1311956674.db2.gz SAHGWGMUOABYNY-UHFFFAOYSA-N 2 2 344.503 2.847 20 30 EFEDLP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705395 1311956677 /nfs/dbraw/zinc/95/66/77/1311956677.db2.gz SAHGWGMUOABYNY-UHFFFAOYSA-N 2 2 344.503 2.847 20 30 EFEDLP Cc1ccc2nc(NCC[NH+]3CCC([NH3+])CC3)c(C#N)c(Cl)c2c1 ZINC001161872507 1311991434 /nfs/dbraw/zinc/99/14/34/1311991434.db2.gz GIPPXXAGTIQLHX-UHFFFAOYSA-N 2 2 343.862 2.903 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001229139295 1312052295 /nfs/dbraw/zinc/05/22/95/1312052295.db2.gz MXTQHCDXDNDRHJ-GDBMZVCRSA-N 2 2 330.476 2.765 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001229139301 1312052718 /nfs/dbraw/zinc/05/27/18/1312052718.db2.gz MXTQHCDXDNDRHJ-ZBFHGGJFSA-N 2 2 330.476 2.765 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558982 1312113706 /nfs/dbraw/zinc/11/37/06/1312113706.db2.gz NDOOMPKNPIVEFI-INIZCTEOSA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229558982 1312113710 /nfs/dbraw/zinc/11/37/10/1312113710.db2.gz NDOOMPKNPIVEFI-INIZCTEOSA-N 2 2 332.492 2.915 20 30 EFEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001162876880 1312194486 /nfs/dbraw/zinc/19/44/86/1312194486.db2.gz OSYKLHYRXAJANG-UHFFFAOYSA-N 2 2 340.471 2.510 20 30 EFEDLP N#CC1(c2cc[nH+]c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)c2)CC1 ZINC001162957613 1312211294 /nfs/dbraw/zinc/21/12/94/1312211294.db2.gz OVGKAIADNNBHFG-MRXNPFEDSA-N 2 2 326.444 2.597 20 30 EFEDLP N#CC1(c2cc[nH+]c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)c2)CC1 ZINC001162957612 1312211504 /nfs/dbraw/zinc/21/15/04/1312211504.db2.gz OVGKAIADNNBHFG-INIZCTEOSA-N 2 2 326.444 2.597 20 30 EFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001164600205 1312547092 /nfs/dbraw/zinc/54/70/92/1312547092.db2.gz MEASVVUSHOZEHH-UHFFFAOYSA-N 2 2 344.503 2.604 20 30 EFEDLP COC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584317 1312584669 /nfs/dbraw/zinc/58/46/69/1312584669.db2.gz FXHBMOFTFJENAA-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP COC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584317 1312584672 /nfs/dbraw/zinc/58/46/72/1312584672.db2.gz FXHBMOFTFJENAA-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584317 1312584676 /nfs/dbraw/zinc/58/46/76/1312584676.db2.gz FXHBMOFTFJENAA-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277584317 1312584678 /nfs/dbraw/zinc/58/46/78/1312584678.db2.gz FXHBMOFTFJENAA-HXUWFJFHSA-N 2 2 344.503 2.610 20 30 EFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277633485 1312654172 /nfs/dbraw/zinc/65/41/72/1312654172.db2.gz LLMHINUTAMSKCB-AYHJJNSGSA-N 2 2 346.906 2.858 20 30 EFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277633485 1312654175 /nfs/dbraw/zinc/65/41/75/1312654175.db2.gz LLMHINUTAMSKCB-AYHJJNSGSA-N 2 2 346.906 2.858 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636610 1312656263 /nfs/dbraw/zinc/65/62/63/1312656263.db2.gz CEYXBIZTHXNVDD-KRWDZBQOSA-N 2 2 332.492 2.923 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367062 1314484969 /nfs/dbraw/zinc/48/49/69/1314484969.db2.gz NHUBNFZYAODVPZ-OIISXLGYSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367062 1314484972 /nfs/dbraw/zinc/48/49/72/1314484972.db2.gz NHUBNFZYAODVPZ-OIISXLGYSA-N 2 2 341.927 2.686 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450228 1314503150 /nfs/dbraw/zinc/50/31/50/1314503150.db2.gz OCTJCHNJEDSBIK-QZTJIDSGSA-N 2 2 332.492 2.846 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450228 1314503155 /nfs/dbraw/zinc/50/31/55/1314503155.db2.gz OCTJCHNJEDSBIK-QZTJIDSGSA-N 2 2 332.492 2.846 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001245992931 1314561742 /nfs/dbraw/zinc/56/17/42/1314561742.db2.gz FPZOBQGLZOCJBW-FHWLQOOXSA-N 2 2 328.541 2.828 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001245997830 1314562167 /nfs/dbraw/zinc/56/21/67/1314562167.db2.gz WCVXAHFGKFDNPJ-QRVBRYPASA-N 2 2 328.541 2.971 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022756 1314591526 /nfs/dbraw/zinc/59/15/26/1314591526.db2.gz FWTPLUPGDUFTRW-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053022756 1314591536 /nfs/dbraw/zinc/59/15/36/1314591536.db2.gz FWTPLUPGDUFTRW-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246203305 1314597234 /nfs/dbraw/zinc/59/72/34/1314597234.db2.gz SCTYUDQAMRRGNG-YJBOKZPZSA-N 2 2 345.487 2.918 20 30 EFEDLP CCCCCCCCCC[NH2+][C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246210718 1314598083 /nfs/dbraw/zinc/59/80/83/1314598083.db2.gz GMXBICZHESFYCG-IRXDYDNUSA-N 2 2 341.565 2.980 20 30 EFEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccc(CC)cc1 ZINC001246310488 1314608746 /nfs/dbraw/zinc/60/87/46/1314608746.db2.gz GTWJRFYMQUQMIT-APWZRJJASA-N 2 2 332.488 2.996 20 30 EFEDLP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246865284 1314699728 /nfs/dbraw/zinc/69/97/28/1314699728.db2.gz SVOCTBOBRRYKMF-QFBILLFUSA-N 2 2 344.478 2.986 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092586 1314702148 /nfs/dbraw/zinc/70/21/48/1314702148.db2.gz IALPTCJPIAQBMB-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092586 1314702152 /nfs/dbraw/zinc/70/21/52/1314702152.db2.gz IALPTCJPIAQBMB-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093642 1314704716 /nfs/dbraw/zinc/70/47/16/1314704716.db2.gz PDERYBMCFAPQNJ-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053093642 1314704722 /nfs/dbraw/zinc/70/47/22/1314704722.db2.gz PDERYBMCFAPQNJ-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095210 1314706204 /nfs/dbraw/zinc/70/62/04/1314706204.db2.gz YUMBGFZZSLFSCB-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095210 1314706208 /nfs/dbraw/zinc/70/62/08/1314706208.db2.gz YUMBGFZZSLFSCB-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098371 1314712897 /nfs/dbraw/zinc/71/28/97/1314712897.db2.gz MWPLYZIXIMBQOX-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098371 1314712899 /nfs/dbraw/zinc/71/28/99/1314712899.db2.gz MWPLYZIXIMBQOX-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104237 1314725155 /nfs/dbraw/zinc/72/51/55/1314725155.db2.gz DCVBZWABYKXNCF-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104237 1314725158 /nfs/dbraw/zinc/72/51/58/1314725158.db2.gz DCVBZWABYKXNCF-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104581 1314726257 /nfs/dbraw/zinc/72/62/57/1314726257.db2.gz OYWWLJSTQZZHHE-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104581 1314726260 /nfs/dbraw/zinc/72/62/60/1314726260.db2.gz OYWWLJSTQZZHHE-IRXDYDNUSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107133 1314731100 /nfs/dbraw/zinc/73/11/00/1314731100.db2.gz ZSMZLGGPVBUBDG-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053107133 1314731107 /nfs/dbraw/zinc/73/11/07/1314731107.db2.gz ZSMZLGGPVBUBDG-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112503 1314734858 /nfs/dbraw/zinc/73/48/58/1314734858.db2.gz NLWPHMFQIGCNMR-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112503 1314734862 /nfs/dbraw/zinc/73/48/62/1314734862.db2.gz NLWPHMFQIGCNMR-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215003996 1314768073 /nfs/dbraw/zinc/76/80/73/1314768073.db2.gz OZXSMDRHLABXIO-KZNAEPCWSA-N 2 2 344.503 2.628 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008299 1314768616 /nfs/dbraw/zinc/76/86/16/1314768616.db2.gz JKZINODPQGUOLP-FGTMMUONSA-N 2 2 346.519 2.852 20 30 EFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132516 1314786182 /nfs/dbraw/zinc/78/61/82/1314786182.db2.gz JCWONJBRMZYTHY-OWCLPIDISA-N 2 2 326.444 2.739 20 30 EFEDLP Cc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)ccc1C#N ZINC001248252615 1314912712 /nfs/dbraw/zinc/91/27/12/1314912712.db2.gz MDQUCLBMFVYXQR-KRWDZBQOSA-N 2 2 337.427 2.806 20 30 EFEDLP Cc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)ccc1C#N ZINC001248252615 1314912718 /nfs/dbraw/zinc/91/27/18/1314912718.db2.gz MDQUCLBMFVYXQR-KRWDZBQOSA-N 2 2 337.427 2.806 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001054041443 1315207602 /nfs/dbraw/zinc/20/76/02/1315207602.db2.gz MBQQWKZVNOPQHF-WOJBJXKFSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001054041443 1315207605 /nfs/dbraw/zinc/20/76/05/1315207605.db2.gz MBQQWKZVNOPQHF-WOJBJXKFSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001054041443 1315207607 /nfs/dbraw/zinc/20/76/07/1315207607.db2.gz MBQQWKZVNOPQHF-WOJBJXKFSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001054041443 1315207610 /nfs/dbraw/zinc/20/76/10/1315207610.db2.gz MBQQWKZVNOPQHF-WOJBJXKFSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001054041429 1315208180 /nfs/dbraw/zinc/20/81/80/1315208180.db2.gz MBQQWKZVNOPQHF-PMACEKPBSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001054041429 1315208182 /nfs/dbraw/zinc/20/81/82/1315208182.db2.gz MBQQWKZVNOPQHF-PMACEKPBSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001054041429 1315208185 /nfs/dbraw/zinc/20/81/85/1315208185.db2.gz MBQQWKZVNOPQHF-PMACEKPBSA-N 2 2 341.499 2.588 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001054041429 1315208188 /nfs/dbraw/zinc/20/81/88/1315208188.db2.gz MBQQWKZVNOPQHF-PMACEKPBSA-N 2 2 341.499 2.588 20 30 EFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001278588166 1315236171 /nfs/dbraw/zinc/23/61/71/1315236171.db2.gz LUYKDPGFMHZFAK-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001278588166 1315236175 /nfs/dbraw/zinc/23/61/75/1315236175.db2.gz LUYKDPGFMHZFAK-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)c1 ZINC001278588166 1315236178 /nfs/dbraw/zinc/23/61/78/1315236178.db2.gz LUYKDPGFMHZFAK-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)c1 ZINC001278588166 1315236182 /nfs/dbraw/zinc/23/61/82/1315236182.db2.gz LUYKDPGFMHZFAK-NRFANRHFSA-N 2 2 349.482 2.743 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144568 1315362397 /nfs/dbraw/zinc/36/23/97/1315362397.db2.gz WZGWMIKEGQQDIK-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144568 1315362404 /nfs/dbraw/zinc/36/24/04/1315362404.db2.gz WZGWMIKEGQQDIK-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144568 1315362408 /nfs/dbraw/zinc/36/24/08/1315362408.db2.gz WZGWMIKEGQQDIK-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144568 1315362412 /nfs/dbraw/zinc/36/24/12/1315362412.db2.gz WZGWMIKEGQQDIK-IBGZPJMESA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154398 1315379164 /nfs/dbraw/zinc/37/91/64/1315379164.db2.gz UHVCSKWRSYUVJH-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154398 1315379166 /nfs/dbraw/zinc/37/91/66/1315379166.db2.gz UHVCSKWRSYUVJH-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccccc3)CC2)c1 ZINC001252007241 1315403898 /nfs/dbraw/zinc/40/38/98/1315403898.db2.gz AOSVCRRFJDAIJT-NRFANRHFSA-N 2 2 335.451 2.846 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205445 1315453878 /nfs/dbraw/zinc/45/38/78/1315453878.db2.gz RIIJNGNQXGSKHS-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205445 1315453882 /nfs/dbraw/zinc/45/38/82/1315453882.db2.gz RIIJNGNQXGSKHS-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054213075 1315465989 /nfs/dbraw/zinc/46/59/89/1315465989.db2.gz TZXJVEMWHCTMNE-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054213075 1315465994 /nfs/dbraw/zinc/46/59/94/1315465994.db2.gz TZXJVEMWHCTMNE-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054213075 1315465998 /nfs/dbraw/zinc/46/59/98/1315465998.db2.gz TZXJVEMWHCTMNE-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054213075 1315466001 /nfs/dbraw/zinc/46/60/01/1315466001.db2.gz TZXJVEMWHCTMNE-PXNSSMCTSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138222 1315525050 /nfs/dbraw/zinc/52/50/50/1315525050.db2.gz UXNRWTBXYXMEKG-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138222 1315525054 /nfs/dbraw/zinc/52/50/54/1315525054.db2.gz UXNRWTBXYXMEKG-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138222 1315525058 /nfs/dbraw/zinc/52/50/58/1315525058.db2.gz UXNRWTBXYXMEKG-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138222 1315525063 /nfs/dbraw/zinc/52/50/63/1315525063.db2.gz UXNRWTBXYXMEKG-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290718 1315529265 /nfs/dbraw/zinc/52/92/65/1315529265.db2.gz VZUYNLGXJDBXON-UHFFFAOYSA-N 2 2 336.439 2.579 20 30 EFEDLP C=CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2C1 ZINC001054290718 1315529270 /nfs/dbraw/zinc/52/92/70/1315529270.db2.gz VZUYNLGXJDBXON-UHFFFAOYSA-N 2 2 336.439 2.579 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221635055 1315567099 /nfs/dbraw/zinc/56/70/99/1315567099.db2.gz WLADPCAWUSFTOQ-FGTMMUONSA-N 2 2 330.476 2.579 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221635055 1315567102 /nfs/dbraw/zinc/56/71/02/1315567102.db2.gz WLADPCAWUSFTOQ-FGTMMUONSA-N 2 2 330.476 2.579 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208315 1315621635 /nfs/dbraw/zinc/62/16/35/1315621635.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208315 1315621637 /nfs/dbraw/zinc/62/16/37/1315621637.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208315 1315621640 /nfs/dbraw/zinc/62/16/40/1315621640.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208315 1315621642 /nfs/dbraw/zinc/62/16/42/1315621642.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208609 1315622418 /nfs/dbraw/zinc/62/24/18/1315622418.db2.gz DXUGDKQTIIWHHL-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208609 1315622421 /nfs/dbraw/zinc/62/24/21/1315622421.db2.gz DXUGDKQTIIWHHL-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208609 1315622424 /nfs/dbraw/zinc/62/24/24/1315622424.db2.gz DXUGDKQTIIWHHL-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208609 1315622427 /nfs/dbraw/zinc/62/24/27/1315622427.db2.gz DXUGDKQTIIWHHL-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215972 1315634011 /nfs/dbraw/zinc/63/40/11/1315634011.db2.gz ZHNNTGGEWANHSL-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215972 1315634015 /nfs/dbraw/zinc/63/40/15/1315634015.db2.gz ZHNNTGGEWANHSL-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224605 1315644346 /nfs/dbraw/zinc/64/43/46/1315644346.db2.gz HBXLNPCFLPGJOM-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224605 1315644349 /nfs/dbraw/zinc/64/43/49/1315644349.db2.gz HBXLNPCFLPGJOM-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]ccc1OC ZINC001039281931 1315700179 /nfs/dbraw/zinc/70/01/79/1315700179.db2.gz CDUNKJOMPVMIDP-AYHJJNSGSA-N 2 2 343.471 2.711 20 30 EFEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001039284012 1315701118 /nfs/dbraw/zinc/70/11/18/1315701118.db2.gz BGGQAYVGAXSZNY-CSNJMZFVSA-N 2 2 342.487 2.523 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039373457 1315746595 /nfs/dbraw/zinc/74/65/95/1315746595.db2.gz VNMJDGAHUASJJM-IXDOHACOSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373457 1315746598 /nfs/dbraw/zinc/74/65/98/1315746598.db2.gz VNMJDGAHUASJJM-IXDOHACOSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373457 1315746601 /nfs/dbraw/zinc/74/66/01/1315746601.db2.gz VNMJDGAHUASJJM-IXDOHACOSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373457 1315746603 /nfs/dbraw/zinc/74/66/03/1315746603.db2.gz VNMJDGAHUASJJM-IXDOHACOSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001039382859 1315752576 /nfs/dbraw/zinc/75/25/76/1315752576.db2.gz XEVPSDLGDGTNIX-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039382859 1315752578 /nfs/dbraw/zinc/75/25/78/1315752578.db2.gz XEVPSDLGDGTNIX-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039382859 1315752582 /nfs/dbraw/zinc/75/25/82/1315752582.db2.gz XEVPSDLGDGTNIX-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039382859 1315752585 /nfs/dbraw/zinc/75/25/85/1315752585.db2.gz XEVPSDLGDGTNIX-IKGGRYGDSA-N 2 2 339.911 2.679 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392450 1315759930 /nfs/dbraw/zinc/75/99/30/1315759930.db2.gz QQMSXASQFIQZKK-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392450 1315759931 /nfs/dbraw/zinc/75/99/31/1315759931.db2.gz QQMSXASQFIQZKK-SJORKVTESA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001039449081 1315798834 /nfs/dbraw/zinc/79/88/34/1315798834.db2.gz GJOUJQTXFOXLSC-JQHSSLGASA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001039449081 1315798838 /nfs/dbraw/zinc/79/88/38/1315798838.db2.gz GJOUJQTXFOXLSC-JQHSSLGASA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001039449081 1315798842 /nfs/dbraw/zinc/79/88/42/1315798842.db2.gz GJOUJQTXFOXLSC-JQHSSLGASA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001039449081 1315798845 /nfs/dbraw/zinc/79/88/45/1315798845.db2.gz GJOUJQTXFOXLSC-JQHSSLGASA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(Cl)C[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3C)cccc2C1 ZINC001051284104 1315842373 /nfs/dbraw/zinc/84/23/73/1315842373.db2.gz ZTMVENSGHWKQBC-SFHVURJKSA-N 2 2 347.890 2.508 20 30 EFEDLP C=C(Cl)C[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051284104 1315842376 /nfs/dbraw/zinc/84/23/76/1315842376.db2.gz ZTMVENSGHWKQBC-SFHVURJKSA-N 2 2 347.890 2.508 20 30 EFEDLP C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051284104 1315842379 /nfs/dbraw/zinc/84/23/79/1315842379.db2.gz ZTMVENSGHWKQBC-SFHVURJKSA-N 2 2 347.890 2.508 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051284104 1315842381 /nfs/dbraw/zinc/84/23/81/1315842381.db2.gz ZTMVENSGHWKQBC-SFHVURJKSA-N 2 2 347.890 2.508 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378589 1315940032 /nfs/dbraw/zinc/94/00/32/1315940032.db2.gz JJBUPSMELMZIIN-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378589 1315940035 /nfs/dbraw/zinc/94/00/35/1315940035.db2.gz JJBUPSMELMZIIN-KRWDZBQOSA-N 2 2 326.444 2.803 20 30 EFEDLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001256576333 1315962570 /nfs/dbraw/zinc/96/25/70/1315962570.db2.gz GHNMZVSSKFPDQT-UHFFFAOYSA-N 2 2 326.488 2.943 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182422 1316134071 /nfs/dbraw/zinc/13/40/71/1316134071.db2.gz XKVLIFLSCTYPPN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182422 1316134072 /nfs/dbraw/zinc/13/40/72/1316134072.db2.gz XKVLIFLSCTYPPN-LJQANCHMSA-N 2 2 330.476 2.623 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389166 1316237264 /nfs/dbraw/zinc/23/72/64/1316237264.db2.gz SMPACEYOXMRSDH-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040389166 1316237267 /nfs/dbraw/zinc/23/72/67/1316237267.db2.gz SMPACEYOXMRSDH-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425127 1316257066 /nfs/dbraw/zinc/25/70/66/1316257066.db2.gz QBVRTEAIZRAUHV-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425127 1316257068 /nfs/dbraw/zinc/25/70/68/1316257068.db2.gz QBVRTEAIZRAUHV-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425125 1316257280 /nfs/dbraw/zinc/25/72/80/1316257280.db2.gz QBVRTEAIZRAUHV-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425125 1316257281 /nfs/dbraw/zinc/25/72/81/1316257281.db2.gz QBVRTEAIZRAUHV-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C#CCC[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001040747084 1316365857 /nfs/dbraw/zinc/36/58/57/1316365857.db2.gz LKDJNFKTCDIRCX-UHFFFAOYSA-N 2 2 336.439 2.514 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001040792786 1316376251 /nfs/dbraw/zinc/37/62/51/1316376251.db2.gz MFUUBDPVJUCHJO-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040867957 1316392457 /nfs/dbraw/zinc/39/24/57/1316392457.db2.gz LZHZZWZYSDXNRP-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040867205 1316392505 /nfs/dbraw/zinc/39/25/05/1316392505.db2.gz BMHQWYXCHLLCGC-KRWDZBQOSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001263341428 1316534310 /nfs/dbraw/zinc/53/43/10/1316534310.db2.gz NRGQEJCNEQXIAP-DLBZAZTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001263341428 1316534312 /nfs/dbraw/zinc/53/43/12/1316534312.db2.gz NRGQEJCNEQXIAP-DLBZAZTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001263341428 1316534314 /nfs/dbraw/zinc/53/43/14/1316534314.db2.gz NRGQEJCNEQXIAP-DLBZAZTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001263341428 1316534318 /nfs/dbraw/zinc/53/43/18/1316534318.db2.gz NRGQEJCNEQXIAP-DLBZAZTESA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408422 1316543083 /nfs/dbraw/zinc/54/30/83/1316543083.db2.gz VKDDRMWUITVBLZ-GOSISDBHSA-N 2 2 344.846 2.853 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408422 1316543085 /nfs/dbraw/zinc/54/30/85/1316543085.db2.gz VKDDRMWUITVBLZ-GOSISDBHSA-N 2 2 344.846 2.853 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446585 1316553483 /nfs/dbraw/zinc/55/34/83/1316553483.db2.gz UWOFQOFJXNLXTR-SFHVURJKSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446585 1316553484 /nfs/dbraw/zinc/55/34/84/1316553484.db2.gz UWOFQOFJXNLXTR-SFHVURJKSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665525 1316640739 /nfs/dbraw/zinc/64/07/39/1316640739.db2.gz UDGPFNJRYNLUHZ-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665525 1316640740 /nfs/dbraw/zinc/64/07/40/1316640740.db2.gz UDGPFNJRYNLUHZ-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717837 1316662133 /nfs/dbraw/zinc/66/21/33/1316662133.db2.gz UJTWVXQTJIQQHF-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717837 1316662135 /nfs/dbraw/zinc/66/21/35/1316662135.db2.gz UJTWVXQTJIQQHF-MJGOQNOKSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042296378 1317106986 /nfs/dbraw/zinc/10/69/86/1317106986.db2.gz AFQTYOLHUGIRQO-QFBILLFUSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@H]21 ZINC001042296378 1317106992 /nfs/dbraw/zinc/10/69/92/1317106992.db2.gz AFQTYOLHUGIRQO-QFBILLFUSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001821459 1333552842 /nfs/dbraw/zinc/55/28/42/1333552842.db2.gz DPSVKRTXSUBHLS-MRXNPFEDSA-N 2 2 330.476 2.624 20 30 EFEDLP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686374 1334576502 /nfs/dbraw/zinc/57/65/02/1334576502.db2.gz FFRPFEWUGDEBKS-OPQOLIRYSA-N 2 2 344.503 2.754 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001366225886 1337458727 /nfs/dbraw/zinc/45/87/27/1337458727.db2.gz PKBDZSFHMFVSKL-MRXNPFEDSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001366225886 1337458728 /nfs/dbraw/zinc/45/87/28/1337458728.db2.gz PKBDZSFHMFVSKL-MRXNPFEDSA-N 2 2 338.883 2.695 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001367629432 1338888401 /nfs/dbraw/zinc/88/84/01/1338888401.db2.gz CZUNBYPQTUNFQF-KBPBESRZSA-N 2 2 332.835 2.575 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971182 1340316269 /nfs/dbraw/zinc/31/62/69/1340316269.db2.gz PZSVMFKUTNDPSK-HZPDHXFCSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001370971182 1340316272 /nfs/dbraw/zinc/31/62/72/1340316272.db2.gz PZSVMFKUTNDPSK-HZPDHXFCSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001374391789 1341847294 /nfs/dbraw/zinc/84/72/94/1341847294.db2.gz ALVCVSORJWYFGF-ZBFHGGJFSA-N 2 2 338.883 2.633 20 30 EFEDLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC001374918802 1342241131 /nfs/dbraw/zinc/24/11/31/1342241131.db2.gz LOZGYTUZDGCYPA-HNNXBMFYSA-N 2 2 336.439 2.787 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001378403758 1345047932 /nfs/dbraw/zinc/04/79/32/1345047932.db2.gz RPNOOIIVHLKCCX-SFHVURJKSA-N 2 2 346.862 2.883 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001379648080 1347224965 /nfs/dbraw/zinc/22/49/65/1347224965.db2.gz GJPKJKWDAWXVBB-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001379648080 1347224969 /nfs/dbraw/zinc/22/49/69/1347224969.db2.gz GJPKJKWDAWXVBB-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001391763639 1355508889 /nfs/dbraw/zinc/50/88/89/1355508889.db2.gz GKAXZPYYCLUVQS-UHFFFAOYSA-N 2 2 332.835 2.719 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001392190418 1355845889 /nfs/dbraw/zinc/84/58/89/1355845889.db2.gz UGHUAZWDGKWIGP-CABCVRRESA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001392190439 1355845984 /nfs/dbraw/zinc/84/59/84/1355845984.db2.gz UGHUAZWDGKWIGP-HUUCEWRRSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001400144941 1361780299 /nfs/dbraw/zinc/78/02/99/1361780299.db2.gz MEEPHPOXOGXQFX-QGZVFWFLSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001400144941 1361780302 /nfs/dbraw/zinc/78/03/02/1361780302.db2.gz MEEPHPOXOGXQFX-QGZVFWFLSA-N 2 2 341.927 2.928 20 30 EFEDLP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001402891811 1364113725 /nfs/dbraw/zinc/11/37/25/1364113725.db2.gz PMTULXGCPNOFJB-UHFFFAOYSA-N 2 2 338.883 2.655 20 30 EFEDLP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001402891811 1364113728 /nfs/dbraw/zinc/11/37/28/1364113728.db2.gz PMTULXGCPNOFJB-UHFFFAOYSA-N 2 2 338.883 2.655 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001423634360 1382200686 /nfs/dbraw/zinc/20/06/86/1382200686.db2.gz JCAGCZHUBDVORT-QGZVFWFLSA-N 2 2 332.835 2.757 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001424076784 1382735448 /nfs/dbraw/zinc/73/54/48/1382735448.db2.gz LRQMJDSPYNETDW-CYBMUJFWSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494139505 1399160861 /nfs/dbraw/zinc/16/08/61/1399160861.db2.gz ANOXBCJNWUHDDO-CYBMUJFWSA-N 2 2 332.835 2.709 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494139505 1399160863 /nfs/dbraw/zinc/16/08/63/1399160863.db2.gz ANOXBCJNWUHDDO-CYBMUJFWSA-N 2 2 332.835 2.709 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496751486 1400960177 /nfs/dbraw/zinc/96/01/77/1400960177.db2.gz UGCNWIJOXJVMPA-UHFFFAOYSA-N 2 2 329.916 2.641 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496751486 1400960179 /nfs/dbraw/zinc/96/01/79/1400960179.db2.gz UGCNWIJOXJVMPA-UHFFFAOYSA-N 2 2 329.916 2.641 20 30 EFEDLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001567220225 1415999882 /nfs/dbraw/zinc/99/98/82/1415999882.db2.gz SNGTUONXDHMCDO-CQSZACIVSA-N 2 2 347.422 2.733 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156484 712945277 /nfs/dbraw/zinc/94/52/77/712945277.db2.gz UFLPHUAZDVPYAR-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156484 712945278 /nfs/dbraw/zinc/94/52/78/712945278.db2.gz UFLPHUAZDVPYAR-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156484 712945279 /nfs/dbraw/zinc/94/52/79/712945279.db2.gz UFLPHUAZDVPYAR-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156484 712945280 /nfs/dbraw/zinc/94/52/80/712945280.db2.gz UFLPHUAZDVPYAR-DLBZAZTESA-N 2 2 341.927 2.974 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163990 713647850 /nfs/dbraw/zinc/64/78/50/713647850.db2.gz GSXDBPCMLJUWAP-IRXDYDNUSA-N 2 2 342.487 2.576 20 30 EFEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001039163990 713647851 /nfs/dbraw/zinc/64/78/51/713647851.db2.gz GSXDBPCMLJUWAP-IRXDYDNUSA-N 2 2 342.487 2.576 20 30 EFEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970681067 713901208 /nfs/dbraw/zinc/90/12/08/713901208.db2.gz GMBYXVZTWNOFHB-MRXNPFEDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970718894 713931485 /nfs/dbraw/zinc/93/14/85/713931485.db2.gz NERQCJVYDAWNCK-WBVHZDCISA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970718894 713931487 /nfs/dbraw/zinc/93/14/87/713931487.db2.gz NERQCJVYDAWNCK-WBVHZDCISA-N 2 2 341.927 2.830 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587435 714135215 /nfs/dbraw/zinc/13/52/15/714135215.db2.gz KUSCDZWANQFFPR-ROUUACIJSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001021587435 714135218 /nfs/dbraw/zinc/13/52/18/714135218.db2.gz KUSCDZWANQFFPR-ROUUACIJSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602244 714162253 /nfs/dbraw/zinc/16/22/53/714162253.db2.gz GRWSPWOBZSVQCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602244 714162255 /nfs/dbraw/zinc/16/22/55/714162255.db2.gz GRWSPWOBZSVQCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602244 714162258 /nfs/dbraw/zinc/16/22/58/714162258.db2.gz GRWSPWOBZSVQCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602244 714162260 /nfs/dbraw/zinc/16/22/60/714162260.db2.gz GRWSPWOBZSVQCJ-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638370 714220807 /nfs/dbraw/zinc/22/08/07/714220807.db2.gz INFNBQHXEXJADO-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638370 714220808 /nfs/dbraw/zinc/22/08/08/714220808.db2.gz INFNBQHXEXJADO-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723994 714371533 /nfs/dbraw/zinc/37/15/33/714371533.db2.gz HRNZEEAKHUOJDX-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723994 714371536 /nfs/dbraw/zinc/37/15/36/714371536.db2.gz HRNZEEAKHUOJDX-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035690 715458654 /nfs/dbraw/zinc/45/86/54/715458654.db2.gz BVLXLLLLJAYVMO-GDBMZVCRSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035690 715458659 /nfs/dbraw/zinc/45/86/59/715458659.db2.gz BVLXLLLLJAYVMO-GDBMZVCRSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445414 716473181 /nfs/dbraw/zinc/47/31/81/716473181.db2.gz PECNPBQPLABDKE-OAHLLOKOSA-N 2 2 326.444 2.971 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445414 716473182 /nfs/dbraw/zinc/47/31/82/716473182.db2.gz PECNPBQPLABDKE-OAHLLOKOSA-N 2 2 326.444 2.971 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027944455 717380797 /nfs/dbraw/zinc/38/07/97/717380797.db2.gz XNFHUDJHCIRIJD-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027944455 717380799 /nfs/dbraw/zinc/38/07/99/717380799.db2.gz XNFHUDJHCIRIJD-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027944455 717380803 /nfs/dbraw/zinc/38/08/03/717380803.db2.gz XNFHUDJHCIRIJD-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027944455 717380807 /nfs/dbraw/zinc/38/08/07/717380807.db2.gz XNFHUDJHCIRIJD-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994616 717644642 /nfs/dbraw/zinc/64/46/42/717644642.db2.gz XMMISYLQLRRDCR-BHYGNILZSA-N 2 2 338.455 2.969 20 30 EFEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC000979994616 717644645 /nfs/dbraw/zinc/64/46/45/717644645.db2.gz XMMISYLQLRRDCR-BHYGNILZSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980141991 717788335 /nfs/dbraw/zinc/78/83/35/717788335.db2.gz LRUQKKNSZZOACW-BBWFWOEESA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980141991 717788337 /nfs/dbraw/zinc/78/83/37/717788337.db2.gz LRUQKKNSZZOACW-BBWFWOEESA-N 2 2 338.455 2.741 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024488409 717811125 /nfs/dbraw/zinc/81/11/25/717811125.db2.gz YIDQOTUCUSKDBY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024488409 717811131 /nfs/dbraw/zinc/81/11/31/717811131.db2.gz YIDQOTUCUSKDBY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024488409 717811134 /nfs/dbraw/zinc/81/11/34/717811134.db2.gz YIDQOTUCUSKDBY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024488409 717811139 /nfs/dbraw/zinc/81/11/39/717811139.db2.gz YIDQOTUCUSKDBY-PMACEKPBSA-N 2 2 343.515 2.555 20 30 EFEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C1 ZINC000980166851 717831076 /nfs/dbraw/zinc/83/10/76/717831076.db2.gz OXVZVKTYRGOUHM-GBESFXJTSA-N 2 2 339.483 2.860 20 30 EFEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]2C1 ZINC000980166851 717831079 /nfs/dbraw/zinc/83/10/79/717831079.db2.gz OXVZVKTYRGOUHM-GBESFXJTSA-N 2 2 339.483 2.860 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170283 718164417 /nfs/dbraw/zinc/16/44/17/718164417.db2.gz MCNAZBWWGFNPMZ-UONOGXRCSA-N 2 2 332.835 2.946 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170284 718164424 /nfs/dbraw/zinc/16/44/24/718164424.db2.gz MCNAZBWWGFNPMZ-ZIAGYGMSSA-N 2 2 332.835 2.946 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170281 718164435 /nfs/dbraw/zinc/16/44/35/718164435.db2.gz MCNAZBWWGFNPMZ-KBPBESRZSA-N 2 2 332.835 2.946 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025228580 718444197 /nfs/dbraw/zinc/44/41/97/718444197.db2.gz ZADIYALAAVYOKC-SJORKVTESA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025228580 718444198 /nfs/dbraw/zinc/44/41/98/718444198.db2.gz ZADIYALAAVYOKC-SJORKVTESA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235538 718451311 /nfs/dbraw/zinc/45/13/11/718451311.db2.gz ASKRJQJJYMMFIF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235538 718451313 /nfs/dbraw/zinc/45/13/13/718451313.db2.gz ASKRJQJJYMMFIF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235538 718451315 /nfs/dbraw/zinc/45/13/15/718451315.db2.gz ASKRJQJJYMMFIF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235538 718451316 /nfs/dbraw/zinc/45/13/16/718451316.db2.gz ASKRJQJJYMMFIF-ROUUACIJSA-N 2 2 330.476 2.764 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253547 718479303 /nfs/dbraw/zinc/47/93/03/718479303.db2.gz WABYMQVSFIUSMD-MSOLQXFVSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253547 718479309 /nfs/dbraw/zinc/47/93/09/718479309.db2.gz WABYMQVSFIUSMD-MSOLQXFVSA-N 2 2 344.503 2.774 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025489821 719008104 /nfs/dbraw/zinc/00/81/04/719008104.db2.gz OICJTULGDCWTPK-JKSUJKDBSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025489821 719008106 /nfs/dbraw/zinc/00/81/06/719008106.db2.gz OICJTULGDCWTPK-JKSUJKDBSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581274 719162931 /nfs/dbraw/zinc/16/29/31/719162931.db2.gz AZYRSCRYZMJERO-AEFFLSMTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025581274 719162934 /nfs/dbraw/zinc/16/29/34/719162934.db2.gz AZYRSCRYZMJERO-AEFFLSMTSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000981891431 719165229 /nfs/dbraw/zinc/16/52/29/719165229.db2.gz LBCHPMGFEMMYEZ-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000981891431 719165231 /nfs/dbraw/zinc/16/52/31/719165231.db2.gz LBCHPMGFEMMYEZ-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893809 719167264 /nfs/dbraw/zinc/16/72/64/719167264.db2.gz OCYCHFZIEPQYRC-UHFFFAOYSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893809 719167266 /nfs/dbraw/zinc/16/72/66/719167266.db2.gz OCYCHFZIEPQYRC-UHFFFAOYSA-N 2 2 344.846 2.625 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005049 719429007 /nfs/dbraw/zinc/42/90/07/719429007.db2.gz FTNLBNVBPWSBHG-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005049 719429008 /nfs/dbraw/zinc/42/90/08/719429008.db2.gz FTNLBNVBPWSBHG-INIZCTEOSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000982099764 719555515 /nfs/dbraw/zinc/55/55/15/719555515.db2.gz IXFMRLGZKUHIMW-UHFFFAOYSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CC[N@H+]1CCCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC000982099764 719555517 /nfs/dbraw/zinc/55/55/17/719555517.db2.gz IXFMRLGZKUHIMW-UHFFFAOYSA-N 2 2 336.439 2.596 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118353 719576066 /nfs/dbraw/zinc/57/60/66/719576066.db2.gz NZBKCODIOCEDEP-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118353 719576068 /nfs/dbraw/zinc/57/60/68/719576068.db2.gz NZBKCODIOCEDEP-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]12 ZINC001026296285 720176552 /nfs/dbraw/zinc/17/65/52/720176552.db2.gz VTWLZSSHGOHVSH-IVMMDQJWSA-N 2 2 344.846 2.756 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982634140 721029733 /nfs/dbraw/zinc/02/97/33/721029733.db2.gz DCGHYRPUFUQWHK-AHRSYUTCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982634140 721029740 /nfs/dbraw/zinc/02/97/40/721029740.db2.gz DCGHYRPUFUQWHK-AHRSYUTCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982634140 721029742 /nfs/dbraw/zinc/02/97/42/721029742.db2.gz DCGHYRPUFUQWHK-AHRSYUTCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982634140 721029747 /nfs/dbraw/zinc/02/97/47/721029747.db2.gz DCGHYRPUFUQWHK-AHRSYUTCSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573143 721037170 /nfs/dbraw/zinc/03/71/70/721037170.db2.gz JQFKSLHFXFVSQZ-CYBMUJFWSA-N 2 2 341.908 2.614 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573143 721037175 /nfs/dbraw/zinc/03/71/75/721037175.db2.gz JQFKSLHFXFVSQZ-CYBMUJFWSA-N 2 2 341.908 2.614 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974653795 721243808 /nfs/dbraw/zinc/24/38/08/721243808.db2.gz UBZMCLJPQWYYJM-JKSUJKDBSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974653795 721243801 /nfs/dbraw/zinc/24/38/01/721243801.db2.gz UBZMCLJPQWYYJM-JKSUJKDBSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974653795 721243802 /nfs/dbraw/zinc/24/38/02/721243802.db2.gz UBZMCLJPQWYYJM-JKSUJKDBSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974653795 721243806 /nfs/dbraw/zinc/24/38/06/721243806.db2.gz UBZMCLJPQWYYJM-JKSUJKDBSA-N 2 2 341.927 2.543 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974753225 721407147 /nfs/dbraw/zinc/40/71/47/721407147.db2.gz QNTVBNOSVLARJU-CRAIPNDOSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974753225 721407152 /nfs/dbraw/zinc/40/71/52/721407152.db2.gz QNTVBNOSVLARJU-CRAIPNDOSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974753225 721407157 /nfs/dbraw/zinc/40/71/57/721407157.db2.gz QNTVBNOSVLARJU-CRAIPNDOSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974753225 721407159 /nfs/dbraw/zinc/40/71/59/721407159.db2.gz QNTVBNOSVLARJU-CRAIPNDOSA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000986607684 724797339 /nfs/dbraw/zinc/79/73/39/724797339.db2.gz CNASHJOJWOKFRB-PBHICJAKSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC000947800083 723285080 /nfs/dbraw/zinc/28/50/80/723285080.db2.gz FOQNJWMBBOOVLV-DLBZAZTESA-N 2 2 340.471 2.730 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC000947800083 723285084 /nfs/dbraw/zinc/28/50/84/723285084.db2.gz FOQNJWMBBOOVLV-DLBZAZTESA-N 2 2 340.471 2.730 20 30 EFEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992034947 725478383 /nfs/dbraw/zinc/47/83/83/725478383.db2.gz XJGBBXMEKHBGCV-TZIWHRDSSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992034947 725478386 /nfs/dbraw/zinc/47/83/86/725478386.db2.gz XJGBBXMEKHBGCV-TZIWHRDSSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168039 725580824 /nfs/dbraw/zinc/58/08/24/725580824.db2.gz MIRGNHXOAOBMTD-YJBOKZPZSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168039 725580826 /nfs/dbraw/zinc/58/08/26/725580826.db2.gz MIRGNHXOAOBMTD-YJBOKZPZSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168039 725580828 /nfs/dbraw/zinc/58/08/28/725580828.db2.gz MIRGNHXOAOBMTD-YJBOKZPZSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992168039 725580830 /nfs/dbraw/zinc/58/08/30/725580830.db2.gz MIRGNHXOAOBMTD-YJBOKZPZSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC000992742687 726158308 /nfs/dbraw/zinc/15/83/08/726158308.db2.gz FJJFOGIHWBRCSU-YESZJQIVSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC000992755151 726182418 /nfs/dbraw/zinc/18/24/18/726182418.db2.gz WNIZTOSZTUWGEL-UWWQBHOKSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535402 727300071 /nfs/dbraw/zinc/30/00/71/727300071.db2.gz UERWHODLCKKVDK-WMLDXEAASA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535402 727300073 /nfs/dbraw/zinc/30/00/73/727300073.db2.gz UERWHODLCKKVDK-WMLDXEAASA-N 2 2 346.862 2.978 20 30 EFEDLP CSCCC[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912506672 727719413 /nfs/dbraw/zinc/71/94/13/727719413.db2.gz AGSOWXBXBXHJOR-UHFFFAOYSA-N 2 2 325.526 2.750 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991446002 727821713 /nfs/dbraw/zinc/82/17/13/727821713.db2.gz KBWUMRJKZLXUSN-XKGZKEIXSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991446002 727821715 /nfs/dbraw/zinc/82/17/15/727821715.db2.gz KBWUMRJKZLXUSN-XKGZKEIXSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@H]12 ZINC000991470388 727881977 /nfs/dbraw/zinc/88/19/77/727881977.db2.gz HYIXYIAPAHVNQS-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@H]12 ZINC000991470388 727881982 /nfs/dbraw/zinc/88/19/82/727881982.db2.gz HYIXYIAPAHVNQS-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@H]12 ZINC000991470388 727881987 /nfs/dbraw/zinc/88/19/87/727881987.db2.gz HYIXYIAPAHVNQS-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@H]12 ZINC000991470388 727881993 /nfs/dbraw/zinc/88/19/93/727881993.db2.gz HYIXYIAPAHVNQS-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@H]12 ZINC000991475615 727888457 /nfs/dbraw/zinc/88/84/57/727888457.db2.gz SVIKSHLMUFXSAB-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@H]12 ZINC000991475615 727888460 /nfs/dbraw/zinc/88/84/60/727888460.db2.gz SVIKSHLMUFXSAB-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@H]12 ZINC000991475615 727888464 /nfs/dbraw/zinc/88/84/64/727888464.db2.gz SVIKSHLMUFXSAB-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@H]12 ZINC000991475615 727888469 /nfs/dbraw/zinc/88/84/69/727888469.db2.gz SVIKSHLMUFXSAB-MOXGXCLJSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991475948 727888692 /nfs/dbraw/zinc/88/86/92/727888692.db2.gz UPDSTVGJZLEOFC-IMFGXOCKSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991475948 727888696 /nfs/dbraw/zinc/88/86/96/727888696.db2.gz UPDSTVGJZLEOFC-IMFGXOCKSA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315039 728129483 /nfs/dbraw/zinc/12/94/83/728129483.db2.gz MEMBFCQNGKMVJW-PBHICJAKSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315039 728129486 /nfs/dbraw/zinc/12/94/86/728129486.db2.gz MEMBFCQNGKMVJW-PBHICJAKSA-N 2 2 326.444 2.802 20 30 EFEDLP CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)ccc1OC ZINC001576931489 1089533269 /nfs/dbraw/zinc/53/32/69/1089533269.db2.gz LFCPNSXUZHHJRX-OLZOCXBDSA-N 2 2 345.365 2.745 20 30 EFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001579581011 1090636684 /nfs/dbraw/zinc/63/66/84/1090636684.db2.gz CIHYLEJBKZPFDX-BHIYHBOVSA-N 2 2 342.487 2.798 20 30 EFEDLP N#Cc1cccc([C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001580075960 1090764986 /nfs/dbraw/zinc/76/49/86/1090764986.db2.gz LVCQYECSVHMWEX-SFHVURJKSA-N 2 2 339.464 2.839 20 30 EFEDLP N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC001580075960 1090764988 /nfs/dbraw/zinc/76/49/88/1090764988.db2.gz LVCQYECSVHMWEX-SFHVURJKSA-N 2 2 339.464 2.839 20 30 EFEDLP N#Cc1ccccc1NC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001580080492 1090766794 /nfs/dbraw/zinc/76/67/94/1090766794.db2.gz UMQMUHWSGFUFBT-UYAOXDASSA-N 2 2 348.450 2.622 20 30 EFEDLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccc(C#N)cc1 ZINC001267138703 1092879776 /nfs/dbraw/zinc/87/97/76/1092879776.db2.gz ZUPGSNZDURVFJC-OAHLLOKOSA-N 2 2 347.422 2.504 20 30 EFEDLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC001650154858 1092982131 /nfs/dbraw/zinc/98/21/31/1092982131.db2.gz VGWNTRWHMGHDRL-SJORKVTESA-N 2 2 326.444 2.594 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461727 1093331584 /nfs/dbraw/zinc/33/15/84/1093331584.db2.gz PUGGRWOGARVNKX-SFHVURJKSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461727 1093331588 /nfs/dbraw/zinc/33/15/88/1093331588.db2.gz PUGGRWOGARVNKX-SFHVURJKSA-N 2 2 344.503 2.800 20 30 EFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001211613229 1094287411 /nfs/dbraw/zinc/28/74/11/1094287411.db2.gz DBPJQYOGMFDEJA-RBUKOAKNSA-N 2 2 338.455 2.503 20 30 EFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211613229 1094287418 /nfs/dbraw/zinc/28/74/18/1094287418.db2.gz DBPJQYOGMFDEJA-RBUKOAKNSA-N 2 2 338.455 2.503 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665048 1094558296 /nfs/dbraw/zinc/55/82/96/1094558296.db2.gz IGHCANLEHJENRK-ZACQAIPSSA-N 2 2 344.503 2.870 20 30 EFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665134 1094558909 /nfs/dbraw/zinc/55/89/09/1094558909.db2.gz MZZNRUHLVFIYKA-ZACQAIPSSA-N 2 2 344.503 2.870 20 30 EFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738092 1094794121 /nfs/dbraw/zinc/79/41/21/1094794121.db2.gz FSVSYBKRRKQPJF-FVQBIDKESA-N 2 2 338.883 2.661 20 30 EFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738093 1094795014 /nfs/dbraw/zinc/79/50/14/1094795014.db2.gz FSVSYBKRRKQPJF-VNQPRFMTSA-N 2 2 338.883 2.661 20 30 EFEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161191 1095011101 /nfs/dbraw/zinc/01/11/01/1095011101.db2.gz PUBMWWYRPSFKLW-IAGOWNOFSA-N 2 2 338.455 2.931 20 30 EFEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783031749 1095337541 /nfs/dbraw/zinc/33/75/41/1095337541.db2.gz XLIKBLWZKBFDPM-FQEVSTJZSA-N 2 2 338.455 2.981 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181001 1095917125 /nfs/dbraw/zinc/91/71/25/1095917125.db2.gz LKRKQFROIPLNER-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181001 1095917139 /nfs/dbraw/zinc/91/71/39/1095917139.db2.gz LKRKQFROIPLNER-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181001 1095917150 /nfs/dbraw/zinc/91/71/50/1095917150.db2.gz LKRKQFROIPLNER-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181001 1095917162 /nfs/dbraw/zinc/91/71/62/1095917162.db2.gz LKRKQFROIPLNER-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942483 1097569223 /nfs/dbraw/zinc/56/92/23/1097569223.db2.gz RQQDGCRFUAVGHM-UHFFFAOYSA-N 2 2 346.519 2.975 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954685 1099156474 /nfs/dbraw/zinc/15/64/74/1099156474.db2.gz OIRMVVYJUSJPLI-BFYDXBDKSA-N 2 2 332.492 2.690 20 30 EFEDLP C[C@H]1CC([NH+]2CCN(CCC#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051110 1101497148 /nfs/dbraw/zinc/49/71/48/1101497148.db2.gz GFOYESVSSCUFMT-OALUTQOASA-N 2 2 340.515 2.959 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001167456023 1101971427 /nfs/dbraw/zinc/97/14/27/1101971427.db2.gz OARRONAATCGAID-UHFFFAOYSA-N 2 2 340.471 2.637 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001088317581 1102886097 /nfs/dbraw/zinc/88/60/97/1102886097.db2.gz HVKLKEKVGONWOU-KRWDZBQOSA-N 2 2 344.503 2.699 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001088317582 1102886107 /nfs/dbraw/zinc/88/61/07/1102886107.db2.gz HVKLKEKVGONWOU-QGZVFWFLSA-N 2 2 344.503 2.699 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338773 1103015897 /nfs/dbraw/zinc/01/58/97/1103015897.db2.gz NMLSEEMBQCZDNC-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338773 1103015908 /nfs/dbraw/zinc/01/59/08/1103015908.db2.gz NMLSEEMBQCZDNC-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338774 1103016377 /nfs/dbraw/zinc/01/63/77/1103016377.db2.gz NMLSEEMBQCZDNC-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338774 1103016387 /nfs/dbraw/zinc/01/63/87/1103016387.db2.gz NMLSEEMBQCZDNC-SJORKVTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001665001286 1104610680 /nfs/dbraw/zinc/61/06/80/1104610680.db2.gz TVJJHBDEHYPGTD-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001665001286 1104610683 /nfs/dbraw/zinc/61/06/83/1104610683.db2.gz TVJJHBDEHYPGTD-QZTJIDSGSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622089 1105523237 /nfs/dbraw/zinc/52/32/37/1105523237.db2.gz GTGKZJHZNFZQEE-PVAVHDDUSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622089 1105523245 /nfs/dbraw/zinc/52/32/45/1105523245.db2.gz GTGKZJHZNFZQEE-PVAVHDDUSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622089 1105523249 /nfs/dbraw/zinc/52/32/49/1105523249.db2.gz GTGKZJHZNFZQEE-PVAVHDDUSA-N 2 2 339.911 2.725 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622089 1105523254 /nfs/dbraw/zinc/52/32/54/1105523254.db2.gz GTGKZJHZNFZQEE-PVAVHDDUSA-N 2 2 339.911 2.725 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088631647 1105588801 /nfs/dbraw/zinc/58/88/01/1105588801.db2.gz XVLHGXPTFSQMCC-HOJAQTOUSA-N 2 2 343.515 2.554 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088631647 1105588805 /nfs/dbraw/zinc/58/88/05/1105588805.db2.gz XVLHGXPTFSQMCC-HOJAQTOUSA-N 2 2 343.515 2.554 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088631647 1105588810 /nfs/dbraw/zinc/58/88/10/1105588810.db2.gz XVLHGXPTFSQMCC-HOJAQTOUSA-N 2 2 343.515 2.554 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088631647 1105588814 /nfs/dbraw/zinc/58/88/14/1105588814.db2.gz XVLHGXPTFSQMCC-HOJAQTOUSA-N 2 2 343.515 2.554 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239492 1105633367 /nfs/dbraw/zinc/63/33/67/1105633367.db2.gz XFYGLKMCSKANJQ-GDBMZVCRSA-N 2 2 344.846 2.817 20 30 EFEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532210 1105894836 /nfs/dbraw/zinc/89/48/36/1105894836.db2.gz IPEMXJJWSCHOAS-KRWDZBQOSA-N 2 2 342.487 2.507 20 30 EFEDLP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576438 1105964447 /nfs/dbraw/zinc/96/44/47/1105964447.db2.gz CNRVKVFVPFCGQO-SFHVURJKSA-N 2 2 344.503 2.978 20 30 EFEDLP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105585295 1105971528 /nfs/dbraw/zinc/97/15/28/1105971528.db2.gz NPGFCZKCHUJNRE-SFHVURJKSA-N 2 2 344.503 2.990 20 30 EFEDLP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297947 1106389723 /nfs/dbraw/zinc/38/97/23/1106389723.db2.gz QNVBOYZNAPMLIT-ACBHZAAOSA-N 2 2 330.472 2.789 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862794 1106764344 /nfs/dbraw/zinc/76/43/44/1106764344.db2.gz UOJPGHDXFYAPRW-QAPCUYQASA-N 2 2 349.906 2.736 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862794 1106764354 /nfs/dbraw/zinc/76/43/54/1106764354.db2.gz UOJPGHDXFYAPRW-QAPCUYQASA-N 2 2 349.906 2.736 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272478482 1108452226 /nfs/dbraw/zinc/45/22/26/1108452226.db2.gz LCVGRGFYOMTGEX-IBGZPJMESA-N 2 2 332.492 2.815 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272478482 1108452236 /nfs/dbraw/zinc/45/22/36/1108452236.db2.gz LCVGRGFYOMTGEX-IBGZPJMESA-N 2 2 332.492 2.815 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990716237 1108886763 /nfs/dbraw/zinc/88/67/63/1108886763.db2.gz XHOVWYCFOWJWRA-FXAWDEMLSA-N 2 2 338.455 2.946 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@H]12 ZINC000990716237 1108886768 /nfs/dbraw/zinc/88/67/68/1108886768.db2.gz XHOVWYCFOWJWRA-FXAWDEMLSA-N 2 2 338.455 2.946 20 30 EFEDLP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224786 1111505888 /nfs/dbraw/zinc/50/58/88/1111505888.db2.gz IDDSDSSDXVJEIK-HZPDHXFCSA-N 2 2 343.943 2.932 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224786 1111505892 /nfs/dbraw/zinc/50/58/92/1111505892.db2.gz IDDSDSSDXVJEIK-HZPDHXFCSA-N 2 2 343.943 2.932 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419425 1111510517 /nfs/dbraw/zinc/51/05/17/1111510517.db2.gz KMMJMLZHPPRYGG-IXDOHACOSA-N 2 2 340.471 2.987 20 30 EFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876852 1111947234 /nfs/dbraw/zinc/94/72/34/1111947234.db2.gz AFXBCASZKMFHJS-IAGOWNOFSA-N 2 2 334.508 2.617 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416777 1112092422 /nfs/dbraw/zinc/09/24/22/1112092422.db2.gz PNFVRLXCUGDLCM-QGZVFWFLSA-N 2 2 344.503 2.557 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416777 1112092424 /nfs/dbraw/zinc/09/24/24/1112092424.db2.gz PNFVRLXCUGDLCM-QGZVFWFLSA-N 2 2 344.503 2.557 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416984 1112093785 /nfs/dbraw/zinc/09/37/85/1112093785.db2.gz SZIUMQPMCOVABD-QGZVFWFLSA-N 2 2 344.503 2.557 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089416984 1112093787 /nfs/dbraw/zinc/09/37/87/1112093787.db2.gz SZIUMQPMCOVABD-QGZVFWFLSA-N 2 2 344.503 2.557 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421373 1112101921 /nfs/dbraw/zinc/10/19/21/1112101921.db2.gz TVICVFKVQJPCCU-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089421373 1112101925 /nfs/dbraw/zinc/10/19/25/1112101925.db2.gz TVICVFKVQJPCCU-MRXNPFEDSA-N 2 2 338.455 2.807 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423357 1112107486 /nfs/dbraw/zinc/10/74/86/1112107486.db2.gz ILILBRUQIYKFRA-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC(C)(C)C1 ZINC001089423357 1112107487 /nfs/dbraw/zinc/10/74/87/1112107487.db2.gz ILILBRUQIYKFRA-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089440894 1112150088 /nfs/dbraw/zinc/15/00/88/1112150088.db2.gz CUPIQRYJHZRHRM-OAHLLOKOSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089440894 1112150089 /nfs/dbraw/zinc/15/00/89/1112150089.db2.gz CUPIQRYJHZRHRM-OAHLLOKOSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488730 1112221537 /nfs/dbraw/zinc/22/15/37/1112221537.db2.gz XGKWLWDYUDGHFI-HUUCEWRRSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089488730 1112221538 /nfs/dbraw/zinc/22/15/38/1112221538.db2.gz XGKWLWDYUDGHFI-HUUCEWRRSA-N 2 2 330.476 2.622 20 30 EFEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127548249 1112350893 /nfs/dbraw/zinc/35/08/93/1112350893.db2.gz ZYADFWYQCNXUAJ-QZTJIDSGSA-N 2 2 346.519 2.830 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657292 1112578110 /nfs/dbraw/zinc/57/81/10/1112578110.db2.gz CIRUUGLLIJDVDC-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001089657292 1112578115 /nfs/dbraw/zinc/57/81/15/1112578115.db2.gz CIRUUGLLIJDVDC-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089660262 1112593127 /nfs/dbraw/zinc/59/31/27/1112593127.db2.gz GAQUXUJMQBCBFK-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001089660262 1112593132 /nfs/dbraw/zinc/59/31/32/1112593132.db2.gz GAQUXUJMQBCBFK-IRXDYDNUSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658505 1112598541 /nfs/dbraw/zinc/59/85/41/1112598541.db2.gz LGVISMHYHNTJTM-HNNXBMFYSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658505 1112598544 /nfs/dbraw/zinc/59/85/44/1112598544.db2.gz LGVISMHYHNTJTM-HNNXBMFYSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661386 1112612254 /nfs/dbraw/zinc/61/22/54/1112612254.db2.gz WWDYHKMGFVHFKH-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001089661386 1112612255 /nfs/dbraw/zinc/61/22/55/1112612255.db2.gz WWDYHKMGFVHFKH-DLBZAZTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001484980001 1117921241 /nfs/dbraw/zinc/92/12/41/1117921241.db2.gz FNEPGNBHTNJBRI-GDBMZVCRSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001484980001 1117921242 /nfs/dbraw/zinc/92/12/42/1117921242.db2.gz FNEPGNBHTNJBRI-GDBMZVCRSA-N 2 2 338.883 2.693 20 30 EFEDLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C#N ZINC001484994757 1117930024 /nfs/dbraw/zinc/93/00/24/1117930024.db2.gz YEPPWPRUWKFSDS-AWEZNQCLSA-N 2 2 347.422 2.733 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942538447 1118940204 /nfs/dbraw/zinc/94/02/04/1118940204.db2.gz PULABLBATWSBHN-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942538447 1118940208 /nfs/dbraw/zinc/94/02/08/1118940208.db2.gz PULABLBATWSBHN-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875569 1119765996 /nfs/dbraw/zinc/76/59/96/1119765996.db2.gz DTGHDUHETSWDRC-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875569 1119766000 /nfs/dbraw/zinc/76/60/00/1119766000.db2.gz DTGHDUHETSWDRC-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875266 1119766028 /nfs/dbraw/zinc/76/60/28/1119766028.db2.gz CVPYFFILRXAFIV-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943875266 1119766032 /nfs/dbraw/zinc/76/60/32/1119766032.db2.gz CVPYFFILRXAFIV-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090524 1120560942 /nfs/dbraw/zinc/56/09/42/1120560942.db2.gz KXNGDKFLXUDCSO-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090524 1120560945 /nfs/dbraw/zinc/56/09/45/1120560945.db2.gz KXNGDKFLXUDCSO-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090524 1120560950 /nfs/dbraw/zinc/56/09/50/1120560950.db2.gz KXNGDKFLXUDCSO-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945090524 1120560953 /nfs/dbraw/zinc/56/09/53/1120560953.db2.gz KXNGDKFLXUDCSO-WBVHZDCISA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092792 1120569513 /nfs/dbraw/zinc/56/95/13/1120569513.db2.gz QYTXJJXXIARUTE-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092792 1120569515 /nfs/dbraw/zinc/56/95/15/1120569515.db2.gz QYTXJJXXIARUTE-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092792 1120569519 /nfs/dbraw/zinc/56/95/19/1120569519.db2.gz QYTXJJXXIARUTE-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945092792 1120569524 /nfs/dbraw/zinc/56/95/24/1120569524.db2.gz QYTXJJXXIARUTE-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3nccs3)CC2)cc1 ZINC000181632842 234259833 /nfs/dbraw/zinc/25/98/33/234259833.db2.gz YTSKPDMKZVJTMX-UHFFFAOYSA-N 2 2 326.469 2.811 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000181798476 234325707 /nfs/dbraw/zinc/32/57/07/234325707.db2.gz ULUFTJBKLXTWQE-AZUAARDMSA-N 2 2 327.472 2.663 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130518589 223158973 /nfs/dbraw/zinc/15/89/73/223158973.db2.gz KUTJVDBSKCUDTA-UHFFFAOYSA-N 2 2 345.834 2.677 20 30 EFEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130518589 223158975 /nfs/dbraw/zinc/15/89/75/223158975.db2.gz KUTJVDBSKCUDTA-UHFFFAOYSA-N 2 2 345.834 2.677 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719996 216300250 /nfs/dbraw/zinc/30/02/50/216300250.db2.gz PYEPAXUZELXKMY-SJLPKXTDSA-N 2 2 340.471 2.693 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719996 216300252 /nfs/dbraw/zinc/30/02/52/216300252.db2.gz PYEPAXUZELXKMY-SJLPKXTDSA-N 2 2 340.471 2.693 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)N(C)CCCc2[nH+]ccn2CCC)CC1 ZINC000192386268 240042745 /nfs/dbraw/zinc/04/27/45/240042745.db2.gz GTNLHVKSAGZHKE-UHFFFAOYSA-N 2 2 347.507 2.518 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247096602 240276903 /nfs/dbraw/zinc/27/69/03/240276903.db2.gz UYYWZCNINDEBSK-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247096602 240276907 /nfs/dbraw/zinc/27/69/07/240276907.db2.gz UYYWZCNINDEBSK-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247096602 240276912 /nfs/dbraw/zinc/27/69/12/240276912.db2.gz UYYWZCNINDEBSK-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247096602 240276916 /nfs/dbraw/zinc/27/69/16/240276916.db2.gz UYYWZCNINDEBSK-NNVNDSJASA-N 2 2 348.535 2.579 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000248180799 240288259 /nfs/dbraw/zinc/28/82/59/240288259.db2.gz WJGNCKWYSVBKJM-GHTZIAJQSA-N 3 2 342.531 2.922 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000248180799 240288266 /nfs/dbraw/zinc/28/82/66/240288266.db2.gz WJGNCKWYSVBKJM-GHTZIAJQSA-N 3 2 342.531 2.922 20 30 EFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H](C)Cc1ccc(C)s1 ZINC000261827978 240327927 /nfs/dbraw/zinc/32/79/27/240327927.db2.gz VEXLUSGYACRPOB-ZDUSSCGKSA-N 2 2 345.516 2.886 20 30 EFEDLP C[NH+]=C(NCc1ccc(C)s1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261945118 240333313 /nfs/dbraw/zinc/33/33/13/240333313.db2.gz FQPFTWHPVKZQLV-CJNGLKHVSA-N 2 2 331.489 2.912 20 30 EFEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261979179 240335594 /nfs/dbraw/zinc/33/55/94/240335594.db2.gz HHFJWZRPRFQLSB-UHFFFAOYSA-N 2 2 346.438 2.991 20 30 EFEDLP C[NH+]=C(NCc1sccc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262005897 240338950 /nfs/dbraw/zinc/33/89/50/240338950.db2.gz VOZOLKXRXYMHSO-DZGCQCFKSA-N 2 2 331.489 2.912 20 30 EFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1c[nH+]ccc1OC)C(C)C ZINC000294352843 241042649 /nfs/dbraw/zinc/04/26/49/241042649.db2.gz UVCPILZSHXKNRY-KRWDZBQOSA-N 2 2 346.475 2.588 20 30 EFEDLP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000328787251 241241439 /nfs/dbraw/zinc/24/14/39/241241439.db2.gz OVOXLVVCVBRSQN-MRXNPFEDSA-N 2 2 346.475 2.639 20 30 EFEDLP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000328787251 241241449 /nfs/dbraw/zinc/24/14/49/241241449.db2.gz OVOXLVVCVBRSQN-MRXNPFEDSA-N 2 2 346.475 2.639 20 30 EFEDLP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000328787250 241242172 /nfs/dbraw/zinc/24/21/72/241242172.db2.gz OVOXLVVCVBRSQN-INIZCTEOSA-N 2 2 346.475 2.639 20 30 EFEDLP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000328787250 241242180 /nfs/dbraw/zinc/24/21/80/241242180.db2.gz OVOXLVVCVBRSQN-INIZCTEOSA-N 2 2 346.475 2.639 20 30 EFEDLP C[C@H](C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[NH+]1CCCCCC1 ZINC000329217935 241326248 /nfs/dbraw/zinc/32/62/48/241326248.db2.gz RCLBMCUDHACIJP-INMHGKMJSA-N 2 2 334.464 2.861 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061020 242215827 /nfs/dbraw/zinc/21/58/27/242215827.db2.gz YBKFRQRZOLXRQI-SFHVURJKSA-N 2 2 344.503 2.964 20 30 EFEDLP C=CCSc1ccccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362395909 242254296 /nfs/dbraw/zinc/25/42/96/242254296.db2.gz KVSMOEWUJXSEAL-UHFFFAOYSA-N 2 2 347.528 2.721 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC(F)(F)[C@@H]3O)CC2)cc1 ZINC000414306834 244080604 /nfs/dbraw/zinc/08/06/04/244080604.db2.gz TYFLFGHYLRWBDP-ZWKOTPCHSA-N 2 2 349.425 2.661 20 30 EFEDLP Cc1cc(C)c(C#N)c(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000433524355 248069133 /nfs/dbraw/zinc/06/91/33/248069133.db2.gz IKVPXALIVKGIFB-UHFFFAOYSA-N 2 2 341.503 2.565 20 30 EFEDLP Cc1cc(C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000443999803 250247680 /nfs/dbraw/zinc/24/76/80/250247680.db2.gz DQCRQQGCLJVSFL-NHCUHLMSSA-N 2 2 335.451 2.592 20 30 EFEDLP Cc1cc(C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1C#N ZINC000443999803 250247684 /nfs/dbraw/zinc/24/76/84/250247684.db2.gz DQCRQQGCLJVSFL-NHCUHLMSSA-N 2 2 335.451 2.592 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000266152442 285191631 /nfs/dbraw/zinc/19/16/31/285191631.db2.gz XEKCSUSQQZAGNH-OAHLLOKOSA-N 2 2 346.450 2.535 20 30 EFEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000153901508 224174532 /nfs/dbraw/zinc/17/45/32/224174532.db2.gz MBXRKKRDFYVTKQ-HNNXBMFYSA-N 2 2 326.362 2.820 20 30 EFEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000153901508 224174535 /nfs/dbraw/zinc/17/45/35/224174535.db2.gz MBXRKKRDFYVTKQ-HNNXBMFYSA-N 2 2 326.362 2.820 20 30 EFEDLP C#CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000294095595 533192273 /nfs/dbraw/zinc/19/22/73/533192273.db2.gz RUNFFMMHEKPVAA-YOFSQIOKSA-N 2 2 342.483 2.772 20 30 EFEDLP C#CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000294095595 533192274 /nfs/dbraw/zinc/19/22/74/533192274.db2.gz RUNFFMMHEKPVAA-YOFSQIOKSA-N 2 2 342.483 2.772 20 30 EFEDLP C#CCOc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000294095595 533192276 /nfs/dbraw/zinc/19/22/76/533192276.db2.gz RUNFFMMHEKPVAA-YOFSQIOKSA-N 2 2 342.483 2.772 20 30 EFEDLP C#CCOc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000294095595 533192280 /nfs/dbraw/zinc/19/22/80/533192280.db2.gz RUNFFMMHEKPVAA-YOFSQIOKSA-N 2 2 342.483 2.772 20 30 EFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144068 145378402 /nfs/dbraw/zinc/37/84/02/145378402.db2.gz SSCKHZLESGCNEP-DYESRHJHSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144068 145378404 /nfs/dbraw/zinc/37/84/04/145378404.db2.gz SSCKHZLESGCNEP-DYESRHJHSA-N 2 2 335.451 2.846 20 30 EFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248193 151307899 /nfs/dbraw/zinc/30/78/99/151307899.db2.gz AKSUWCIBYMGSJS-UWJYYQICSA-N 2 2 334.467 2.996 20 30 EFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248193 151307900 /nfs/dbraw/zinc/30/79/00/151307900.db2.gz AKSUWCIBYMGSJS-UWJYYQICSA-N 2 2 334.467 2.996 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000158634554 225056348 /nfs/dbraw/zinc/05/63/48/225056348.db2.gz KLAFDXJBTVJXOQ-SFHVURJKSA-N 2 2 344.503 2.667 20 30 EFEDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000158634554 225056353 /nfs/dbraw/zinc/05/63/53/225056353.db2.gz KLAFDXJBTVJXOQ-SFHVURJKSA-N 2 2 344.503 2.667 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453261628 270028776 /nfs/dbraw/zinc/02/87/76/270028776.db2.gz KEHLUBZRQVZAML-UYAOXDASSA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453261628 270028778 /nfs/dbraw/zinc/02/87/78/270028778.db2.gz KEHLUBZRQVZAML-UYAOXDASSA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453261627 270028794 /nfs/dbraw/zinc/02/87/94/270028794.db2.gz KEHLUBZRQVZAML-QUCCMNQESA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453261627 270028795 /nfs/dbraw/zinc/02/87/95/270028795.db2.gz KEHLUBZRQVZAML-QUCCMNQESA-N 2 2 327.472 2.762 20 30 EFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874349 266152892 /nfs/dbraw/zinc/15/28/92/266152892.db2.gz SUUJLMQMPBBNTL-CZUORRHYSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874349 266152893 /nfs/dbraw/zinc/15/28/93/266152893.db2.gz SUUJLMQMPBBNTL-CZUORRHYSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874349 266152894 /nfs/dbraw/zinc/15/28/94/266152894.db2.gz SUUJLMQMPBBNTL-CZUORRHYSA-N 2 2 348.878 2.955 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000330874349 266152897 /nfs/dbraw/zinc/15/28/97/266152897.db2.gz SUUJLMQMPBBNTL-CZUORRHYSA-N 2 2 348.878 2.955 20 30 EFEDLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000285683306 267013838 /nfs/dbraw/zinc/01/38/38/267013838.db2.gz OBCWDWIMIPIJJX-QGZVFWFLSA-N 2 2 326.488 2.849 20 30 EFEDLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000285683306 267013841 /nfs/dbraw/zinc/01/38/41/267013841.db2.gz OBCWDWIMIPIJJX-QGZVFWFLSA-N 2 2 326.488 2.849 20 30 EFEDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156548577 267022006 /nfs/dbraw/zinc/02/20/06/267022006.db2.gz PBWXKPYOMBQIME-QAPCUYQASA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156548577 267022012 /nfs/dbraw/zinc/02/20/12/267022012.db2.gz PBWXKPYOMBQIME-QAPCUYQASA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271844110 267078120 /nfs/dbraw/zinc/07/81/20/267078120.db2.gz HJEIEAKUIGDOLG-APWZRJJASA-N 2 2 327.472 2.927 20 30 EFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000277408920 267175759 /nfs/dbraw/zinc/17/57/59/267175759.db2.gz ZYGGIYSGQHBUEO-MRXNPFEDSA-N 2 2 325.416 2.524 20 30 EFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000277408920 267175762 /nfs/dbraw/zinc/17/57/62/267175762.db2.gz ZYGGIYSGQHBUEO-MRXNPFEDSA-N 2 2 325.416 2.524 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280286999 273486030 /nfs/dbraw/zinc/48/60/30/273486030.db2.gz TXDYXHXGCXWQSW-CQSZACIVSA-N 2 2 326.444 2.672 20 30 EFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(C)C ZINC000455462792 276891745 /nfs/dbraw/zinc/89/17/45/276891745.db2.gz DLJSZZZMOOTNHQ-BRWVUGGUSA-N 2 2 345.491 2.887 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(C#N)s3)c2cc1C ZINC000553457324 318284150 /nfs/dbraw/zinc/28/41/50/318284150.db2.gz OMDSLHWEHPEPFU-AWEZNQCLSA-N 2 2 340.452 2.737 20 30 EFEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000575229220 319936548 /nfs/dbraw/zinc/93/65/48/319936548.db2.gz CUBMUOSOZNNUGU-UHFFFAOYSA-N 2 2 349.438 2.858 20 30 EFEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)N[C@@H]1CCOc2ccccc21 ZINC000083032049 473316192 /nfs/dbraw/zinc/31/61/92/473316192.db2.gz IFDPMGDKOKKKQV-CQSZACIVSA-N 2 2 335.411 2.534 20 30 EFEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCOc2ccccc21 ZINC000083035625 473317228 /nfs/dbraw/zinc/31/72/28/473317228.db2.gz CTHNEEMHSVMYED-INIZCTEOSA-N 2 2 339.443 2.702 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154745018 472468231 /nfs/dbraw/zinc/46/82/31/472468231.db2.gz CWBQLDSHBQGADF-IBGZPJMESA-N 2 2 333.520 2.631 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154745018 472468238 /nfs/dbraw/zinc/46/82/38/472468238.db2.gz CWBQLDSHBQGADF-IBGZPJMESA-N 2 2 333.520 2.631 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069948971 472472141 /nfs/dbraw/zinc/47/21/41/472472141.db2.gz PMUZYQWUEJTQFV-UONOGXRCSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069948971 472472146 /nfs/dbraw/zinc/47/21/46/472472146.db2.gz PMUZYQWUEJTQFV-UONOGXRCSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000069948971 472472152 /nfs/dbraw/zinc/47/21/52/472472152.db2.gz PMUZYQWUEJTQFV-UONOGXRCSA-N 2 2 348.878 2.812 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000069948971 472472157 /nfs/dbraw/zinc/47/21/57/472472157.db2.gz PMUZYQWUEJTQFV-UONOGXRCSA-N 2 2 348.878 2.812 20 30 EFEDLP C[NH+](C)C1CC[NH+](CCNc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613426908 479995343 /nfs/dbraw/zinc/99/53/43/479995343.db2.gz LTWCMUUMFPCGQN-UHFFFAOYSA-N 2 2 329.492 2.689 20 30 EFEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148544 472638981 /nfs/dbraw/zinc/63/89/81/472638981.db2.gz KTXJXMYHNURQNK-SFHVURJKSA-N 2 2 349.482 2.713 20 30 EFEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148544 472638989 /nfs/dbraw/zinc/63/89/89/472638989.db2.gz KTXJXMYHNURQNK-SFHVURJKSA-N 2 2 349.482 2.713 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)ccc1OC ZINC000120337769 472670414 /nfs/dbraw/zinc/67/04/14/472670414.db2.gz VCCCZZGFKBJVGQ-KRWDZBQOSA-N 2 2 348.487 2.708 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000104717709 472687170 /nfs/dbraw/zinc/68/71/70/472687170.db2.gz FUMKVPDSQXXLGZ-UHFFFAOYSA-N 2 2 347.422 2.537 20 30 EFEDLP N#CCCn1cc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000072713307 472703858 /nfs/dbraw/zinc/70/38/58/472703858.db2.gz ORIFMHRYRLIECC-UHFFFAOYSA-N 2 2 334.427 2.840 20 30 EFEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017534 473028787 /nfs/dbraw/zinc/02/87/87/473028787.db2.gz IRGCLOAGXAQNAB-SFHVURJKSA-N 2 2 330.472 2.796 20 30 EFEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017534 473028794 /nfs/dbraw/zinc/02/87/94/473028794.db2.gz IRGCLOAGXAQNAB-SFHVURJKSA-N 2 2 330.472 2.796 20 30 EFEDLP C=CC[NH+](CC=C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000051767062 473066745 /nfs/dbraw/zinc/06/67/45/473066745.db2.gz IVERWJFJNQPUKN-UHFFFAOYSA-N 2 2 341.499 2.703 20 30 EFEDLP C=CC[NH+](CC=C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000051767062 473066749 /nfs/dbraw/zinc/06/67/49/473066749.db2.gz IVERWJFJNQPUKN-UHFFFAOYSA-N 2 2 341.499 2.703 20 30 EFEDLP N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093664368 473132458 /nfs/dbraw/zinc/13/24/58/473132458.db2.gz BLYISFOOWATFGD-IBGZPJMESA-N 2 2 343.471 2.523 20 30 EFEDLP N#CCCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093664368 473132466 /nfs/dbraw/zinc/13/24/66/473132466.db2.gz BLYISFOOWATFGD-IBGZPJMESA-N 2 2 343.471 2.523 20 30 EFEDLP N#CCCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093664365 473132912 /nfs/dbraw/zinc/13/29/12/473132912.db2.gz BLYISFOOWATFGD-LJQANCHMSA-N 2 2 343.471 2.523 20 30 EFEDLP N#CCCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093664365 473132917 /nfs/dbraw/zinc/13/29/17/473132917.db2.gz BLYISFOOWATFGD-LJQANCHMSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478473 473472525 /nfs/dbraw/zinc/47/25/25/473472525.db2.gz AYOXEXUSGUROJI-JKSUJKDBSA-N 2 2 335.517 2.535 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478473 473472531 /nfs/dbraw/zinc/47/25/31/473472531.db2.gz AYOXEXUSGUROJI-JKSUJKDBSA-N 2 2 335.517 2.535 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480631 473473210 /nfs/dbraw/zinc/47/32/10/473473210.db2.gz CDFDAYPOUTVPAW-UHFFFAOYSA-N 2 2 341.499 2.783 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480631 473473214 /nfs/dbraw/zinc/47/32/14/473473214.db2.gz CDFDAYPOUTVPAW-UHFFFAOYSA-N 2 2 341.499 2.783 20 30 EFEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000185801179 473517463 /nfs/dbraw/zinc/51/74/63/473517463.db2.gz NNOMOFKRTTWLHM-HKUYNNGSSA-N 2 2 343.471 2.570 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191976067 473597419 /nfs/dbraw/zinc/59/74/19/473597419.db2.gz DTHQIEUTHYXZOI-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191976067 473597422 /nfs/dbraw/zinc/59/74/22/473597422.db2.gz DTHQIEUTHYXZOI-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191976073 473597766 /nfs/dbraw/zinc/59/77/66/473597766.db2.gz DTHQIEUTHYXZOI-IRXDYDNUSA-N 2 2 344.478 2.688 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245679629 473735971 /nfs/dbraw/zinc/73/59/71/473735971.db2.gz OYNHPPAVCGCXSY-OLMNPRSZSA-N 2 2 338.411 2.552 20 30 EFEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245679629 473735975 /nfs/dbraw/zinc/73/59/75/473735975.db2.gz OYNHPPAVCGCXSY-OLMNPRSZSA-N 2 2 338.411 2.552 20 30 EFEDLP C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000281497302 473741315 /nfs/dbraw/zinc/74/13/15/473741315.db2.gz FICYZNGBLJXDQU-XJKSGUPXSA-N 2 2 336.399 2.604 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1 ZINC000187297746 473853709 /nfs/dbraw/zinc/85/37/09/473853709.db2.gz AMGFOPHPMRJFJE-VAMGGRTRSA-N 2 2 325.456 2.680 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180488895 473889408 /nfs/dbraw/zinc/88/94/08/473889408.db2.gz HFTAXDQCXYDWIY-NVXWUHKLSA-N 2 2 337.508 2.872 20 30 EFEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000264106093 473950186 /nfs/dbraw/zinc/95/01/86/473950186.db2.gz NWCNRHYMMRWVLQ-LJQANCHMSA-N 2 2 345.535 2.809 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000274782408 473956716 /nfs/dbraw/zinc/95/67/16/473956716.db2.gz LDHSRGJRBTYDIA-LJQANCHMSA-N 2 2 328.504 2.882 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000274782408 473956723 /nfs/dbraw/zinc/95/67/23/473956723.db2.gz LDHSRGJRBTYDIA-LJQANCHMSA-N 2 2 328.504 2.882 20 30 EFEDLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181426890 474035490 /nfs/dbraw/zinc/03/54/90/474035490.db2.gz IXGSBMGTOSMJGN-BBWFWOEESA-N 2 2 331.460 2.739 20 30 EFEDLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181426890 474035494 /nfs/dbraw/zinc/03/54/94/474035494.db2.gz IXGSBMGTOSMJGN-BBWFWOEESA-N 2 2 331.460 2.739 20 30 EFEDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247649075 474194460 /nfs/dbraw/zinc/19/44/60/474194460.db2.gz PBWXKPYOMBQIME-MAUKXSAKSA-N 2 2 337.427 2.666 20 30 EFEDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247649075 474194464 /nfs/dbraw/zinc/19/44/64/474194464.db2.gz PBWXKPYOMBQIME-MAUKXSAKSA-N 2 2 337.427 2.666 20 30 EFEDLP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289367014 474239708 /nfs/dbraw/zinc/23/97/08/474239708.db2.gz KYHPSQYREGMPNL-UHFFFAOYSA-N 2 2 343.471 2.702 20 30 EFEDLP C=CCC(CC=C)C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000275645564 474264653 /nfs/dbraw/zinc/26/46/53/474264653.db2.gz KGFDTKHOJCFFGC-QGZVFWFLSA-N 2 2 342.487 2.659 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000265884877 474372837 /nfs/dbraw/zinc/37/28/37/474372837.db2.gz PMBNFDKVUARHFR-NHCUHLMSSA-N 2 2 335.451 2.531 20 30 EFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000265884877 474372843 /nfs/dbraw/zinc/37/28/43/474372843.db2.gz PMBNFDKVUARHFR-NHCUHLMSSA-N 2 2 335.451 2.531 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265946410 474396861 /nfs/dbraw/zinc/39/68/61/474396861.db2.gz GNXUVCWRROERMB-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265946410 474396869 /nfs/dbraw/zinc/39/68/69/474396869.db2.gz GNXUVCWRROERMB-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265946410 474396875 /nfs/dbraw/zinc/39/68/75/474396875.db2.gz GNXUVCWRROERMB-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265946410 474396884 /nfs/dbraw/zinc/39/68/84/474396884.db2.gz GNXUVCWRROERMB-IAGOWNOFSA-N 2 2 349.544 2.925 20 30 EFEDLP C=C[C@@H](CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000289919304 474484736 /nfs/dbraw/zinc/48/47/36/474484736.db2.gz SEVVRQDTWZVKOV-KRWDZBQOSA-N 2 2 337.423 2.858 20 30 EFEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000176748466 474524732 /nfs/dbraw/zinc/52/47/32/474524732.db2.gz SMRCMXFJQDPNQC-UHFFFAOYSA-N 2 2 330.472 2.678 20 30 EFEDLP Cc1nnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)s1 ZINC000271434496 474545742 /nfs/dbraw/zinc/54/57/42/474545742.db2.gz DNGZDFRZVDFFBA-UHFFFAOYSA-N 2 2 345.472 2.670 20 30 EFEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000271831691 474595550 /nfs/dbraw/zinc/59/55/50/474595550.db2.gz FDGFNENGGYMMAH-GOSISDBHSA-N 3 2 349.482 2.816 20 30 EFEDLP C#CC[NH+]1CCC(c2nc(Cn3c4ccccc4[nH+]c3CC)no2)CC1 ZINC000278216977 474603316 /nfs/dbraw/zinc/60/33/16/474603316.db2.gz WPOYTQVMHLDDSA-UHFFFAOYSA-N 2 2 349.438 2.843 20 30 EFEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675303 474622561 /nfs/dbraw/zinc/62/25/61/474622561.db2.gz UNVIQLMNSOBWJH-YLJYHZDGSA-N 2 2 349.482 2.990 20 30 EFEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675303 474622565 /nfs/dbraw/zinc/62/25/65/474622565.db2.gz UNVIQLMNSOBWJH-YLJYHZDGSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675303 474622569 /nfs/dbraw/zinc/62/25/69/474622569.db2.gz UNVIQLMNSOBWJH-YLJYHZDGSA-N 2 2 349.482 2.990 20 30 EFEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1 ZINC000272675303 474622571 /nfs/dbraw/zinc/62/25/71/474622571.db2.gz UNVIQLMNSOBWJH-YLJYHZDGSA-N 2 2 349.482 2.990 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(CO)cc3)CC2)cc1 ZINC000305777574 474778297 /nfs/dbraw/zinc/77/82/97/474778297.db2.gz LRIMMLXDYNUBBI-UHFFFAOYSA-N 2 2 349.478 2.847 20 30 EFEDLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OCCCC#N ZINC000268117551 474806339 /nfs/dbraw/zinc/80/63/39/474806339.db2.gz LBAWPPQDIGHKIW-QAPCUYQASA-N 2 2 343.471 2.950 20 30 EFEDLP COc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OCCCC#N ZINC000268117551 474806347 /nfs/dbraw/zinc/80/63/47/474806347.db2.gz LBAWPPQDIGHKIW-QAPCUYQASA-N 2 2 343.471 2.950 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337277843 474851153 /nfs/dbraw/zinc/85/11/53/474851153.db2.gz RYVNDABNJWZWPW-AWEZNQCLSA-N 2 2 348.878 2.956 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337277843 474851157 /nfs/dbraw/zinc/85/11/57/474851157.db2.gz RYVNDABNJWZWPW-AWEZNQCLSA-N 2 2 348.878 2.956 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000293666796 475047763 /nfs/dbraw/zinc/04/77/63/475047763.db2.gz UKVQLIRYHGGTMN-UHFFFAOYSA-N 2 2 349.906 2.917 20 30 EFEDLP C[C@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000329189283 475078422 /nfs/dbraw/zinc/07/84/22/475078422.db2.gz PPFDUBJNMLZSLN-GXTWGEPZSA-N 2 2 345.472 2.999 20 30 EFEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000329189283 475078430 /nfs/dbraw/zinc/07/84/30/475078430.db2.gz PPFDUBJNMLZSLN-GXTWGEPZSA-N 2 2 345.472 2.999 20 30 EFEDLP C#CC[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000295103309 475103725 /nfs/dbraw/zinc/10/37/25/475103725.db2.gz WIPXOSYGJIUSED-QGZVFWFLSA-N 2 2 330.863 2.708 20 30 EFEDLP C#CC[N@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000295103309 475103736 /nfs/dbraw/zinc/10/37/36/475103736.db2.gz WIPXOSYGJIUSED-QGZVFWFLSA-N 2 2 330.863 2.708 20 30 EFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000329771118 475129758 /nfs/dbraw/zinc/12/97/58/475129758.db2.gz GQOGIEJNCCNPJO-UHFFFAOYSA-N 2 2 328.416 2.636 20 30 EFEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000329845228 475144809 /nfs/dbraw/zinc/14/48/09/475144809.db2.gz QFGASFMXOVHEGZ-UHFFFAOYSA-N 2 2 328.372 2.606 20 30 EFEDLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000330359953 475235766 /nfs/dbraw/zinc/23/57/66/475235766.db2.gz WNXRZSIQPHZFJG-QGZVFWFLSA-N 2 2 346.475 2.639 20 30 EFEDLP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000330359953 475235775 /nfs/dbraw/zinc/23/57/75/475235775.db2.gz WNXRZSIQPHZFJG-QGZVFWFLSA-N 2 2 346.475 2.639 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342080586 475553659 /nfs/dbraw/zinc/55/36/59/475553659.db2.gz GGVMIODHSKGZJJ-HRCADAONSA-N 2 2 345.512 2.962 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342080586 475553663 /nfs/dbraw/zinc/55/36/63/475553663.db2.gz GGVMIODHSKGZJJ-HRCADAONSA-N 2 2 345.512 2.962 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3c4ccccc4C[C@H]3O)CC2)cc1 ZINC000362044177 475956338 /nfs/dbraw/zinc/95/63/38/475956338.db2.gz YSCHFEFMIZJBMG-FGZHOGPDSA-N 2 2 347.462 2.771 20 30 EFEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000299646405 476147923 /nfs/dbraw/zinc/14/79/23/476147923.db2.gz KSGBXHYUHDOYHE-UHFFFAOYSA-N 2 2 345.834 2.759 20 30 EFEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000299646405 476147930 /nfs/dbraw/zinc/14/79/30/476147930.db2.gz KSGBXHYUHDOYHE-UHFFFAOYSA-N 2 2 345.834 2.759 20 30 EFEDLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000344241467 476175144 /nfs/dbraw/zinc/17/51/44/476175144.db2.gz VTULEUVZRRKYGL-ZVZYQTTQSA-N 2 2 330.451 2.596 20 30 EFEDLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000344241467 476175150 /nfs/dbraw/zinc/17/51/50/476175150.db2.gz VTULEUVZRRKYGL-ZVZYQTTQSA-N 2 2 330.451 2.596 20 30 EFEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000344241466 476175892 /nfs/dbraw/zinc/17/58/92/476175892.db2.gz VTULEUVZRRKYGL-YXJHDRRASA-N 2 2 330.451 2.596 20 30 EFEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000344241466 476175897 /nfs/dbraw/zinc/17/58/97/476175897.db2.gz VTULEUVZRRKYGL-YXJHDRRASA-N 2 2 330.451 2.596 20 30 EFEDLP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344326604 476252609 /nfs/dbraw/zinc/25/26/09/476252609.db2.gz KOHMEZGJYZPXCY-AZUAARDMSA-N 2 2 327.472 2.927 20 30 EFEDLP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000344330774 476257522 /nfs/dbraw/zinc/25/75/22/476257522.db2.gz VUVJRHHPGIQPEF-GFCCVEGCSA-N 2 2 338.249 2.679 20 30 EFEDLP C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360690144 476342652 /nfs/dbraw/zinc/34/26/52/476342652.db2.gz HPUPQLBYKYEGMF-PXNSSMCTSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360690144 476342656 /nfs/dbraw/zinc/34/26/56/476342656.db2.gz HPUPQLBYKYEGMF-PXNSSMCTSA-N 2 2 345.918 2.649 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000368535998 476355660 /nfs/dbraw/zinc/35/56/60/476355660.db2.gz CEARBTCMPFICDB-JYBIWHBTSA-N 2 2 329.488 2.863 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000368535998 476355665 /nfs/dbraw/zinc/35/56/65/476355665.db2.gz CEARBTCMPFICDB-JYBIWHBTSA-N 2 2 329.488 2.863 20 30 EFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000354044696 476388018 /nfs/dbraw/zinc/38/80/18/476388018.db2.gz LUINNXBRNDALOA-UHFFFAOYSA-N 2 2 332.517 2.610 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430801 476479928 /nfs/dbraw/zinc/47/99/28/476479928.db2.gz UMNBARIQABFWDZ-QYZOEREBSA-N 2 2 332.875 2.875 20 30 EFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC000374430801 476479932 /nfs/dbraw/zinc/47/99/32/476479932.db2.gz UMNBARIQABFWDZ-QYZOEREBSA-N 2 2 332.875 2.875 20 30 EFEDLP C#CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000364390322 476526185 /nfs/dbraw/zinc/52/61/85/476526185.db2.gz ZJXRYVDEQGLOGJ-LJQANCHMSA-N 2 2 345.531 2.587 20 30 EFEDLP C#CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000364390322 476526190 /nfs/dbraw/zinc/52/61/90/476526190.db2.gz ZJXRYVDEQGLOGJ-LJQANCHMSA-N 2 2 345.531 2.587 20 30 EFEDLP C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147398 476679057 /nfs/dbraw/zinc/67/90/57/476679057.db2.gz CEHMDJOUMFHIHU-XLIONFOSSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147398 476679062 /nfs/dbraw/zinc/67/90/62/476679062.db2.gz CEHMDJOUMFHIHU-XLIONFOSSA-N 2 2 345.918 2.649 20 30 EFEDLP C=CCCCC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370158651 476680978 /nfs/dbraw/zinc/68/09/78/476680978.db2.gz DSLGSBUHNYHXMN-MRXNPFEDSA-N 2 2 330.476 2.730 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+]CC[NH2+]C)cc1OCC ZINC000414828078 476894447 /nfs/dbraw/zinc/89/44/47/476894447.db2.gz YXBZHVPBTZECJQ-UHFFFAOYSA-N 2 2 343.265 2.722 20 30 EFEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C)C[NH3+])cc1OCC ZINC000414934467 476895147 /nfs/dbraw/zinc/89/51/47/476895147.db2.gz USBIIBNAKOJXIO-LLVKDONJSA-N 2 2 343.265 2.849 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000370624781 476901479 /nfs/dbraw/zinc/90/14/79/476901479.db2.gz PIXXEYJOVJFKPU-UHFFFAOYSA-N 2 2 329.488 2.904 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000424167145 477315522 /nfs/dbraw/zinc/31/55/22/477315522.db2.gz BYBFJKZQGCARLY-FUHWJXTLSA-N 2 2 325.460 2.607 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000424167145 477315528 /nfs/dbraw/zinc/31/55/28/477315528.db2.gz BYBFJKZQGCARLY-FUHWJXTLSA-N 2 2 325.460 2.607 20 30 EFEDLP C=CCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000448976542 477368463 /nfs/dbraw/zinc/36/84/63/477368463.db2.gz UOIJCHSXQVAIAQ-UHFFFAOYSA-N 2 2 335.536 2.997 20 30 EFEDLP C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000448976542 477368469 /nfs/dbraw/zinc/36/84/69/477368469.db2.gz UOIJCHSXQVAIAQ-UHFFFAOYSA-N 2 2 335.536 2.997 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449123045 477448020 /nfs/dbraw/zinc/44/80/20/477448020.db2.gz NJPSZCUMSLGSFI-UHFFFAOYSA-N 2 2 328.435 2.966 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425172074 477657420 /nfs/dbraw/zinc/65/74/20/477657420.db2.gz XSZVNDMMIJXSSC-SFHVURJKSA-N 2 2 338.455 2.698 20 30 EFEDLP Cc1cc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425204892 477668600 /nfs/dbraw/zinc/66/86/00/477668600.db2.gz IKKKFPYXWQHSHR-UHFFFAOYSA-N 2 2 349.482 2.698 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420389778 477740072 /nfs/dbraw/zinc/74/00/72/477740072.db2.gz YTUYDUGENZHWIN-LSDHHAIUSA-N 2 2 333.501 2.820 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420389778 477740078 /nfs/dbraw/zinc/74/00/78/477740078.db2.gz YTUYDUGENZHWIN-LSDHHAIUSA-N 2 2 333.501 2.820 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000420981710 477873764 /nfs/dbraw/zinc/87/37/64/477873764.db2.gz NOBCJPDBFPXWNU-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000420981710 477873770 /nfs/dbraw/zinc/87/37/70/477873770.db2.gz NOBCJPDBFPXWNU-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000421011344 477899199 /nfs/dbraw/zinc/89/91/99/477899199.db2.gz PCSSOAQVXFDIHA-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000421011344 477899208 /nfs/dbraw/zinc/89/92/08/477899208.db2.gz PCSSOAQVXFDIHA-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000421011344 477899216 /nfs/dbraw/zinc/89/92/16/477899216.db2.gz PCSSOAQVXFDIHA-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000421011344 477899223 /nfs/dbraw/zinc/89/92/23/477899223.db2.gz PCSSOAQVXFDIHA-UHFFFAOYSA-N 2 2 344.478 2.689 20 30 EFEDLP N#Cc1cnn2cc(C[NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)cnc12 ZINC000559273460 477971597 /nfs/dbraw/zinc/97/15/97/477971597.db2.gz PFUUSZXWHWQHPX-IBGZPJMESA-N 2 2 346.438 2.528 20 30 EFEDLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCCCC#N ZINC000494413611 477980761 /nfs/dbraw/zinc/98/07/61/477980761.db2.gz TXMSQTZJIZQULF-INIZCTEOSA-N 2 2 340.427 2.679 20 30 EFEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000532746154 477981488 /nfs/dbraw/zinc/98/14/88/477981488.db2.gz BBEMKURBYFSOBF-IBGZPJMESA-N 2 2 345.918 2.792 20 30 EFEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)CC1 ZINC000532746154 477981496 /nfs/dbraw/zinc/98/14/96/477981496.db2.gz BBEMKURBYFSOBF-IBGZPJMESA-N 2 2 345.918 2.792 20 30 EFEDLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000579572943 478328791 /nfs/dbraw/zinc/32/87/91/478328791.db2.gz MHSUBOODTYHCLF-INIZCTEOSA-N 2 2 327.476 2.825 20 30 EFEDLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000579572943 478328795 /nfs/dbraw/zinc/32/87/95/478328795.db2.gz MHSUBOODTYHCLF-INIZCTEOSA-N 2 2 327.476 2.825 20 30 EFEDLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000579572944 478329878 /nfs/dbraw/zinc/32/98/78/478329878.db2.gz MHSUBOODTYHCLF-MRXNPFEDSA-N 2 2 327.476 2.825 20 30 EFEDLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000579572944 478329885 /nfs/dbraw/zinc/32/98/85/478329885.db2.gz MHSUBOODTYHCLF-MRXNPFEDSA-N 2 2 327.476 2.825 20 30 EFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000580217247 478357971 /nfs/dbraw/zinc/35/79/71/478357971.db2.gz XNISENOBIZTDTP-IBGZPJMESA-N 2 2 330.472 2.938 20 30 EFEDLP Cc1nc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000538394071 478358035 /nfs/dbraw/zinc/35/80/35/478358035.db2.gz ZREJJTUKZKWPNQ-UHFFFAOYSA-N 2 2 338.455 2.960 20 30 EFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000580217247 478357978 /nfs/dbraw/zinc/35/79/78/478357978.db2.gz XNISENOBIZTDTP-IBGZPJMESA-N 2 2 330.472 2.938 20 30 EFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349510 478422408 /nfs/dbraw/zinc/42/24/08/478422408.db2.gz IQHQYNADEWCJLH-WLHONDITSA-N 2 2 340.471 2.716 20 30 EFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349510 478422412 /nfs/dbraw/zinc/42/24/12/478422412.db2.gz IQHQYNADEWCJLH-WLHONDITSA-N 2 2 340.471 2.716 20 30 EFEDLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC000594739226 478523682 /nfs/dbraw/zinc/52/36/82/478523682.db2.gz OLZXJXUSNAMTMR-RTBURBONSA-N 2 2 339.414 2.941 20 30 EFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC000491619302 478599824 /nfs/dbraw/zinc/59/98/24/478599824.db2.gz FSJZPBGZSCEQSM-UHFFFAOYSA-N 2 2 336.439 2.585 20 30 EFEDLP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594950983 478600784 /nfs/dbraw/zinc/60/07/84/478600784.db2.gz WDASWXYIDIAEOY-UHFFFAOYSA-N 2 2 349.482 2.923 20 30 EFEDLP C#CC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C1CCCC1 ZINC000491651648 478616147 /nfs/dbraw/zinc/61/61/47/478616147.db2.gz HZBZVVFVEYENBU-UHFFFAOYSA-N 2 2 346.500 2.555 20 30 EFEDLP C#CC[N@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C1CCCC1 ZINC000491651648 478616151 /nfs/dbraw/zinc/61/61/51/478616151.db2.gz HZBZVVFVEYENBU-UHFFFAOYSA-N 2 2 346.500 2.555 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)CC3CC3)CC2)cc1 ZINC000594981805 478617793 /nfs/dbraw/zinc/61/77/93/478617793.db2.gz AHXNAEOJQJWBFQ-IBGZPJMESA-N 2 2 327.472 2.521 20 30 EFEDLP N#Cc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000582895441 478713205 /nfs/dbraw/zinc/71/32/05/478713205.db2.gz WNWMSYGNSCKTLP-UHFFFAOYSA-N 2 2 347.466 2.836 20 30 EFEDLP N#Cc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000582895441 478713214 /nfs/dbraw/zinc/71/32/14/478713214.db2.gz WNWMSYGNSCKTLP-UHFFFAOYSA-N 2 2 347.466 2.836 20 30 EFEDLP N#CCOc1ccc(/C=C/C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)cc1 ZINC000491893557 478727625 /nfs/dbraw/zinc/72/76/25/478727625.db2.gz PPURWZBKHIXTCW-ZZXKWVIFSA-N 2 2 345.362 2.822 20 30 EFEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000598699545 478978020 /nfs/dbraw/zinc/97/80/20/478978020.db2.gz GKGUGMFOGJHFDG-GOSISDBHSA-N 2 2 333.451 2.680 20 30 EFEDLP CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000598701916 478979732 /nfs/dbraw/zinc/97/97/32/478979732.db2.gz ZSYFKPIRZJKTEI-RTBURBONSA-N 2 2 329.488 2.714 20 30 EFEDLP CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000598701916 478979739 /nfs/dbraw/zinc/97/97/39/478979739.db2.gz ZSYFKPIRZJKTEI-RTBURBONSA-N 2 2 329.488 2.714 20 30 EFEDLP CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000598701915 478979916 /nfs/dbraw/zinc/97/99/16/478979916.db2.gz ZSYFKPIRZJKTEI-RBUKOAKNSA-N 2 2 329.488 2.714 20 30 EFEDLP CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000598701915 478979921 /nfs/dbraw/zinc/97/99/21/478979921.db2.gz ZSYFKPIRZJKTEI-RBUKOAKNSA-N 2 2 329.488 2.714 20 30 EFEDLP N#CCC[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000566107742 479084543 /nfs/dbraw/zinc/08/45/43/479084543.db2.gz QPIXDDFOEPKXLY-UHFFFAOYSA-N 2 2 340.393 2.721 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000566126400 479085984 /nfs/dbraw/zinc/08/59/84/479085984.db2.gz ZANMNMRMPUKKBU-QKLQHJQFSA-N 2 2 343.471 2.585 20 30 EFEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954666 479217893 /nfs/dbraw/zinc/21/78/93/479217893.db2.gz XCFMFKHNWNCLJV-FQEVSTJZSA-N 3 2 340.515 2.843 20 30 EFEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954666 479217901 /nfs/dbraw/zinc/21/79/01/479217901.db2.gz XCFMFKHNWNCLJV-FQEVSTJZSA-N 3 2 340.515 2.843 20 30 EFEDLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320210 479293781 /nfs/dbraw/zinc/29/37/81/479293781.db2.gz AQXLJKLQHPUNTK-OXJNMPFZSA-N 3 2 326.488 2.500 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000593324589 479296554 /nfs/dbraw/zinc/29/65/54/479296554.db2.gz XUULFBARZJGICY-ICSRJNTNSA-N 3 2 326.488 2.630 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC(Nc3nc[nH+]c(N)c3Cl)CC2)c1 ZINC000593515378 479372583 /nfs/dbraw/zinc/37/25/83/479372583.db2.gz NKNPESQUEJUNST-UHFFFAOYSA-N 2 2 342.834 2.660 20 30 EFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000602552750 479394613 /nfs/dbraw/zinc/39/46/13/479394613.db2.gz XKCWERGUUQFBOB-KRWDZBQOSA-N 2 2 341.499 2.774 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCCOC1 ZINC000593695032 479426974 /nfs/dbraw/zinc/42/69/74/479426974.db2.gz FVHXFLDPYHMJKT-VQIMIIECSA-N 2 2 327.472 2.927 20 30 EFEDLP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701586 479428723 /nfs/dbraw/zinc/42/87/23/479428723.db2.gz GKUCVFFRAHHION-UHFFFAOYSA-N 2 2 343.471 2.702 20 30 EFEDLP N#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602710810 479495681 /nfs/dbraw/zinc/49/56/81/479495681.db2.gz XZXIYXDGFFDTRH-SFHVURJKSA-N 2 2 343.471 2.523 20 30 EFEDLP N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602710810 479495692 /nfs/dbraw/zinc/49/56/92/479495692.db2.gz XZXIYXDGFFDTRH-SFHVURJKSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660672753 482087730 /nfs/dbraw/zinc/08/77/30/482087730.db2.gz AZTQMIGUNNYYMA-SFHVURJKSA-N 2 2 341.499 2.830 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660672751 482088215 /nfs/dbraw/zinc/08/82/15/482088215.db2.gz AZTQMIGUNNYYMA-GOSISDBHSA-N 2 2 341.499 2.830 20 30 EFEDLP C=CC[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663569520 482304124 /nfs/dbraw/zinc/30/41/24/482304124.db2.gz LHIAOEBCYKFJRP-UHFFFAOYSA-N 2 2 325.254 2.918 20 30 EFEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000170906469 534075088 /nfs/dbraw/zinc/07/50/88/534075088.db2.gz MCAMOELLLLAEBS-QGZVFWFLSA-N 2 2 344.434 2.542 20 30 EFEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000170913289 534075647 /nfs/dbraw/zinc/07/56/47/534075647.db2.gz PERIHJFRTWXNAQ-QGZVFWFLSA-N 2 2 344.434 2.542 20 30 EFEDLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181694814 534841497 /nfs/dbraw/zinc/84/14/97/534841497.db2.gz KXOCFSHHJOIQEM-OAHLLOKOSA-N 2 2 337.471 2.915 20 30 EFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367708215 534883317 /nfs/dbraw/zinc/88/33/17/534883317.db2.gz UBVDOLHBNXBDKL-MRXNPFEDSA-N 2 2 327.428 2.983 20 30 EFEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367708215 534883320 /nfs/dbraw/zinc/88/33/20/534883320.db2.gz UBVDOLHBNXBDKL-MRXNPFEDSA-N 2 2 327.428 2.983 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245451935 526152151 /nfs/dbraw/zinc/15/21/51/526152151.db2.gz PYEPAXUZELXKMY-AEFFLSMTSA-N 2 2 340.471 2.693 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245451935 526152158 /nfs/dbraw/zinc/15/21/58/526152158.db2.gz PYEPAXUZELXKMY-AEFFLSMTSA-N 2 2 340.471 2.693 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000177913787 526454568 /nfs/dbraw/zinc/45/45/68/526454568.db2.gz ZUZOBAKHWXAMAX-MRXNPFEDSA-N 2 2 347.478 2.963 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000177908803 526455058 /nfs/dbraw/zinc/45/50/58/526455058.db2.gz SGQCIARQQUDBAQ-CYBMUJFWSA-N 2 2 340.464 2.530 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000153048255 526604675 /nfs/dbraw/zinc/60/46/75/526604675.db2.gz NLVRUCZQQCILQL-HNNXBMFYSA-N 2 2 336.501 2.781 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000181758968 526608825 /nfs/dbraw/zinc/60/88/25/526608825.db2.gz WYCRUPFVLMYZPA-VXKWHMMOSA-N 2 2 347.462 2.771 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@H](O)C3)CC2)cc1 ZINC000181803722 526610134 /nfs/dbraw/zinc/61/01/34/526610134.db2.gz FFMFIICYZLFEKO-ICSRJNTNSA-N 2 2 327.472 2.663 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159284379 526625745 /nfs/dbraw/zinc/62/57/45/526625745.db2.gz IZZDKHGDADZATJ-MISYRCLQSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159284379 526625751 /nfs/dbraw/zinc/62/57/51/526625751.db2.gz IZZDKHGDADZATJ-MISYRCLQSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159284379 526625754 /nfs/dbraw/zinc/62/57/54/526625754.db2.gz IZZDKHGDADZATJ-MISYRCLQSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159284379 526625758 /nfs/dbraw/zinc/62/57/58/526625758.db2.gz IZZDKHGDADZATJ-MISYRCLQSA-N 2 2 341.499 2.664 20 30 EFEDLP CC(C)(CO)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181803275 527195531 /nfs/dbraw/zinc/19/55/31/527195531.db2.gz XEBFBGGUMRGZFK-UHFFFAOYSA-N 2 2 329.488 2.911 20 30 EFEDLP CC(C)CCC[C@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912388 527705785 /nfs/dbraw/zinc/70/57/85/527705785.db2.gz XXZKIVLOZCNQQN-HNNXBMFYSA-N 2 2 328.464 2.886 20 30 EFEDLP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181737901 528863241 /nfs/dbraw/zinc/86/32/41/528863241.db2.gz ARTYGZUFZNQMQN-HXUWFJFHSA-N 2 2 329.488 2.909 20 30 EFEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@@](C)(CC)C1 ZINC000261807201 535262211 /nfs/dbraw/zinc/26/22/11/535262211.db2.gz SBAYEHBMJOSWPT-LJQANCHMSA-N 2 2 327.476 2.964 20 30 EFEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000341929385 545942966 /nfs/dbraw/zinc/94/29/66/545942966.db2.gz KJABEGUQOITUOJ-HNJRGHQBSA-N 2 2 332.488 2.754 20 30 EFEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000341929385 545942969 /nfs/dbraw/zinc/94/29/69/545942969.db2.gz KJABEGUQOITUOJ-HNJRGHQBSA-N 2 2 332.488 2.754 20 30 EFEDLP C=CCC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000655552327 546482495 /nfs/dbraw/zinc/48/24/95/546482495.db2.gz VSJRSYOXEWBOFS-KRWDZBQOSA-N 2 2 348.535 2.733 20 30 EFEDLP C=CCC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000655552327 546482500 /nfs/dbraw/zinc/48/25/00/546482500.db2.gz VSJRSYOXEWBOFS-KRWDZBQOSA-N 2 2 348.535 2.733 20 30 EFEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)nn1 ZINC000657313328 547104879 /nfs/dbraw/zinc/10/48/79/547104879.db2.gz JFBZDMKIYDSUOY-UHFFFAOYSA-N 2 2 339.487 2.917 20 30 EFEDLP CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000753937797 575362939 /nfs/dbraw/zinc/36/29/39/575362939.db2.gz GZZZZBBTLJNVCO-HDICACEKSA-N 2 2 336.443 2.765 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000765832518 577081345 /nfs/dbraw/zinc/08/13/45/577081345.db2.gz GVRBCDCMBVKKER-UHFFFAOYSA-N 2 2 344.459 2.804 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000769072020 577331018 /nfs/dbraw/zinc/33/10/18/577331018.db2.gz HBPSZNVMUJBKRK-IBGZPJMESA-N 2 2 348.450 2.923 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000769072020 577331020 /nfs/dbraw/zinc/33/10/20/577331020.db2.gz HBPSZNVMUJBKRK-IBGZPJMESA-N 2 2 348.450 2.923 20 30 EFEDLP C#C[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975694 577396178 /nfs/dbraw/zinc/39/61/78/577396178.db2.gz HWHUDIRQZOEHEM-CRAIPNDOSA-N 2 2 347.890 2.547 20 30 EFEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000769975694 577396179 /nfs/dbraw/zinc/39/61/79/577396179.db2.gz HWHUDIRQZOEHEM-CRAIPNDOSA-N 2 2 347.890 2.547 20 30 EFEDLP C=CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743396 606746282 /nfs/dbraw/zinc/74/62/82/606746282.db2.gz IBDSSYKNOHVGIU-SFHVURJKSA-N 2 2 340.475 2.729 20 30 EFEDLP C=CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743396 606746284 /nfs/dbraw/zinc/74/62/84/606746284.db2.gz IBDSSYKNOHVGIU-SFHVURJKSA-N 2 2 340.475 2.729 20 30 EFEDLP C=CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743396 606746287 /nfs/dbraw/zinc/74/62/87/606746287.db2.gz IBDSSYKNOHVGIU-SFHVURJKSA-N 2 2 340.475 2.729 20 30 EFEDLP C=CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743396 606746289 /nfs/dbraw/zinc/74/62/89/606746289.db2.gz IBDSSYKNOHVGIU-SFHVURJKSA-N 2 2 340.475 2.729 20 30 EFEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688315 1252194308 /nfs/dbraw/zinc/19/43/08/1252194308.db2.gz SNDUMUOPCLKAEG-KRWDZBQOSA-N 2 2 345.487 2.585 20 30 EFEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688315 1252194314 /nfs/dbraw/zinc/19/43/14/1252194314.db2.gz SNDUMUOPCLKAEG-KRWDZBQOSA-N 2 2 345.487 2.585 20 30 EFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089694031 1252289067 /nfs/dbraw/zinc/28/90/67/1252289067.db2.gz RLEWCJCLAVBUGE-LSDHHAIUSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089694031 1252289075 /nfs/dbraw/zinc/28/90/75/1252289075.db2.gz RLEWCJCLAVBUGE-LSDHHAIUSA-N 2 2 330.476 2.622 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089696356 1252303763 /nfs/dbraw/zinc/30/37/63/1252303763.db2.gz ZFHXGZOZEXNOEC-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001089696356 1252303773 /nfs/dbraw/zinc/30/37/73/1252303773.db2.gz ZFHXGZOZEXNOEC-BRWVUGGUSA-N 2 2 344.503 2.707 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484341885 1252428867 /nfs/dbraw/zinc/42/88/67/1252428867.db2.gz DIFUSKPAWRKPEE-OLZOCXBDSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC000995818774 1254771958 /nfs/dbraw/zinc/77/19/58/1254771958.db2.gz AOMUWMCYKZHCAY-HNNXBMFYSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449577 1255848932 /nfs/dbraw/zinc/84/89/32/1255848932.db2.gz OJAPJAZFQCHIOQ-YLJYHZDGSA-N 2 2 344.503 2.864 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449577 1255848942 /nfs/dbraw/zinc/84/89/42/1255848942.db2.gz OJAPJAZFQCHIOQ-YLJYHZDGSA-N 2 2 344.503 2.864 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997177256 1257197561 /nfs/dbraw/zinc/19/75/61/1257197561.db2.gz NVYHDPFZSOHPMD-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997178307 1257209773 /nfs/dbraw/zinc/20/97/73/1257209773.db2.gz SYOHAHDVDFKLCJ-CQSZACIVSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997185526 1257228317 /nfs/dbraw/zinc/22/83/17/1257228317.db2.gz GXNYXQKIIBGPOO-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997187355 1257232470 /nfs/dbraw/zinc/23/24/70/1257232470.db2.gz NYNCZCSXKGWMNP-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997648484 1258166475 /nfs/dbraw/zinc/16/64/75/1258166475.db2.gz INLJUGJSHKBSCQ-WMLDXEAASA-N 2 2 344.503 2.616 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997648484 1258166479 /nfs/dbraw/zinc/16/64/79/1258166479.db2.gz INLJUGJSHKBSCQ-WMLDXEAASA-N 2 2 344.503 2.616 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997748996 1258350765 /nfs/dbraw/zinc/35/07/65/1258350765.db2.gz TYFBIZZXHZNNIC-GOEBONIOSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998041429 1259011238 /nfs/dbraw/zinc/01/12/38/1259011238.db2.gz OSKTYBWAMHVNIS-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998041429 1259011244 /nfs/dbraw/zinc/01/12/44/1259011244.db2.gz OSKTYBWAMHVNIS-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998041429 1259011250 /nfs/dbraw/zinc/01/12/50/1259011250.db2.gz OSKTYBWAMHVNIS-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000998041429 1259011255 /nfs/dbraw/zinc/01/12/55/1259011255.db2.gz OSKTYBWAMHVNIS-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045126 1259017066 /nfs/dbraw/zinc/01/70/66/1259017066.db2.gz JGGHGAXTRYHTQB-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998045126 1259017074 /nfs/dbraw/zinc/01/70/74/1259017074.db2.gz JGGHGAXTRYHTQB-ROUUACIJSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047552 1259022869 /nfs/dbraw/zinc/02/28/69/1259022869.db2.gz QOQAGRRCARPPEY-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000998047552 1259022873 /nfs/dbraw/zinc/02/28/73/1259022873.db2.gz QOQAGRRCARPPEY-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047552 1259022878 /nfs/dbraw/zinc/02/28/78/1259022878.db2.gz QOQAGRRCARPPEY-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000998047552 1259022884 /nfs/dbraw/zinc/02/28/84/1259022884.db2.gz QOQAGRRCARPPEY-DLBZAZTESA-N 2 2 344.503 2.712 20 30 EFEDLP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998063312 1259054318 /nfs/dbraw/zinc/05/43/18/1259054318.db2.gz KZWAIYVIIWCUPE-QGZVFWFLSA-N 2 2 338.455 2.674 20 30 EFEDLP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000998063312 1259054326 /nfs/dbraw/zinc/05/43/26/1259054326.db2.gz KZWAIYVIIWCUPE-QGZVFWFLSA-N 2 2 338.455 2.674 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119071 1259129711 /nfs/dbraw/zinc/12/97/11/1259129711.db2.gz ZERNVXCXNNAMEA-IAGOWNOFSA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998119071 1259129713 /nfs/dbraw/zinc/12/97/13/1259129713.db2.gz ZERNVXCXNNAMEA-IAGOWNOFSA-N 2 2 342.487 2.556 20 30 EFEDLP 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/nfs/dbraw/zinc/54/75/08/1271547508.db2.gz PSXBPNQZPRFIIH-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279110 1271547513 /nfs/dbraw/zinc/54/75/13/1271547513.db2.gz PSXBPNQZPRFIIH-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279110 1271547520 /nfs/dbraw/zinc/54/75/20/1271547520.db2.gz PSXBPNQZPRFIIH-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390600 1271865942 /nfs/dbraw/zinc/86/59/42/1271865942.db2.gz DWRPNYISKHNKOJ-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034390600 1271865954 /nfs/dbraw/zinc/86/59/54/1271865954.db2.gz DWRPNYISKHNKOJ-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168967446 1272558945 /nfs/dbraw/zinc/55/89/45/1272558945.db2.gz PPVIECQIKWTHIB-PKOBYXMFSA-N 2 2 342.443 2.558 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108711337 1273407503 /nfs/dbraw/zinc/40/75/03/1273407503.db2.gz FTTAQGACKZDQCE-BZSNNMDCSA-N 2 2 344.503 2.862 20 30 EFEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730429 1273418765 /nfs/dbraw/zinc/41/87/65/1273418765.db2.gz NSVTZBUQTUMSCX-BZSNNMDCSA-N 2 2 325.456 2.613 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108797916 1273490256 /nfs/dbraw/zinc/49/02/56/1273490256.db2.gz MXNJQRNYPWONFW-BZSNNMDCSA-N 2 2 344.503 2.678 20 30 EFEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035230643 1273938592 /nfs/dbraw/zinc/93/85/92/1273938592.db2.gz AUXMSERHDARCQI-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035230643 1273938597 /nfs/dbraw/zinc/93/85/97/1273938597.db2.gz AUXMSERHDARCQI-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001035759048 1274444038 /nfs/dbraw/zinc/44/40/38/1274444038.db2.gz OZNCOWRIKSGBPQ-UHFFFAOYSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109704942 1274563633 /nfs/dbraw/zinc/56/36/33/1274563633.db2.gz KNFYTWWAAQDDOM-OHFALNGGSA-N 2 2 328.460 2.517 20 30 EFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109704942 1274563639 /nfs/dbraw/zinc/56/36/39/1274563639.db2.gz KNFYTWWAAQDDOM-OHFALNGGSA-N 2 2 328.460 2.517 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857851 1274738001 /nfs/dbraw/zinc/73/80/01/1274738001.db2.gz GUMLDNFOBQNHST-LTIDMASMSA-N 2 2 341.927 2.827 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857851 1274738010 /nfs/dbraw/zinc/73/80/10/1274738010.db2.gz GUMLDNFOBQNHST-LTIDMASMSA-N 2 2 341.927 2.827 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001036028778 1274902059 /nfs/dbraw/zinc/90/20/59/1274902059.db2.gz FGKAXHVXRRYDIO-MLGOLLRUSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001036120890 1275080099 /nfs/dbraw/zinc/08/00/99/1275080099.db2.gz BCGWWIWKXPVJDK-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563084 1275187904 /nfs/dbraw/zinc/18/79/04/1275187904.db2.gz DZYPXMJTFXXYMV-ZWOKBUDYSA-N 2 2 344.503 2.536 20 30 EFEDLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000817951776 1276396466 /nfs/dbraw/zinc/39/64/66/1276396466.db2.gz HFPCUQRMERGTSQ-HNNXBMFYSA-N 2 2 337.427 2.567 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896616 1276502251 /nfs/dbraw/zinc/50/22/51/1276502251.db2.gz YEJBIOCIMBJZNC-YJBOKZPZSA-N 2 2 347.507 2.631 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896616 1276502255 /nfs/dbraw/zinc/50/22/55/1276502255.db2.gz YEJBIOCIMBJZNC-YJBOKZPZSA-N 2 2 347.507 2.631 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001113027281 1276584342 /nfs/dbraw/zinc/58/43/42/1276584342.db2.gz ADTQGWYMMGQATP-KRWDZBQOSA-N 2 2 332.492 2.560 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819023880 1276593173 /nfs/dbraw/zinc/59/31/73/1276593173.db2.gz KXICQSKFTODUNS-INIZCTEOSA-N 2 2 344.377 2.859 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819024417 1276594516 /nfs/dbraw/zinc/59/45/16/1276594516.db2.gz QERMSCMEXLUMIB-INIZCTEOSA-N 2 2 339.277 2.723 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001113037558 1276617296 /nfs/dbraw/zinc/61/72/96/1276617296.db2.gz MCQWNTTUKIPTCN-QGZVFWFLSA-N 2 2 332.492 2.560 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073059 1276619325 /nfs/dbraw/zinc/61/93/25/1276619325.db2.gz AUIJCVKVUIMDCG-UXHICEINSA-N 2 2 325.456 2.781 20 30 EFEDLP C=CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819073059 1276619334 /nfs/dbraw/zinc/61/93/34/1276619334.db2.gz AUIJCVKVUIMDCG-UXHICEINSA-N 2 2 325.456 2.781 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265996 1277442903 /nfs/dbraw/zinc/44/29/03/1277442903.db2.gz HFVCKJGNJLYRSD-GOSISDBHSA-N 2 2 344.503 2.645 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001113546955 1278039338 /nfs/dbraw/zinc/03/93/38/1278039338.db2.gz WBIQBEVSUVWAKO-UHFFFAOYSA-N 2 2 332.492 2.876 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175227738 1287363076 /nfs/dbraw/zinc/36/30/76/1287363076.db2.gz UEFLUHTVQKENEX-UONOGXRCSA-N 2 2 338.883 2.847 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001114283699 1280114479 /nfs/dbraw/zinc/11/44/79/1280114479.db2.gz YCHQECBQWHZBPS-WKCGWZECSA-N 2 2 338.455 2.657 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001114283699 1280114482 /nfs/dbraw/zinc/11/44/82/1280114482.db2.gz YCHQECBQWHZBPS-WKCGWZECSA-N 2 2 338.455 2.657 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503404 1287455171 /nfs/dbraw/zinc/45/51/71/1287455171.db2.gz OUNJMIQNTXVRRN-LSDHHAIUSA-N 2 2 326.872 2.851 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029691 1281095217 /nfs/dbraw/zinc/09/52/17/1281095217.db2.gz LRUKTOFYFABBRQ-HZPDHXFCSA-N 2 2 347.906 2.732 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029691 1281095227 /nfs/dbraw/zinc/09/52/27/1281095227.db2.gz LRUKTOFYFABBRQ-HZPDHXFCSA-N 2 2 347.906 2.732 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201791 1287473655 /nfs/dbraw/zinc/47/36/55/1287473655.db2.gz IWHONJBVPYNSJK-RTWAWAEBSA-N 2 2 337.467 2.925 20 30 EFEDLP C=CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000872201791 1287473662 /nfs/dbraw/zinc/47/36/62/1287473662.db2.gz IWHONJBVPYNSJK-RTWAWAEBSA-N 2 2 337.467 2.925 20 30 EFEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767946 1281254804 /nfs/dbraw/zinc/25/48/04/1281254804.db2.gz URQQNWWPYRQFLE-GOSISDBHSA-N 2 2 344.503 2.971 20 30 EFEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767946 1281254811 /nfs/dbraw/zinc/25/48/11/1281254811.db2.gz URQQNWWPYRQFLE-GOSISDBHSA-N 2 2 344.503 2.971 20 30 EFEDLP CCCCCCC[N@@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147959308 1281378792 /nfs/dbraw/zinc/37/87/92/1281378792.db2.gz VPWGQXFXZXNITE-UHFFFAOYSA-N 2 2 346.519 2.857 20 30 EFEDLP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001147959308 1281378799 /nfs/dbraw/zinc/37/87/99/1281378799.db2.gz VPWGQXFXZXNITE-UHFFFAOYSA-N 2 2 346.519 2.857 20 30 EFEDLP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055449 1287531371 /nfs/dbraw/zinc/53/13/71/1287531371.db2.gz FTJHMIHEIHVVBV-SJORKVTESA-N 2 2 334.508 2.972 20 30 EFEDLP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055447 1287531770 /nfs/dbraw/zinc/53/17/70/1287531770.db2.gz FTJHMIHEIHVVBV-IAGOWNOFSA-N 2 2 334.508 2.972 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926039 1281946011 /nfs/dbraw/zinc/94/60/11/1281946011.db2.gz NTNFXKVRCWBIJX-MRXNPFEDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926039 1281946023 /nfs/dbraw/zinc/94/60/23/1281946023.db2.gz NTNFXKVRCWBIJX-MRXNPFEDSA-N 2 2 330.476 2.621 20 30 EFEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086945956 1281980997 /nfs/dbraw/zinc/98/09/97/1281980997.db2.gz MHSKYNHRBBGBJF-QZTJIDSGSA-N 2 2 342.487 2.561 20 30 EFEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946176 1281983151 /nfs/dbraw/zinc/98/31/51/1281983151.db2.gz SATCIZOTKLPHCA-ZWKOTPCHSA-N 2 2 342.487 2.561 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086947890 1281988591 /nfs/dbraw/zinc/98/85/91/1281988591.db2.gz KAJKESCKHLKFRU-IRXDYDNUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086947890 1281988593 /nfs/dbraw/zinc/98/85/93/1281988593.db2.gz KAJKESCKHLKFRU-IRXDYDNUSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954423 1282021998 /nfs/dbraw/zinc/02/19/98/1282021998.db2.gz KSFJJRDQQVEJKT-HNNXBMFYSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001086955217 1282022737 /nfs/dbraw/zinc/02/27/37/1282022737.db2.gz HMNHKOPHJKPDCK-KRWDZBQOSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098229 1287594177 /nfs/dbraw/zinc/59/41/77/1287594177.db2.gz VPUYLGKGBBIWIW-HOTGVXAUSA-N 2 2 326.444 2.935 20 30 EFEDLP C=CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125611 1283004138 /nfs/dbraw/zinc/00/41/38/1283004138.db2.gz XNEXIRNZVVULAQ-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125611 1283004153 /nfs/dbraw/zinc/00/41/53/1283004153.db2.gz XNEXIRNZVVULAQ-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092863398 1283082972 /nfs/dbraw/zinc/08/29/72/1283082972.db2.gz KTPKEZHLUGNSRL-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092863398 1283082977 /nfs/dbraw/zinc/08/29/77/1283082977.db2.gz KTPKEZHLUGNSRL-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093099829 1283223603 /nfs/dbraw/zinc/22/36/03/1283223603.db2.gz KDHCXSRSQZJGNN-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093099829 1283223611 /nfs/dbraw/zinc/22/36/11/1283223611.db2.gz KDHCXSRSQZJGNN-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751102 1283404484 /nfs/dbraw/zinc/40/44/84/1283404484.db2.gz YCJLUQMKOLZKJI-SUMWQHHRSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751102 1283404490 /nfs/dbraw/zinc/40/44/90/1283404490.db2.gz YCJLUQMKOLZKJI-SUMWQHHRSA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494963 1283767133 /nfs/dbraw/zinc/76/71/33/1283767133.db2.gz ZKPKRTJJKAMMBP-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494963 1283767145 /nfs/dbraw/zinc/76/71/45/1283767145.db2.gz ZKPKRTJJKAMMBP-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508000 1283793813 /nfs/dbraw/zinc/79/38/13/1283793813.db2.gz BDEAICBPVLAIEQ-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508000 1283793819 /nfs/dbraw/zinc/79/38/19/1283793819.db2.gz BDEAICBPVLAIEQ-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381532 1283848389 /nfs/dbraw/zinc/84/83/89/1283848389.db2.gz OXAFAMCEROLJJK-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001093381532 1283848402 /nfs/dbraw/zinc/84/84/02/1283848402.db2.gz OXAFAMCEROLJJK-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171409986 1283975604 /nfs/dbraw/zinc/97/56/04/1283975604.db2.gz QOHVLUKWXADGDP-ROUUACIJSA-N 2 2 332.492 2.758 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132825354 1284336633 /nfs/dbraw/zinc/33/66/33/1284336633.db2.gz YNPYTZKQCLCPRU-MAUKXSAKSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036861119 1284381183 /nfs/dbraw/zinc/38/11/83/1284381183.db2.gz UDVHWLMTVGBJRQ-HKUYNNGSSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC001036861119 1284381185 /nfs/dbraw/zinc/38/11/85/1284381185.db2.gz UDVHWLMTVGBJRQ-HKUYNNGSSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919312 1284466663 /nfs/dbraw/zinc/46/66/63/1284466663.db2.gz IFVIOHJARCDEKR-FUHWJXTLSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919809 1284467640 /nfs/dbraw/zinc/46/76/40/1284467640.db2.gz NGXYTHLMKWYHGZ-HOCLYGCPSA-N 2 2 326.444 2.827 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132920631 1284469117 /nfs/dbraw/zinc/46/91/17/1284469117.db2.gz TVCXRGAFHXRVCR-GOEBONIOSA-N 2 2 326.444 2.827 20 30 EFEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132925001 1284474268 /nfs/dbraw/zinc/47/42/68/1284474268.db2.gz SKWTYQQYNSFVGQ-WMZOPIPTSA-N 2 2 345.487 2.673 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982556 1284568256 /nfs/dbraw/zinc/56/82/56/1284568256.db2.gz SUAIEAYHRLLXOH-IAGOWNOFSA-N 2 2 340.471 2.988 20 30 EFEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133001725 1284590209 /nfs/dbraw/zinc/59/02/09/1284590209.db2.gz FUYQKBBQGUYRGZ-KSSFIOAISA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174272 1287726157 /nfs/dbraw/zinc/72/61/57/1287726157.db2.gz DZGYIGRLWGJSBF-QGZVFWFLSA-N 2 2 334.508 2.974 20 30 EFEDLP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174271 1287726882 /nfs/dbraw/zinc/72/68/82/1287726882.db2.gz DZGYIGRLWGJSBF-KRWDZBQOSA-N 2 2 334.508 2.974 20 30 EFEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001133012854 1284655848 /nfs/dbraw/zinc/65/58/48/1284655848.db2.gz VGGNCPHODIXWOD-WMZOPIPTSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133242068 1285037763 /nfs/dbraw/zinc/03/77/63/1285037763.db2.gz NDNHTZJEHQGXFJ-TZMCWYRMSA-N 2 2 338.883 2.514 20 30 EFEDLP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355222 1285249634 /nfs/dbraw/zinc/24/96/34/1285249634.db2.gz WMCPJZOQFPNMKD-ROUUACIJSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001133407338 1285366413 /nfs/dbraw/zinc/36/64/13/1285366413.db2.gz CYQCOWBXEXKYAZ-UHFFFAOYSA-N 2 2 346.862 2.800 20 30 EFEDLP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001133426905 1285400551 /nfs/dbraw/zinc/40/05/51/1285400551.db2.gz CEHLXJGGQJHMFZ-UHFFFAOYSA-N 2 2 346.862 2.731 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171485970 1285564691 /nfs/dbraw/zinc/56/46/91/1285564691.db2.gz GSEVUCGLEXXGSJ-MRXNPFEDSA-N 2 2 333.476 2.864 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486716 1285568352 /nfs/dbraw/zinc/56/83/52/1285568352.db2.gz NYVFUCLZCRRCLV-INIZCTEOSA-N 2 2 333.476 2.864 20 30 EFEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171529852 1285633369 /nfs/dbraw/zinc/63/33/69/1285633369.db2.gz ZTCMWLPPTLKZQK-OAHLLOKOSA-N 2 2 344.459 2.644 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179009196 1289020485 /nfs/dbraw/zinc/02/04/85/1289020485.db2.gz BQXPICFEQCFPEX-SCTDSRPQSA-N 2 2 346.519 2.995 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCOc2ccccc2)cc1 ZINC000747838836 1285672568 /nfs/dbraw/zinc/67/25/68/1285672568.db2.gz NVYMIZLNNYVEMZ-UHFFFAOYSA-N 2 2 327.428 2.854 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604191 1285673429 /nfs/dbraw/zinc/67/34/29/1285673429.db2.gz HRYDPWYHKATADG-GOEBONIOSA-N 2 2 332.492 2.664 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604191 1285673433 /nfs/dbraw/zinc/67/34/33/1285673433.db2.gz HRYDPWYHKATADG-GOEBONIOSA-N 2 2 332.492 2.664 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896878 1285883944 /nfs/dbraw/zinc/88/39/44/1285883944.db2.gz WNWJNSDKDVMCBM-DLBZAZTESA-N 2 2 334.508 2.972 20 30 EFEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171941866 1285938135 /nfs/dbraw/zinc/93/81/35/1285938135.db2.gz DDQCXZHTUPTZDV-MRXNPFEDSA-N 2 2 326.444 2.937 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001172217654 1286054846 /nfs/dbraw/zinc/05/48/46/1286054846.db2.gz IBAASEMGQGBCRI-IHWFROFDSA-N 2 2 325.456 2.822 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134744119 1287139171 /nfs/dbraw/zinc/13/91/71/1287139171.db2.gz JDVMLRKDXZBJPT-OLZOCXBDSA-N 2 2 326.872 2.552 20 30 EFEDLP C=CCCCCC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135309730 1287936093 /nfs/dbraw/zinc/93/60/93/1287936093.db2.gz GGMGZWIBGHFHRL-UHFFFAOYSA-N 2 2 328.460 2.637 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769483 1288126851 /nfs/dbraw/zinc/12/68/51/1288126851.db2.gz MPKMCIZLVNFNKC-FUHWJXTLSA-N 2 2 332.492 2.525 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176869750 1288155971 /nfs/dbraw/zinc/15/59/71/1288155971.db2.gz ABYGILHGIJEXOK-OAHLLOKOSA-N 2 2 335.517 2.557 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176869750 1288155976 /nfs/dbraw/zinc/15/59/76/1288155976.db2.gz ABYGILHGIJEXOK-OAHLLOKOSA-N 2 2 335.517 2.557 20 30 EFEDLP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177301324 1288362817 /nfs/dbraw/zinc/36/28/17/1288362817.db2.gz VVLNTVHDCQCMOQ-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466921 1288431885 /nfs/dbraw/zinc/43/18/85/1288431885.db2.gz KVZFZGZJKUPEGC-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840608 1288472121 /nfs/dbraw/zinc/47/21/21/1288472121.db2.gz MKYROZRNXFDGEU-CVEARBPZSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001178536240 1288808186 /nfs/dbraw/zinc/80/81/86/1288808186.db2.gz RWGUHLCILFPZIW-SFHVURJKSA-N 2 2 347.507 2.632 20 30 EFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001178536240 1288808189 /nfs/dbraw/zinc/80/81/89/1288808189.db2.gz RWGUHLCILFPZIW-SFHVURJKSA-N 2 2 347.507 2.632 20 30 EFEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704088 1288879065 /nfs/dbraw/zinc/87/90/65/1288879065.db2.gz MUSYEEDCOASNFX-RDJZCZTQSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808181 1288918703 /nfs/dbraw/zinc/91/87/03/1288918703.db2.gz AXGCPJAOOBCLTE-UHFFFAOYSA-N 2 2 340.899 2.945 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179019348 1289006811 /nfs/dbraw/zinc/00/68/11/1289006811.db2.gz TXTKBWPHFNKVBZ-BZSNNMDCSA-N 2 2 346.519 2.995 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165838351 1312690937 /nfs/dbraw/zinc/69/09/37/1312690937.db2.gz ZKSUZVFZMPUDLV-SJORKVTESA-N 2 2 344.503 2.676 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179692853 1289222443 /nfs/dbraw/zinc/22/24/43/1289222443.db2.gz UTJBGMYXZJZTKU-BQFCYCMXSA-N 2 2 332.492 2.914 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179692853 1289222447 /nfs/dbraw/zinc/22/24/47/1289222447.db2.gz UTJBGMYXZJZTKU-BQFCYCMXSA-N 2 2 332.492 2.914 20 30 EFEDLP CC#CC[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179973066 1289344436 /nfs/dbraw/zinc/34/44/36/1289344436.db2.gz NEDFRXCEVIFSCZ-UHFFFAOYSA-N 2 2 338.455 2.775 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC001180198359 1289456918 /nfs/dbraw/zinc/45/69/18/1289456918.db2.gz VCHQNCOCFIFBLI-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC001180198359 1289456921 /nfs/dbraw/zinc/45/69/21/1289456921.db2.gz VCHQNCOCFIFBLI-RDJZCZTQSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181885016 1289989685 /nfs/dbraw/zinc/98/96/85/1289989685.db2.gz OZJBNTOROGTWAI-DNVCBOLYSA-N 2 2 332.492 2.577 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182579285 1290224319 /nfs/dbraw/zinc/22/43/19/1290224319.db2.gz BMWUPBLCJCDSDQ-RHSMWYFYSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767793 1290250567 /nfs/dbraw/zinc/25/05/67/1290250567.db2.gz LMEUSLOGEOLGHH-UKPHBRMFSA-N 2 2 338.883 2.661 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001166422690 1312774431 /nfs/dbraw/zinc/77/44/31/1312774431.db2.gz NUJMQIPFZBLTPH-UHFFFAOYSA-N 2 2 338.455 2.938 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183304697 1290327349 /nfs/dbraw/zinc/32/73/49/1290327349.db2.gz YAFYMOLTYFZJGY-MBOZVWFJSA-N 2 2 346.519 2.782 20 30 EFEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575522 1290368405 /nfs/dbraw/zinc/36/84/05/1290368405.db2.gz XKFDGYCAASTJFZ-IEBWSBKVSA-N 2 2 332.492 2.704 20 30 EFEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184400031 1290455316 /nfs/dbraw/zinc/45/53/16/1290455316.db2.gz RGBGIUABZMSJPC-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399753 1290455525 /nfs/dbraw/zinc/45/55/25/1290455525.db2.gz NAWRZIGEVUIEAR-YJBOKZPZSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184651420 1290488521 /nfs/dbraw/zinc/48/85/21/1290488521.db2.gz FLBQYDHAXRFIIO-FUHWJXTLSA-N 2 2 346.519 2.967 20 30 EFEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184652164 1290489125 /nfs/dbraw/zinc/48/91/25/1290489125.db2.gz LHDUFZKFOSCULF-AEFFLSMTSA-N 2 2 346.519 2.967 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184653891 1290490241 /nfs/dbraw/zinc/49/02/41/1290490241.db2.gz SRXZBGQCSYYWGQ-CABCVRRESA-N 2 2 326.444 2.827 20 30 EFEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184850057 1290525888 /nfs/dbraw/zinc/52/58/88/1290525888.db2.gz BFTHKDYMFRANPS-QAPCUYQASA-N 2 2 327.472 2.718 20 30 EFEDLP C=CCCCC[N@H+]1CCCC[C@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273500049 1290627121 /nfs/dbraw/zinc/62/71/21/1290627121.db2.gz HRCXTMYEJMNXHH-LJQANCHMSA-N 2 2 330.476 2.733 20 30 EFEDLP C=CCCCC[N@@H+]1CCCC[C@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273500049 1290627131 /nfs/dbraw/zinc/62/71/31/1290627131.db2.gz HRCXTMYEJMNXHH-LJQANCHMSA-N 2 2 330.476 2.733 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185490763 1290704357 /nfs/dbraw/zinc/70/43/57/1290704357.db2.gz BXPHUHRJTWKWKC-JKSUJKDBSA-N 2 2 332.492 2.728 20 30 EFEDLP Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C#N)c1 ZINC001232965123 1312820208 /nfs/dbraw/zinc/82/02/08/1312820208.db2.gz MTEOTFDFHZMRPV-UHFFFAOYSA-N 2 2 349.482 2.717 20 30 EFEDLP Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C#N)c1 ZINC001232965123 1312820212 /nfs/dbraw/zinc/82/02/12/1312820212.db2.gz MTEOTFDFHZMRPV-UHFFFAOYSA-N 2 2 349.482 2.717 20 30 EFEDLP COC1CC[NH+](C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC001137122631 1291279485 /nfs/dbraw/zinc/27/94/85/1291279485.db2.gz LKJFSOFCAFPGTP-UHFFFAOYSA-N 2 2 343.471 2.664 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001188188513 1291328049 /nfs/dbraw/zinc/32/80/49/1291328049.db2.gz YPBVXHUDIWMQTR-MOPGFXCFSA-N 2 2 346.519 2.845 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286396 1291367019 /nfs/dbraw/zinc/36/70/19/1291367019.db2.gz SQEQAYBDGHNMMZ-RCCFBDPRSA-N 2 2 330.476 2.579 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286396 1291367026 /nfs/dbraw/zinc/36/70/26/1291367026.db2.gz SQEQAYBDGHNMMZ-RCCFBDPRSA-N 2 2 330.476 2.579 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188630047 1291437090 /nfs/dbraw/zinc/43/70/90/1291437090.db2.gz JYEBABGJVXRUOT-ZWKOTPCHSA-N 2 2 346.519 2.856 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188630047 1291437096 /nfs/dbraw/zinc/43/70/96/1291437096.db2.gz JYEBABGJVXRUOT-ZWKOTPCHSA-N 2 2 346.519 2.856 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126204 1291509219 /nfs/dbraw/zinc/50/92/19/1291509219.db2.gz UQGHQNRXAUMOJQ-FPOVZHCZSA-N 2 2 339.483 2.845 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126204 1291509228 /nfs/dbraw/zinc/50/92/28/1291509228.db2.gz UQGHQNRXAUMOJQ-FPOVZHCZSA-N 2 2 339.483 2.845 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511300 1291697232 /nfs/dbraw/zinc/69/72/32/1291697232.db2.gz IJUHSTZZLSPIJI-UXHICEINSA-N 2 2 327.472 2.843 20 30 EFEDLP CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000878511300 1291697240 /nfs/dbraw/zinc/69/72/40/1291697240.db2.gz IJUHSTZZLSPIJI-UXHICEINSA-N 2 2 327.472 2.843 20 30 EFEDLP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957614980 1291885445 /nfs/dbraw/zinc/88/54/45/1291885445.db2.gz SHPZLABQXVZFDH-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC000957635709 1291934710 /nfs/dbraw/zinc/93/47/10/1291934710.db2.gz HKGDNMZKBGNANE-UHFFFAOYSA-N 2 2 344.503 2.633 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942443 1291942830 /nfs/dbraw/zinc/94/28/30/1291942830.db2.gz PKOIBIBCSHTPQB-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942443 1291942836 /nfs/dbraw/zinc/94/28/36/1291942836.db2.gz PKOIBIBCSHTPQB-FUHWJXTLSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190178144 1292045829 /nfs/dbraw/zinc/04/58/29/1292045829.db2.gz UBZAIFWGZBBYCZ-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190178144 1292045837 /nfs/dbraw/zinc/04/58/37/1292045837.db2.gz UBZAIFWGZBBYCZ-KRWDZBQOSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261055 1292086983 /nfs/dbraw/zinc/08/69/83/1292086983.db2.gz ZALAYPIHSLIVIJ-WMZOPIPTSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190261055 1292086992 /nfs/dbraw/zinc/08/69/92/1292086992.db2.gz ZALAYPIHSLIVIJ-WMZOPIPTSA-N 2 2 344.503 2.649 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001233384553 1312919226 /nfs/dbraw/zinc/91/92/26/1312919226.db2.gz ZLJZQHMXPBKWDW-IAGOWNOFSA-N 2 2 339.464 2.889 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989231 1292416558 /nfs/dbraw/zinc/41/65/58/1292416558.db2.gz MVRIHKWFBMJWOL-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989231 1292416562 /nfs/dbraw/zinc/41/65/62/1292416562.db2.gz MVRIHKWFBMJWOL-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010394 1292423531 /nfs/dbraw/zinc/42/35/31/1292423531.db2.gz LRCLUDHOXGNXEY-IEBWSBKVSA-N 2 2 346.519 2.949 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010394 1292423536 /nfs/dbraw/zinc/42/35/36/1292423536.db2.gz LRCLUDHOXGNXEY-IEBWSBKVSA-N 2 2 346.519 2.949 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001016685399 1312924846 /nfs/dbraw/zinc/92/48/46/1312924846.db2.gz ONBBRNIMFPEOQL-GOSISDBHSA-N 2 2 343.471 2.570 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513945 1312949142 /nfs/dbraw/zinc/94/91/42/1312949142.db2.gz XWWAFOCUNKIGHS-DLBZAZTESA-N 2 2 345.512 2.512 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049513945 1312949146 /nfs/dbraw/zinc/94/91/46/1312949146.db2.gz XWWAFOCUNKIGHS-DLBZAZTESA-N 2 2 345.512 2.512 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203540209 1312950738 /nfs/dbraw/zinc/95/07/38/1312950738.db2.gz UIIBDGUZQTZWLL-JKSUJKDBSA-N 2 2 330.476 2.716 20 30 EFEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001203563701 1312957083 /nfs/dbraw/zinc/95/70/83/1312957083.db2.gz RGJYVDRXSPVDRR-MOPGFXCFSA-N 2 2 348.450 2.526 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524819 1312966022 /nfs/dbraw/zinc/96/60/22/1312966022.db2.gz BMJWRZNUQWJNIZ-AHCXZYCDSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049524819 1312966024 /nfs/dbraw/zinc/96/60/24/1312966024.db2.gz BMJWRZNUQWJNIZ-AHCXZYCDSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524819 1312966028 /nfs/dbraw/zinc/96/60/28/1312966028.db2.gz BMJWRZNUQWJNIZ-AHCXZYCDSA-N 2 2 328.460 2.545 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049524819 1312966032 /nfs/dbraw/zinc/96/60/32/1312966032.db2.gz BMJWRZNUQWJNIZ-AHCXZYCDSA-N 2 2 328.460 2.545 20 30 EFEDLP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605642 1312969400 /nfs/dbraw/zinc/96/94/00/1312969400.db2.gz LDZJYGUDLRXSGF-ZWKOTPCHSA-N 2 2 346.519 2.950 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000883131637 1293474079 /nfs/dbraw/zinc/47/40/79/1293474079.db2.gz LCZWFVRILPMREY-UHFFFAOYSA-N 2 2 328.435 2.673 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000883131637 1293474081 /nfs/dbraw/zinc/47/40/81/1293474081.db2.gz LCZWFVRILPMREY-UHFFFAOYSA-N 2 2 328.435 2.673 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572004 1313034198 /nfs/dbraw/zinc/03/41/98/1313034198.db2.gz JBAAMLHZYYIMCS-DLBZAZTESA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572004 1313034201 /nfs/dbraw/zinc/03/42/01/1313034201.db2.gz JBAAMLHZYYIMCS-DLBZAZTESA-N 2 2 344.846 2.766 20 30 EFEDLP C=CCCC[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195852603 1294047215 /nfs/dbraw/zinc/04/72/15/1294047215.db2.gz CBVPWFIANJUGRJ-UHFFFAOYSA-N 2 2 326.444 2.757 20 30 EFEDLP C=CCCC[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195852603 1294047221 /nfs/dbraw/zinc/04/72/21/1294047221.db2.gz CBVPWFIANJUGRJ-UHFFFAOYSA-N 2 2 326.444 2.757 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001195907775 1294075373 /nfs/dbraw/zinc/07/53/73/1294075373.db2.gz PIOIIALZTHZQTE-QGZVFWFLSA-N 2 2 344.503 2.651 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001195907775 1294075379 /nfs/dbraw/zinc/07/53/79/1294075379.db2.gz PIOIIALZTHZQTE-QGZVFWFLSA-N 2 2 344.503 2.651 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203932645 1313050542 /nfs/dbraw/zinc/05/05/42/1313050542.db2.gz MMDLKYNIACWKRZ-VQIMIIECSA-N 2 2 344.503 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242761 1294183055 /nfs/dbraw/zinc/18/30/55/1294183055.db2.gz MWDTUSXABYQHNF-GOSISDBHSA-N 2 2 332.492 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242761 1294183059 /nfs/dbraw/zinc/18/30/59/1294183059.db2.gz MWDTUSXABYQHNF-GOSISDBHSA-N 2 2 332.492 2.971 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196332244 1294200818 /nfs/dbraw/zinc/20/08/18/1294200818.db2.gz KAEUSXGXZASQQN-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196332244 1294200825 /nfs/dbraw/zinc/20/08/25/1294200825.db2.gz KAEUSXGXZASQQN-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589692 1313058477 /nfs/dbraw/zinc/05/84/77/1313058477.db2.gz AWCPEWUGSPXKSJ-IAGOWNOFSA-N 2 2 344.846 2.766 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589692 1313058481 /nfs/dbraw/zinc/05/84/81/1313058481.db2.gz AWCPEWUGSPXKSJ-IAGOWNOFSA-N 2 2 344.846 2.766 20 30 EFEDLP CCc1cccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303768618 1294577877 /nfs/dbraw/zinc/57/78/77/1294577877.db2.gz ALWHPUREZRHISA-GASCZTMLSA-N 2 2 332.492 2.863 20 30 EFEDLP CCc1cccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303768618 1294577884 /nfs/dbraw/zinc/57/78/84/1294577884.db2.gz ALWHPUREZRHISA-GASCZTMLSA-N 2 2 332.492 2.863 20 30 EFEDLP CCc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000303780770 1294579791 /nfs/dbraw/zinc/57/97/91/1294579791.db2.gz LPLDSGSGNMJFLA-GJZGRUSLSA-N 2 2 332.492 2.863 20 30 EFEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1cccc(F)c1 ZINC000303785989 1294580801 /nfs/dbraw/zinc/58/08/01/1294580801.db2.gz QWSLBXUVKWEYQY-GOSISDBHSA-N 2 2 328.435 2.575 20 30 EFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C#N)cc1 ZINC001198018874 1294835250 /nfs/dbraw/zinc/83/52/50/1294835250.db2.gz MNPKGLMXRHNJAF-LJQANCHMSA-N 2 2 342.487 2.588 20 30 EFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C#N)cc1 ZINC001198018874 1294835260 /nfs/dbraw/zinc/83/52/60/1294835260.db2.gz MNPKGLMXRHNJAF-LJQANCHMSA-N 2 2 342.487 2.588 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626671 1313106004 /nfs/dbraw/zinc/10/60/04/1313106004.db2.gz NAWDRFBZSQEJOL-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049626671 1313106005 /nfs/dbraw/zinc/10/60/05/1313106005.db2.gz NAWDRFBZSQEJOL-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP CC(C)C[C@H](C#N)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198035931 1294856746 /nfs/dbraw/zinc/85/67/46/1294856746.db2.gz DPANUMHHWTZJSE-LJQANCHMSA-N 2 2 344.503 2.738 20 30 EFEDLP CC(C)C[C@H](C#N)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198035931 1294856755 /nfs/dbraw/zinc/85/67/55/1294856755.db2.gz DPANUMHHWTZJSE-LJQANCHMSA-N 2 2 344.503 2.738 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435973 1313128098 /nfs/dbraw/zinc/12/80/98/1313128098.db2.gz MUXDVRZOAOHPFM-WMZOPIPTSA-N 2 2 344.503 2.649 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435973 1313128102 /nfs/dbraw/zinc/12/81/02/1313128102.db2.gz MUXDVRZOAOHPFM-WMZOPIPTSA-N 2 2 344.503 2.649 20 30 EFEDLP N#Cc1cc(F)ccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275425420 1296278777 /nfs/dbraw/zinc/27/87/77/1296278777.db2.gz PIRJJVGEUNKJIQ-UHFFFAOYSA-N 2 2 339.418 2.518 20 30 EFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425674 1296279640 /nfs/dbraw/zinc/27/96/40/1296279640.db2.gz RFAFLSYHECKJRJ-FQEVSTJZSA-N 2 2 344.478 2.547 20 30 EFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425674 1296279649 /nfs/dbraw/zinc/27/96/49/1296279649.db2.gz RFAFLSYHECKJRJ-FQEVSTJZSA-N 2 2 344.478 2.547 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119391 1313236773 /nfs/dbraw/zinc/23/67/73/1313236773.db2.gz RTWORYWIWPEAJV-UHFFFAOYSA-N 2 2 332.492 2.917 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049759634 1313268404 /nfs/dbraw/zinc/26/84/04/1313268404.db2.gz RBSVJRTVECGNRU-HRCADAONSA-N 2 2 336.867 2.652 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049759634 1313268409 /nfs/dbraw/zinc/26/84/09/1313268409.db2.gz RBSVJRTVECGNRU-HRCADAONSA-N 2 2 336.867 2.652 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001201224601 1296672047 /nfs/dbraw/zinc/67/20/47/1296672047.db2.gz ZNZFRJLDNNCXLQ-HNNXBMFYSA-N 2 2 331.460 2.568 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782889 1313296470 /nfs/dbraw/zinc/29/64/70/1313296470.db2.gz RWWPJKBIRZECLH-BPQIPLTHSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782889 1313296473 /nfs/dbraw/zinc/29/64/73/1313296473.db2.gz RWWPJKBIRZECLH-BPQIPLTHSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049782889 1313296476 /nfs/dbraw/zinc/29/64/76/1313296476.db2.gz RWWPJKBIRZECLH-BPQIPLTHSA-N 2 2 330.476 2.620 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049782889 1313296479 /nfs/dbraw/zinc/29/64/79/1313296479.db2.gz RWWPJKBIRZECLH-BPQIPLTHSA-N 2 2 330.476 2.620 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201333501 1296745065 /nfs/dbraw/zinc/74/50/65/1296745065.db2.gz AZOGCYJDWRQDPK-KRWDZBQOSA-N 2 2 346.519 2.997 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201335155 1296746808 /nfs/dbraw/zinc/74/68/08/1296746808.db2.gz IKXLKMAXYJEQJE-QGZVFWFLSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCCCCC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001201745079 1297044390 /nfs/dbraw/zinc/04/43/90/1297044390.db2.gz UBLUVZVDZKJSLN-UHFFFAOYSA-N 2 2 332.492 2.680 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819285 1313340079 /nfs/dbraw/zinc/34/00/79/1313340079.db2.gz DQTUZDHCQKXMLV-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819285 1313340083 /nfs/dbraw/zinc/34/00/83/1313340083.db2.gz DQTUZDHCQKXMLV-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP N#CCc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001235516279 1313342793 /nfs/dbraw/zinc/34/27/93/1313342793.db2.gz UHDYJLWMZLFIQE-OYRHEFFESA-N 2 2 332.451 2.711 20 30 EFEDLP N#CCc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001235516279 1313342796 /nfs/dbraw/zinc/34/27/96/1313342796.db2.gz UHDYJLWMZLFIQE-OYRHEFFESA-N 2 2 332.451 2.711 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001235516279 1313342802 /nfs/dbraw/zinc/34/28/02/1313342802.db2.gz UHDYJLWMZLFIQE-OYRHEFFESA-N 2 2 332.451 2.711 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001235516279 1313342805 /nfs/dbraw/zinc/34/28/05/1313342805.db2.gz UHDYJLWMZLFIQE-OYRHEFFESA-N 2 2 332.451 2.711 20 30 EFEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821397 1313343001 /nfs/dbraw/zinc/34/30/01/1313343001.db2.gz XMPUDURCRWAUFP-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821397 1313343003 /nfs/dbraw/zinc/34/30/03/1313343003.db2.gz XMPUDURCRWAUFP-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821395 1313343487 /nfs/dbraw/zinc/34/34/87/1313343487.db2.gz XMPUDURCRWAUFP-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821395 1313343491 /nfs/dbraw/zinc/34/34/91/1313343491.db2.gz XMPUDURCRWAUFP-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP COC1CC[NH+](C2CC[NH+](Cc3ccccc3CC#N)CC2)CC1 ZINC001235528237 1313344839 /nfs/dbraw/zinc/34/48/39/1313344839.db2.gz OVARFEHTIURILF-UHFFFAOYSA-N 2 2 327.472 2.828 20 30 EFEDLP C=C(C)COc1ccccc1CN1CC[NH+](C2(C)CC[NH2+]CC2)CC1 ZINC001235814937 1313403765 /nfs/dbraw/zinc/40/37/65/1313403765.db2.gz HESPHTNYQJPXKN-UHFFFAOYSA-N 2 2 343.515 2.901 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171941 1298246623 /nfs/dbraw/zinc/24/66/23/1298246623.db2.gz VBLJSBVXHUIDPE-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171941 1298246632 /nfs/dbraw/zinc/24/66/32/1298246632.db2.gz VBLJSBVXHUIDPE-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961171941 1298246640 /nfs/dbraw/zinc/24/66/40/1298246640.db2.gz VBLJSBVXHUIDPE-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961171941 1298246646 /nfs/dbraw/zinc/24/66/46/1298246646.db2.gz VBLJSBVXHUIDPE-MSOLQXFVSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193896 1298288819 /nfs/dbraw/zinc/28/88/19/1298288819.db2.gz GCROVHRBIIBXBB-ROUUACIJSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000961193896 1298288829 /nfs/dbraw/zinc/28/88/29/1298288829.db2.gz GCROVHRBIIBXBB-ROUUACIJSA-N 2 2 344.503 2.673 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961359453 1298613120 /nfs/dbraw/zinc/61/31/20/1298613120.db2.gz LOXIZZRTIPGNTD-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961359453 1298613128 /nfs/dbraw/zinc/61/31/28/1298613128.db2.gz LOXIZZRTIPGNTD-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961359458 1298613375 /nfs/dbraw/zinc/61/33/75/1298613375.db2.gz LOXIZZRTIPGNTD-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961359458 1298613376 /nfs/dbraw/zinc/61/33/76/1298613376.db2.gz LOXIZZRTIPGNTD-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872523 1313532004 /nfs/dbraw/zinc/53/20/04/1313532004.db2.gz IJCKLELRHUSZEL-UHFFFAOYSA-N 2 2 332.492 2.537 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961417678 1298720665 /nfs/dbraw/zinc/72/06/65/1298720665.db2.gz ZUQXALYVZONWBP-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961417678 1298720668 /nfs/dbraw/zinc/72/06/68/1298720668.db2.gz ZUQXALYVZONWBP-GOSISDBHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961418125 1298722977 /nfs/dbraw/zinc/72/29/77/1298722977.db2.gz YAYAAAYQTXGDSP-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961418125 1298722981 /nfs/dbraw/zinc/72/29/81/1298722981.db2.gz YAYAAAYQTXGDSP-SFHVURJKSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961432252 1298737827 /nfs/dbraw/zinc/73/78/27/1298737827.db2.gz QITRRZRLGASIQY-GOSISDBHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961432252 1298737841 /nfs/dbraw/zinc/73/78/41/1298737841.db2.gz QITRRZRLGASIQY-GOSISDBHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490540504 1298949886 /nfs/dbraw/zinc/94/98/86/1298949886.db2.gz JSCXAJDFYXPGEI-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490540504 1298949901 /nfs/dbraw/zinc/94/99/01/1298949901.db2.gz JSCXAJDFYXPGEI-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=CC[NH2+]CCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001237014034 1313570283 /nfs/dbraw/zinc/57/02/83/1313570283.db2.gz BPARTJYXZODFOW-MRXNPFEDSA-N 2 2 327.394 2.511 20 30 EFEDLP C=CC[NH2+]CCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001237014034 1313570285 /nfs/dbraw/zinc/57/02/85/1313570285.db2.gz BPARTJYXZODFOW-MRXNPFEDSA-N 2 2 327.394 2.511 20 30 EFEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cc(C#N)cnn3)cc2)CC1 ZINC000853361419 1300095373 /nfs/dbraw/zinc/09/53/73/1300095373.db2.gz ORBFUOLAHYOJQY-UHFFFAOYSA-N 2 2 336.443 2.870 20 30 EFEDLP N#Cc1ccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)cc1 ZINC001278135496 1313696607 /nfs/dbraw/zinc/69/66/07/1313696607.db2.gz VBGUXUMAJZQMGU-OYRHEFFESA-N 2 2 349.482 2.536 20 30 EFEDLP N#Cc1ccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)cc1 ZINC001278135496 1313696609 /nfs/dbraw/zinc/69/66/09/1313696609.db2.gz VBGUXUMAJZQMGU-OYRHEFFESA-N 2 2 349.482 2.536 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963298967 1300543358 /nfs/dbraw/zinc/54/33/58/1300543358.db2.gz QFZBGWHVPQIYNT-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963298967 1300543364 /nfs/dbraw/zinc/54/33/64/1300543364.db2.gz QFZBGWHVPQIYNT-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299210 1300545084 /nfs/dbraw/zinc/54/50/84/1300545084.db2.gz RWUWUOCCQBTPDS-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299210 1300545087 /nfs/dbraw/zinc/54/50/87/1300545087.db2.gz RWUWUOCCQBTPDS-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337098 1300632565 /nfs/dbraw/zinc/63/25/65/1300632565.db2.gz KSZHLFBZGMGDFK-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000963337098 1300632570 /nfs/dbraw/zinc/63/25/70/1300632570.db2.gz KSZHLFBZGMGDFK-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374942 1300722232 /nfs/dbraw/zinc/72/22/32/1300722232.db2.gz SRAQWQZSCOVPMD-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374942 1300722238 /nfs/dbraw/zinc/72/22/38/1300722238.db2.gz SRAQWQZSCOVPMD-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386345 1300745751 /nfs/dbraw/zinc/74/57/51/1300745751.db2.gz OMKJVCNWZNNUOE-HZPDHXFCSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386345 1300745759 /nfs/dbraw/zinc/74/57/59/1300745759.db2.gz OMKJVCNWZNNUOE-HZPDHXFCSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401223 1300771067 /nfs/dbraw/zinc/77/10/67/1300771067.db2.gz FQVDVZDITVPKIU-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000963401223 1300771075 /nfs/dbraw/zinc/77/10/75/1300771075.db2.gz FQVDVZDITVPKIU-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963407999 1300783886 /nfs/dbraw/zinc/78/38/86/1300783886.db2.gz TVMPDLGAQPABEO-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963407999 1300783893 /nfs/dbraw/zinc/78/38/93/1300783893.db2.gz TVMPDLGAQPABEO-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963407994 1300784049 /nfs/dbraw/zinc/78/40/49/1300784049.db2.gz TVMPDLGAQPABEO-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963407994 1300784057 /nfs/dbraw/zinc/78/40/57/1300784057.db2.gz TVMPDLGAQPABEO-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963408002 1300784098 /nfs/dbraw/zinc/78/40/98/1300784098.db2.gz TVMPDLGAQPABEO-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963408002 1300784107 /nfs/dbraw/zinc/78/41/07/1300784107.db2.gz TVMPDLGAQPABEO-PKOBYXMFSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409978 1300789016 /nfs/dbraw/zinc/78/90/16/1300789016.db2.gz YTPKMXKTWOJCLA-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963409978 1300789022 /nfs/dbraw/zinc/78/90/22/1300789022.db2.gz YTPKMXKTWOJCLA-WMZOPIPTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001018156885 1313718175 /nfs/dbraw/zinc/71/81/75/1313718175.db2.gz DVNHJFWVUHPCOX-ZVDOUQERSA-N 2 2 341.499 2.715 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001018156885 1313718178 /nfs/dbraw/zinc/71/81/78/1313718178.db2.gz DVNHJFWVUHPCOX-ZVDOUQERSA-N 2 2 341.499 2.715 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000963536905 1301010439 /nfs/dbraw/zinc/01/04/39/1301010439.db2.gz FGDJFUKRDNXIRJ-UHFFFAOYSA-N 2 2 332.492 2.862 20 30 EFEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001238084340 1313757264 /nfs/dbraw/zinc/75/72/64/1313757264.db2.gz POZWTZRTLHGGMD-UHFFFAOYSA-N 2 2 332.835 2.842 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207762676 1313767114 /nfs/dbraw/zinc/76/71/14/1313767114.db2.gz ZWESUPFBBZITSO-KZNAEPCWSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207762676 1313767118 /nfs/dbraw/zinc/76/71/18/1313767118.db2.gz ZWESUPFBBZITSO-KZNAEPCWSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207762673 1313767698 /nfs/dbraw/zinc/76/76/98/1313767698.db2.gz ZWESUPFBBZITSO-FGTMMUONSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207762673 1313767701 /nfs/dbraw/zinc/76/77/01/1313767701.db2.gz ZWESUPFBBZITSO-FGTMMUONSA-N 2 2 346.519 2.852 20 30 EFEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N2CCCC2)cc1O ZINC000748248762 1313831294 /nfs/dbraw/zinc/83/12/94/1313831294.db2.gz LAXZRAHDJYMWRM-UHFFFAOYSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365848 1313911971 /nfs/dbraw/zinc/91/19/71/1313911971.db2.gz TXOQARWDZIVZOS-GVDBMIGSSA-N 2 2 330.476 2.840 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365848 1313911974 /nfs/dbraw/zinc/91/19/74/1313911974.db2.gz TXOQARWDZIVZOS-GVDBMIGSSA-N 2 2 330.476 2.840 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001037855996 1303725717 /nfs/dbraw/zinc/72/57/17/1303725717.db2.gz QKQDODCAFBTORZ-NVXWUHKLSA-N 2 2 326.444 2.659 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208552111 1313959227 /nfs/dbraw/zinc/95/92/27/1313959227.db2.gz UEBMQJGERHRKOD-HZPDHXFCSA-N 2 2 326.444 2.883 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001037880710 1304129936 /nfs/dbraw/zinc/12/99/36/1304129936.db2.gz LAGDNCKDPYZPJJ-HZPDHXFCSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001097375235 1314002495 /nfs/dbraw/zinc/00/24/95/1314002495.db2.gz LYPUQGBTAZWWJZ-RGCFKVTRSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001097375235 1314002499 /nfs/dbraw/zinc/00/24/99/1314002499.db2.gz LYPUQGBTAZWWJZ-RGCFKVTRSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001097375235 1314002502 /nfs/dbraw/zinc/00/25/02/1314002502.db2.gz LYPUQGBTAZWWJZ-RGCFKVTRSA-N 2 2 342.487 2.511 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001097375235 1314002505 /nfs/dbraw/zinc/00/25/05/1314002505.db2.gz LYPUQGBTAZWWJZ-RGCFKVTRSA-N 2 2 342.487 2.511 20 30 EFEDLP Cc1[nH+]cn(-c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)nn2)c1C ZINC001240346409 1314022682 /nfs/dbraw/zinc/02/26/82/1314022682.db2.gz KAENBGFUXYNZEL-UHFFFAOYSA-N 2 2 330.395 2.505 20 30 EFEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498910 1305081796 /nfs/dbraw/zinc/08/17/96/1305081796.db2.gz PPURGYYHHFOLQV-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967498910 1305081805 /nfs/dbraw/zinc/08/18/05/1305081805.db2.gz PPURGYYHHFOLQV-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208859822 1314031366 /nfs/dbraw/zinc/03/13/66/1314031366.db2.gz USWMGQZNBHAWNA-SFTDATJTSA-N 2 2 346.478 2.950 20 30 EFEDLP Cc1cc(N2CC[NH+](CCCc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC001208858620 1314031460 /nfs/dbraw/zinc/03/14/60/1314031460.db2.gz ONXJMJZCHWHNLS-UHFFFAOYSA-N 2 2 335.455 2.720 20 30 EFEDLP N#Cc1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208858594 1314031642 /nfs/dbraw/zinc/03/16/42/1314031642.db2.gz IRRKPOQLRKARLX-FGZHOGPDSA-N 2 2 346.478 2.950 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1CC ZINC001037945767 1305128159 /nfs/dbraw/zinc/12/81/59/1305128159.db2.gz LHFMTJVNBSRNLU-WMZOPIPTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1CC ZINC001037958830 1305327182 /nfs/dbraw/zinc/32/71/82/1305327182.db2.gz KUAIKTFABITSML-QFBILLFUSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037967483 1305438741 /nfs/dbraw/zinc/43/87/41/1305438741.db2.gz PXEWTWIPCYNJBY-KBPBESRZSA-N 2 2 338.883 2.657 20 30 EFEDLP C=CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209160903 1314102623 /nfs/dbraw/zinc/10/26/23/1314102623.db2.gz DDRYQVDNTLHATG-SJLPKXTDSA-N 2 2 335.517 2.940 20 30 EFEDLP C=CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209160903 1314102625 /nfs/dbraw/zinc/10/26/25/1314102625.db2.gz DDRYQVDNTLHATG-SJLPKXTDSA-N 2 2 335.517 2.940 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209160903 1314102627 /nfs/dbraw/zinc/10/26/27/1314102627.db2.gz DDRYQVDNTLHATG-SJLPKXTDSA-N 2 2 335.517 2.940 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001209160903 1314102631 /nfs/dbraw/zinc/10/26/31/1314102631.db2.gz DDRYQVDNTLHATG-SJLPKXTDSA-N 2 2 335.517 2.940 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496947 1306400214 /nfs/dbraw/zinc/40/02/14/1306400214.db2.gz FURZNEIDSUVVSC-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968496947 1306400218 /nfs/dbraw/zinc/40/02/18/1306400218.db2.gz FURZNEIDSUVVSC-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994801 1306745273 /nfs/dbraw/zinc/74/52/73/1306745273.db2.gz QIEDPHOBQWFBPI-OHFALNGGSA-N 2 2 328.460 2.517 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994801 1306745279 /nfs/dbraw/zinc/74/52/79/1306745279.db2.gz QIEDPHOBQWFBPI-OHFALNGGSA-N 2 2 328.460 2.517 20 30 EFEDLP C=CCN(CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC001276635913 1314144922 /nfs/dbraw/zinc/14/49/22/1314144922.db2.gz ZAJDOWZVPLXLAX-LJQANCHMSA-N 2 2 337.508 2.827 20 30 EFEDLP C=CCN(CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC001276635913 1314144923 /nfs/dbraw/zinc/14/49/23/1314144923.db2.gz ZAJDOWZVPLXLAX-LJQANCHMSA-N 2 2 337.508 2.827 20 30 EFEDLP C=CCN(CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC001276635913 1314144924 /nfs/dbraw/zinc/14/49/24/1314144924.db2.gz ZAJDOWZVPLXLAX-LJQANCHMSA-N 2 2 337.508 2.827 20 30 EFEDLP C=CCN(CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC001276635913 1314144925 /nfs/dbraw/zinc/14/49/25/1314144925.db2.gz ZAJDOWZVPLXLAX-LJQANCHMSA-N 2 2 337.508 2.827 20 30 EFEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877318 1306749959 /nfs/dbraw/zinc/74/99/59/1306749959.db2.gz UARUYQGTROXCCA-QGZVFWFLSA-N 2 2 347.528 2.807 20 30 EFEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877318 1306749964 /nfs/dbraw/zinc/74/99/64/1306749964.db2.gz UARUYQGTROXCCA-QGZVFWFLSA-N 2 2 347.528 2.807 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925881 1306803563 /nfs/dbraw/zinc/80/35/63/1306803563.db2.gz OVRULXUMUJDZRM-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925881 1306803569 /nfs/dbraw/zinc/80/35/69/1306803569.db2.gz OVRULXUMUJDZRM-MSOLQXFVSA-N 2 2 344.503 2.773 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926311 1306805707 /nfs/dbraw/zinc/80/57/07/1306805707.db2.gz ZXRHFWXTWAFKPO-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000968926311 1306805708 /nfs/dbraw/zinc/80/57/08/1306805708.db2.gz ZXRHFWXTWAFKPO-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926311 1306805709 /nfs/dbraw/zinc/80/57/09/1306805709.db2.gz ZXRHFWXTWAFKPO-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000968926311 1306805710 /nfs/dbraw/zinc/80/57/10/1306805710.db2.gz ZXRHFWXTWAFKPO-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022427 1306899042 /nfs/dbraw/zinc/89/90/42/1306899042.db2.gz DPARAILVURYWNT-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022427 1306899046 /nfs/dbraw/zinc/89/90/46/1306899046.db2.gz DPARAILVURYWNT-HZPDHXFCSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969023245 1306900329 /nfs/dbraw/zinc/90/03/29/1306900329.db2.gz OHNNMGOZPDHEMV-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969023245 1306900331 /nfs/dbraw/zinc/90/03/31/1306900331.db2.gz OHNNMGOZPDHEMV-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969027380 1306906296 /nfs/dbraw/zinc/90/62/96/1306906296.db2.gz CSRYEDIPGRSDKI-RCCFBDPRSA-N 2 2 344.503 2.851 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969027380 1306906300 /nfs/dbraw/zinc/90/63/00/1306906300.db2.gz CSRYEDIPGRSDKI-RCCFBDPRSA-N 2 2 344.503 2.851 20 30 EFEDLP C=CCCCCC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209424466 1314161765 /nfs/dbraw/zinc/16/17/65/1314161765.db2.gz QWBLNSOLQMIBOB-GOSISDBHSA-N 2 2 345.535 2.754 20 30 EFEDLP C=CCCCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209424466 1314161767 /nfs/dbraw/zinc/16/17/67/1314161767.db2.gz QWBLNSOLQMIBOB-GOSISDBHSA-N 2 2 345.535 2.754 20 30 EFEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553232 1307425445 /nfs/dbraw/zinc/42/54/45/1307425445.db2.gz KFEQXVKRGZKZCS-HNNXBMFYSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209584867 1314194810 /nfs/dbraw/zinc/19/48/10/1314194810.db2.gz CBJJUFQJCZDXHF-FVQBIDKESA-N 2 2 329.916 2.542 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209584867 1314194811 /nfs/dbraw/zinc/19/48/11/1314194811.db2.gz CBJJUFQJCZDXHF-FVQBIDKESA-N 2 2 329.916 2.542 20 30 EFEDLP C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000900000833 1307585678 /nfs/dbraw/zinc/58/56/78/1307585678.db2.gz WRISAJFAWSFOFG-KRWDZBQOSA-N 2 2 342.443 2.925 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097694773 1314199438 /nfs/dbraw/zinc/19/94/38/1314199438.db2.gz DBJCWLRVBXYNKO-HZMVEIRTSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694773 1314199443 /nfs/dbraw/zinc/19/94/43/1314199443.db2.gz DBJCWLRVBXYNKO-HZMVEIRTSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694773 1314199445 /nfs/dbraw/zinc/19/94/45/1314199445.db2.gz DBJCWLRVBXYNKO-HZMVEIRTSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694773 1314199449 /nfs/dbraw/zinc/19/94/49/1314199449.db2.gz DBJCWLRVBXYNKO-HZMVEIRTSA-N 2 2 339.911 2.582 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001045797733 1307646583 /nfs/dbraw/zinc/64/65/83/1307646583.db2.gz XYEJUTWURGMVOX-AABGKKOBSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001045797733 1307646588 /nfs/dbraw/zinc/64/65/88/1307646588.db2.gz XYEJUTWURGMVOX-AABGKKOBSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001045797733 1307646593 /nfs/dbraw/zinc/64/65/93/1307646593.db2.gz XYEJUTWURGMVOX-AABGKKOBSA-N 2 2 345.531 2.586 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001045797733 1307646597 /nfs/dbraw/zinc/64/65/97/1307646597.db2.gz XYEJUTWURGMVOX-AABGKKOBSA-N 2 2 345.531 2.586 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001045947278 1307970484 /nfs/dbraw/zinc/97/04/84/1307970484.db2.gz KONCDPKZLOJWAG-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001045947278 1307970488 /nfs/dbraw/zinc/97/04/88/1307970488.db2.gz KONCDPKZLOJWAG-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001045947277 1307970629 /nfs/dbraw/zinc/97/06/29/1307970629.db2.gz KONCDPKZLOJWAG-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001045947277 1307970634 /nfs/dbraw/zinc/97/06/34/1307970634.db2.gz KONCDPKZLOJWAG-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968816 1308029836 /nfs/dbraw/zinc/02/98/36/1308029836.db2.gz HPXPRWPYSUXJJL-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968816 1308029842 /nfs/dbraw/zinc/02/98/42/1308029842.db2.gz HPXPRWPYSUXJJL-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981796 1308071744 /nfs/dbraw/zinc/07/17/44/1308071744.db2.gz GIMQAKFKGGSTRW-HXUWFJFHSA-N 2 2 344.503 2.931 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981796 1308071751 /nfs/dbraw/zinc/07/17/51/1308071751.db2.gz GIMQAKFKGGSTRW-HXUWFJFHSA-N 2 2 344.503 2.931 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982120 1308074408 /nfs/dbraw/zinc/07/44/08/1308074408.db2.gz OFLUXYVCKLQZCY-LJQANCHMSA-N 2 2 330.476 2.541 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982120 1308074415 /nfs/dbraw/zinc/07/44/15/1308074415.db2.gz OFLUXYVCKLQZCY-LJQANCHMSA-N 2 2 330.476 2.541 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001209971617 1314264857 /nfs/dbraw/zinc/26/48/57/1314264857.db2.gz CGUVMRKRFPFJHU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001209971617 1314264859 /nfs/dbraw/zinc/26/48/59/1314264859.db2.gz CGUVMRKRFPFJHU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046940460 1309722755 /nfs/dbraw/zinc/72/27/55/1309722755.db2.gz URUXNZUQVQPIMM-OAHLLOKOSA-N 2 2 348.397 2.516 20 30 EFEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046940460 1309722762 /nfs/dbraw/zinc/72/27/62/1309722762.db2.gz URUXNZUQVQPIMM-OAHLLOKOSA-N 2 2 348.397 2.516 20 30 EFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047257040 1310432117 /nfs/dbraw/zinc/43/21/17/1310432117.db2.gz FOPAOIGQCZFPRB-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047257040 1310432121 /nfs/dbraw/zinc/43/21/21/1310432121.db2.gz FOPAOIGQCZFPRB-AEFFLSMTSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047257832 1310434947 /nfs/dbraw/zinc/43/49/47/1310434947.db2.gz PZTNIFUHLCBMTC-PKOBYXMFSA-N 2 2 344.503 2.971 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210899214 1314406335 /nfs/dbraw/zinc/40/63/35/1314406335.db2.gz IKEUOSWYTSIKIM-KRWDZBQOSA-N 2 2 334.508 2.904 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221704942 1311016254 /nfs/dbraw/zinc/01/62/54/1311016254.db2.gz LQFBAVVWWGFYLE-QZTJIDSGSA-N 2 2 346.519 2.856 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221704942 1311016255 /nfs/dbraw/zinc/01/62/55/1311016255.db2.gz LQFBAVVWWGFYLE-QZTJIDSGSA-N 2 2 346.519 2.856 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989036 1311065715 /nfs/dbraw/zinc/06/57/15/1311065715.db2.gz SEDBGEXYBSGODU-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989036 1311065718 /nfs/dbraw/zinc/06/57/18/1311065718.db2.gz SEDBGEXYBSGODU-IEBWSBKVSA-N 2 2 344.503 2.632 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572956 1311276803 /nfs/dbraw/zinc/27/68/03/1311276803.db2.gz XZJXFOFPKYIZRO-AEFFLSMTSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572956 1311276804 /nfs/dbraw/zinc/27/68/04/1311276804.db2.gz XZJXFOFPKYIZRO-AEFFLSMTSA-N 2 2 332.492 2.845 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001223577800 1311277755 /nfs/dbraw/zinc/27/77/55/1311277755.db2.gz GSMYAPOFXGCELQ-MRXNPFEDSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001223646047 1311286586 /nfs/dbraw/zinc/28/65/86/1311286586.db2.gz NREHEWHEPFVRPY-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C#CCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC001276972579 1311391325 /nfs/dbraw/zinc/39/13/25/1311391325.db2.gz ASAIJGHRIUQCHC-LVFSCSRESA-N 2 2 336.439 2.691 20 30 EFEDLP Cc1cccc(N2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)[nH+]1 ZINC001276981225 1311408000 /nfs/dbraw/zinc/40/80/00/1311408000.db2.gz UFSASEIGDRTRNH-UHFFFAOYSA-N 2 2 335.455 2.703 20 30 EFEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949256 1311422737 /nfs/dbraw/zinc/42/27/37/1311422737.db2.gz IILKMBVREDOUSE-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949256 1311422740 /nfs/dbraw/zinc/42/27/40/1311422740.db2.gz IILKMBVREDOUSE-GOSISDBHSA-N 2 2 332.492 2.942 20 30 EFEDLP C=C(C)C[NH+]1CCC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001224846747 1311441386 /nfs/dbraw/zinc/44/13/86/1311441386.db2.gz PYIMKDBCJJGCDX-UHFFFAOYSA-N 2 2 340.471 2.590 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225590580 1311548604 /nfs/dbraw/zinc/54/86/04/1311548604.db2.gz AFZODULSWZMSCW-SFHVURJKSA-N 2 2 349.906 2.870 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001159924245 1311610182 /nfs/dbraw/zinc/61/01/82/1311610182.db2.gz JBLDBXSNRHMCAV-HNNXBMFYSA-N 2 2 342.443 2.690 20 30 EFEDLP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423001 1311706779 /nfs/dbraw/zinc/70/67/79/1311706779.db2.gz IOQLQKVXNWIJNU-LJQANCHMSA-N 2 2 342.487 2.632 20 30 EFEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423001 1311706782 /nfs/dbraw/zinc/70/67/82/1311706782.db2.gz IOQLQKVXNWIJNU-LJQANCHMSA-N 2 2 342.487 2.632 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523610 1311728121 /nfs/dbraw/zinc/72/81/21/1311728121.db2.gz MEXSUBQWBLDMCU-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523610 1311728122 /nfs/dbraw/zinc/72/81/22/1311728122.db2.gz MEXSUBQWBLDMCU-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160544550 1311732937 /nfs/dbraw/zinc/73/29/37/1311732937.db2.gz JVWBCDATSCJPRI-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160544550 1311732940 /nfs/dbraw/zinc/73/29/40/1311732940.db2.gz JVWBCDATSCJPRI-SFHVURJKSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160544549 1311733028 /nfs/dbraw/zinc/73/30/28/1311733028.db2.gz JVWBCDATSCJPRI-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160544549 1311733033 /nfs/dbraw/zinc/73/30/33/1311733033.db2.gz JVWBCDATSCJPRI-GOSISDBHSA-N 2 2 342.487 2.550 20 30 EFEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3[NH3+])CC2)cc1 ZINC000902435878 1311742204 /nfs/dbraw/zinc/74/22/04/1311742204.db2.gz WOQLWBBXYBQIDJ-NHCUHLMSSA-N 2 2 332.451 2.741 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165278 1311771012 /nfs/dbraw/zinc/77/10/12/1311771012.db2.gz LMGNUMFPRPMDPZ-BRWVUGGUSA-N 2 2 344.503 2.806 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165278 1311771015 /nfs/dbraw/zinc/77/10/15/1311771015.db2.gz LMGNUMFPRPMDPZ-BRWVUGGUSA-N 2 2 344.503 2.806 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1CNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001160958077 1311821103 /nfs/dbraw/zinc/82/11/03/1311821103.db2.gz ZONRXFWSODKAFT-INIZCTEOSA-N 3 2 330.476 2.617 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001160958077 1311821106 /nfs/dbraw/zinc/82/11/06/1311821106.db2.gz ZONRXFWSODKAFT-INIZCTEOSA-N 3 2 330.476 2.617 20 30 EFEDLP Cc1[nH+]c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)ccc1CC#N ZINC001161124322 1311864357 /nfs/dbraw/zinc/86/43/57/1311864357.db2.gz ILBXGKCJUKEVQU-UHFFFAOYSA-N 2 2 328.460 2.948 20 30 EFEDLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC(C#Cc3ccccc3)CC2)cc1 ZINC001161152212 1311870631 /nfs/dbraw/zinc/87/06/31/1311870631.db2.gz BRGIJEIFLNYPRP-NRFANRHFSA-N 2 2 347.462 2.549 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001227946660 1311877538 /nfs/dbraw/zinc/87/75/38/1311877538.db2.gz GHBKBUOCNXXVMB-OAHLLOKOSA-N 2 2 331.460 2.568 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001227946783 1311877934 /nfs/dbraw/zinc/87/79/34/1311877934.db2.gz HZPZSIQAJSHADR-UHFFFAOYSA-N 2 2 345.487 2.960 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439107 1311890035 /nfs/dbraw/zinc/89/00/35/1311890035.db2.gz JDCJTJOCCGVYLS-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439107 1311890039 /nfs/dbraw/zinc/89/00/39/1311890039.db2.gz JDCJTJOCCGVYLS-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439107 1311890043 /nfs/dbraw/zinc/89/00/43/1311890043.db2.gz JDCJTJOCCGVYLS-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439107 1311890045 /nfs/dbraw/zinc/89/00/45/1311890045.db2.gz JDCJTJOCCGVYLS-MRXNPFEDSA-N 2 2 330.476 2.693 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529917 1311961691 /nfs/dbraw/zinc/96/16/91/1311961691.db2.gz ZAJKMVHGFXWWHU-BZUAXINKSA-N 2 2 330.476 2.813 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001163262060 1312276205 /nfs/dbraw/zinc/27/62/05/1312276205.db2.gz VEUIXEWUXKPJNO-IPKUPGOKSA-N 2 2 348.516 2.681 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274953 1312279842 /nfs/dbraw/zinc/27/98/42/1312279842.db2.gz LMWSZNWMUULOJR-GOSISDBHSA-N 2 2 341.540 2.554 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274953 1312279846 /nfs/dbraw/zinc/27/98/46/1312279846.db2.gz LMWSZNWMUULOJR-GOSISDBHSA-N 2 2 341.540 2.554 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230605956 1312280686 /nfs/dbraw/zinc/28/06/86/1312280686.db2.gz RNHQIEYEZWJMJY-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230605956 1312280690 /nfs/dbraw/zinc/28/06/90/1312280690.db2.gz RNHQIEYEZWJMJY-SFHVURJKSA-N 2 2 330.476 2.621 20 30 EFEDLP CCCCCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230611367 1312283124 /nfs/dbraw/zinc/28/31/24/1312283124.db2.gz RMLCJRTZZLOMKX-LJQANCHMSA-N 2 2 348.535 2.725 20 30 EFEDLP CCCCCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230611367 1312283128 /nfs/dbraw/zinc/28/31/28/1312283128.db2.gz RMLCJRTZZLOMKX-LJQANCHMSA-N 2 2 348.535 2.725 20 30 EFEDLP CCCCCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230611367 1312283131 /nfs/dbraw/zinc/28/31/31/1312283131.db2.gz RMLCJRTZZLOMKX-LJQANCHMSA-N 2 2 348.535 2.725 20 30 EFEDLP CCCCCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230611367 1312283135 /nfs/dbraw/zinc/28/31/35/1312283135.db2.gz RMLCJRTZZLOMKX-LJQANCHMSA-N 2 2 348.535 2.725 20 30 EFEDLP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)C(C)C ZINC001230611493 1312283513 /nfs/dbraw/zinc/28/35/13/1312283513.db2.gz SKGDKAVLIISKGC-RBUKOAKNSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)C(C)C ZINC001230611493 1312283517 /nfs/dbraw/zinc/28/35/17/1312283517.db2.gz SKGDKAVLIISKGC-RBUKOAKNSA-N 2 2 348.535 2.579 20 30 EFEDLP COCC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC001231817282 1312570022 /nfs/dbraw/zinc/57/00/22/1312570022.db2.gz DKAPMOOSICSGCJ-UHFFFAOYSA-N 2 2 344.503 2.579 20 30 EFEDLP COCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC[NH+](C)CC1 ZINC001231817282 1312570025 /nfs/dbraw/zinc/57/00/25/1312570025.db2.gz DKAPMOOSICSGCJ-UHFFFAOYSA-N 2 2 344.503 2.579 20 30 EFEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636611 1312656052 /nfs/dbraw/zinc/65/60/52/1312656052.db2.gz CEYXBIZTHXNVDD-QGZVFWFLSA-N 2 2 332.492 2.923 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001211228654 1314459756 /nfs/dbraw/zinc/45/97/56/1314459756.db2.gz GLJCHOCERBZDJO-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001211228654 1314459760 /nfs/dbraw/zinc/45/97/60/1314459760.db2.gz GLJCHOCERBZDJO-QGZVFWFLSA-N 2 2 347.528 2.653 20 30 EFEDLP CCCCCCCCCC[C@@H](O)C[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001245982049 1314559244 /nfs/dbraw/zinc/55/92/44/1314559244.db2.gz ILXUKIGLWKPPHR-XVLXNVKGSA-N 2 2 326.525 2.987 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001245992932 1314561431 /nfs/dbraw/zinc/56/14/31/1314561431.db2.gz FPZOBQGLZOCJBW-GBESFXJTSA-N 2 2 328.541 2.828 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246009372 1314564642 /nfs/dbraw/zinc/56/46/42/1314564642.db2.gz TWSDYWHOXDFBQG-IRXDYDNUSA-N 2 2 330.513 2.748 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246036286 1314570876 /nfs/dbraw/zinc/57/08/76/1314570876.db2.gz SIXPMNAKDHZWOK-RTBURBONSA-N 2 2 328.541 2.924 20 30 EFEDLP CCCCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246036286 1314570879 /nfs/dbraw/zinc/57/08/79/1314570879.db2.gz SIXPMNAKDHZWOK-RTBURBONSA-N 2 2 328.541 2.924 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046199 1314630247 /nfs/dbraw/zinc/63/02/47/1314630247.db2.gz HXAQDDUDPKOFFA-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046199 1314630252 /nfs/dbraw/zinc/63/02/52/1314630252.db2.gz HXAQDDUDPKOFFA-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050502 1314637315 /nfs/dbraw/zinc/63/73/15/1314637315.db2.gz JWLWKYUFFRCHFZ-ROUUACIJSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053050502 1314637319 /nfs/dbraw/zinc/63/73/19/1314637319.db2.gz JWLWKYUFFRCHFZ-ROUUACIJSA-N 2 2 344.503 2.787 20 30 EFEDLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246528266 1314642581 /nfs/dbraw/zinc/64/25/81/1314642581.db2.gz GQVKKAMMHGIQHY-HKUYNNGSSA-N 2 2 326.488 2.847 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057371 1314649409 /nfs/dbraw/zinc/64/94/09/1314649409.db2.gz IPZXRSYDMOTQFF-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057371 1314649412 /nfs/dbraw/zinc/64/94/12/1314649412.db2.gz IPZXRSYDMOTQFF-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086895 1314691365 /nfs/dbraw/zinc/69/13/65/1314691365.db2.gz GICFAKSQLURYCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053086895 1314691368 /nfs/dbraw/zinc/69/13/68/1314691368.db2.gz GICFAKSQLURYCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086895 1314691370 /nfs/dbraw/zinc/69/13/70/1314691370.db2.gz GICFAKSQLURYCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053086895 1314691373 /nfs/dbraw/zinc/69/13/73/1314691373.db2.gz GICFAKSQLURYCJ-SJLPKXTDSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090246 1314698448 /nfs/dbraw/zinc/69/84/48/1314698448.db2.gz GCUDIPCBSPTHIU-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001053090246 1314698453 /nfs/dbraw/zinc/69/84/53/1314698453.db2.gz GCUDIPCBSPTHIU-MSOLQXFVSA-N 2 2 344.503 2.632 20 30 EFEDLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]1 ZINC001246865283 1314699637 /nfs/dbraw/zinc/69/96/37/1314699637.db2.gz SVOCTBOBRRYKMF-LPHOPBHVSA-N 2 2 344.478 2.986 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092588 1314702207 /nfs/dbraw/zinc/70/22/07/1314702207.db2.gz IALPTCJPIAQBMB-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092588 1314702212 /nfs/dbraw/zinc/70/22/12/1314702212.db2.gz IALPTCJPIAQBMB-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095208 1314706602 /nfs/dbraw/zinc/70/66/02/1314706602.db2.gz YUMBGFZZSLFSCB-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053095208 1314706607 /nfs/dbraw/zinc/70/66/07/1314706607.db2.gz YUMBGFZZSLFSCB-RBUKOAKNSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098372 1314712767 /nfs/dbraw/zinc/71/27/67/1314712767.db2.gz MWPLYZIXIMBQOX-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098372 1314712770 /nfs/dbraw/zinc/71/27/70/1314712770.db2.gz MWPLYZIXIMBQOX-WMZOPIPTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632197 1314717827 /nfs/dbraw/zinc/71/78/27/1314717827.db2.gz FUMIOCHDIFWCFT-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104584 1314726348 /nfs/dbraw/zinc/72/63/48/1314726348.db2.gz OYWWLJSTQZZHHE-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104584 1314726352 /nfs/dbraw/zinc/72/63/52/1314726352.db2.gz OYWWLJSTQZZHHE-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105401 1314727960 /nfs/dbraw/zinc/72/79/60/1314727960.db2.gz OGBQAQMRFVBILW-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105401 1314727965 /nfs/dbraw/zinc/72/79/65/1314727965.db2.gz OGBQAQMRFVBILW-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106098 1314729212 /nfs/dbraw/zinc/72/92/12/1314729212.db2.gz XEAHSAPOYAXZOQ-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053106098 1314729215 /nfs/dbraw/zinc/72/92/15/1314729215.db2.gz XEAHSAPOYAXZOQ-SJORKVTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112621 1314735038 /nfs/dbraw/zinc/73/50/38/1314735038.db2.gz RRLNCFQBLSGRMF-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112621 1314735041 /nfs/dbraw/zinc/73/50/41/1314735041.db2.gz RRLNCFQBLSGRMF-MOPGFXCFSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112506 1314735089 /nfs/dbraw/zinc/73/50/89/1314735089.db2.gz NLWPHMFQIGCNMR-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112506 1314735091 /nfs/dbraw/zinc/73/50/91/1314735091.db2.gz NLWPHMFQIGCNMR-ZWKOTPCHSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008269 1314768874 /nfs/dbraw/zinc/76/88/74/1314768874.db2.gz IHIRWRRCLKGUEJ-ZIFCJYIRSA-N 2 2 344.503 2.628 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200425 1314797933 /nfs/dbraw/zinc/79/79/33/1314797933.db2.gz VSYSQHLUUJXUDQ-IAGOWNOFSA-N 2 2 334.508 2.760 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630880 1314984504 /nfs/dbraw/zinc/98/45/04/1314984504.db2.gz SQFMZTHMVLKGPK-SJLPKXTDSA-N 2 2 332.492 2.536 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830295 1315013381 /nfs/dbraw/zinc/01/33/81/1315013381.db2.gz OEEYNCPATGALEP-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830295 1315013385 /nfs/dbraw/zinc/01/33/85/1315013385.db2.gz OEEYNCPATGALEP-NVXWUHKLSA-N 2 2 347.528 2.509 20 30 EFEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249124677 1315021439 /nfs/dbraw/zinc/02/14/39/1315021439.db2.gz GJBASSWNXRXOMT-KRWDZBQOSA-N 2 2 333.395 2.563 20 30 EFEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249124677 1315021443 /nfs/dbraw/zinc/02/14/43/1315021443.db2.gz GJBASSWNXRXOMT-KRWDZBQOSA-N 2 2 333.395 2.563 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993564 1315029140 /nfs/dbraw/zinc/02/91/40/1315029140.db2.gz KNPRKBMJWHIJFZ-QZTJIDSGSA-N 2 2 332.492 2.846 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001054044531 1315213153 /nfs/dbraw/zinc/21/31/53/1315213153.db2.gz XNOFYHMLYMWPMC-GOSISDBHSA-N 2 2 346.434 2.906 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001054044531 1315213156 /nfs/dbraw/zinc/21/31/56/1315213156.db2.gz XNOFYHMLYMWPMC-GOSISDBHSA-N 2 2 346.434 2.906 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001054046267 1315216899 /nfs/dbraw/zinc/21/68/99/1315216899.db2.gz INUOLSFCHUHBSI-HXUWFJFHSA-N 2 2 346.434 2.677 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001054046267 1315216904 /nfs/dbraw/zinc/21/69/04/1315216904.db2.gz INUOLSFCHUHBSI-HXUWFJFHSA-N 2 2 346.434 2.677 20 30 EFEDLP C[NH+]1CCN(c2cccc3[nH+]c(CCc4ccc(C#N)cc4)[nH]c32)CC1 ZINC001250582421 1315227677 /nfs/dbraw/zinc/22/76/77/1315227677.db2.gz XIXKPKVORDHYMK-UHFFFAOYSA-N 2 2 345.450 2.972 20 30 EFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001278588167 1315236427 /nfs/dbraw/zinc/23/64/27/1315236427.db2.gz LUYKDPGFMHZFAK-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CCn4ccnc4)C3)C2)c1 ZINC001278588167 1315236431 /nfs/dbraw/zinc/23/64/31/1315236431.db2.gz LUYKDPGFMHZFAK-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)c1 ZINC001278588167 1315236437 /nfs/dbraw/zinc/23/64/37/1315236437.db2.gz LUYKDPGFMHZFAK-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)c1 ZINC001278588167 1315236441 /nfs/dbraw/zinc/23/64/41/1315236441.db2.gz LUYKDPGFMHZFAK-OAQYLSRUSA-N 2 2 349.482 2.743 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001054061431 1315246735 /nfs/dbraw/zinc/24/67/35/1315246735.db2.gz ZUBAOYGXKYHXJA-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001054061431 1315246739 /nfs/dbraw/zinc/24/67/39/1315246739.db2.gz ZUBAOYGXKYHXJA-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001054061431 1315246744 /nfs/dbraw/zinc/24/67/44/1315246744.db2.gz ZUBAOYGXKYHXJA-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001054061431 1315246749 /nfs/dbraw/zinc/24/67/49/1315246749.db2.gz ZUBAOYGXKYHXJA-VQTJNVASSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001054061429 1315246974 /nfs/dbraw/zinc/24/69/74/1315246974.db2.gz ZUBAOYGXKYHXJA-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001054061429 1315246978 /nfs/dbraw/zinc/24/69/78/1315246978.db2.gz ZUBAOYGXKYHXJA-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001054061429 1315246983 /nfs/dbraw/zinc/24/69/83/1315246983.db2.gz ZUBAOYGXKYHXJA-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001054061429 1315246988 /nfs/dbraw/zinc/24/69/88/1315246988.db2.gz ZUBAOYGXKYHXJA-PMACEKPBSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001054133294 1315343541 /nfs/dbraw/zinc/34/35/41/1315343541.db2.gz ZZHOWYJOETVQES-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001054133294 1315343545 /nfs/dbraw/zinc/34/35/45/1315343545.db2.gz ZZHOWYJOETVQES-HXUWFJFHSA-N 2 2 338.455 2.757 20 30 EFEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154692 1315381077 /nfs/dbraw/zinc/38/10/77/1315381077.db2.gz UVWFOBORVLZUGO-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154692 1315381081 /nfs/dbraw/zinc/38/10/81/1315381081.db2.gz UVWFOBORVLZUGO-FQEVSTJZSA-N 2 2 336.439 2.514 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195811 1315439456 /nfs/dbraw/zinc/43/94/56/1315439456.db2.gz PHDGTNOPGDKEGT-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001054195811 1315439458 /nfs/dbraw/zinc/43/94/58/1315439458.db2.gz PHDGTNOPGDKEGT-JXFKEZNVSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C[C@](C)(O)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001252548147 1315466192 /nfs/dbraw/zinc/46/61/92/1315466192.db2.gz AUNZLZZFPFENKK-FQEVSTJZSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C[C@](C)(O)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001252548147 1315466196 /nfs/dbraw/zinc/46/61/96/1315466196.db2.gz AUNZLZZFPFENKK-FQEVSTJZSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C[C@](C)(O)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252548147 1315466199 /nfs/dbraw/zinc/46/61/99/1315466199.db2.gz AUNZLZZFPFENKK-FQEVSTJZSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C[C@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252548147 1315466203 /nfs/dbraw/zinc/46/62/03/1315466203.db2.gz AUNZLZZFPFENKK-FQEVSTJZSA-N 2 2 341.455 2.602 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001039156458 1315552483 /nfs/dbraw/zinc/55/24/83/1315552483.db2.gz OGEYCBAPYWZPGO-IBGZPJMESA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001039156458 1315552489 /nfs/dbraw/zinc/55/24/89/1315552489.db2.gz OGEYCBAPYWZPGO-IBGZPJMESA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161366 1315558849 /nfs/dbraw/zinc/55/88/49/1315558849.db2.gz IQHDOXUHVGXRBR-HKUYNNGSSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161366 1315558852 /nfs/dbraw/zinc/55/88/52/1315558852.db2.gz IQHDOXUHVGXRBR-HKUYNNGSSA-N 2 2 344.503 2.971 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039187991 1315596388 /nfs/dbraw/zinc/59/63/88/1315596388.db2.gz IUEXNHQRYJSDGF-GOSISDBHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039187991 1315596390 /nfs/dbraw/zinc/59/63/90/1315596390.db2.gz IUEXNHQRYJSDGF-GOSISDBHSA-N 2 2 344.503 2.787 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208317 1315621256 /nfs/dbraw/zinc/62/12/56/1315621256.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208317 1315621260 /nfs/dbraw/zinc/62/12/60/1315621260.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208317 1315621264 /nfs/dbraw/zinc/62/12/64/1315621264.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208317 1315621268 /nfs/dbraw/zinc/62/12/68/1315621268.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215971 1315634202 /nfs/dbraw/zinc/63/42/02/1315634202.db2.gz ZHNNTGGEWANHSL-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039215971 1315634206 /nfs/dbraw/zinc/63/42/06/1315634206.db2.gz ZHNNTGGEWANHSL-HNAYVOBHSA-N 2 2 336.439 2.513 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224955 1315645535 /nfs/dbraw/zinc/64/55/35/1315645535.db2.gz JMOJGJYZEPQNOR-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224955 1315645539 /nfs/dbraw/zinc/64/55/39/1315645539.db2.gz JMOJGJYZEPQNOR-MSOLQXFVSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228818 1315651582 /nfs/dbraw/zinc/65/15/82/1315651582.db2.gz KPXMPIBRHUNKFS-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001039228818 1315651585 /nfs/dbraw/zinc/65/15/85/1315651585.db2.gz KPXMPIBRHUNKFS-ROUUACIJSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252003 1315683875 /nfs/dbraw/zinc/68/38/75/1315683875.db2.gz YTNSPIGNEPPRKJ-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252003 1315683877 /nfs/dbraw/zinc/68/38/77/1315683877.db2.gz YTNSPIGNEPPRKJ-IEBWSBKVSA-N 2 2 344.503 2.930 20 30 EFEDLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254649901 1315735400 /nfs/dbraw/zinc/73/54/00/1315735400.db2.gz SBTQNSJUHFOFNZ-VQIMIIECSA-N 2 2 341.455 2.719 20 30 EFEDLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254649898 1315735412 /nfs/dbraw/zinc/73/54/12/1315735412.db2.gz SBTQNSJUHFOFNZ-APWZRJJASA-N 2 2 341.455 2.719 20 30 EFEDLP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC001254677297 1315739864 /nfs/dbraw/zinc/73/98/64/1315739864.db2.gz SAWMLCDBLLHYRW-DNVCBOLYSA-N 2 2 341.455 2.719 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375432 1315747649 /nfs/dbraw/zinc/74/76/49/1315747649.db2.gz DRRVQHFKASKMFS-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375432 1315747651 /nfs/dbraw/zinc/74/76/51/1315747651.db2.gz DRRVQHFKASKMFS-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382560 1315752738 /nfs/dbraw/zinc/75/27/38/1315752738.db2.gz JMIAROBIGACQCL-SJORKVTESA-N 2 2 345.512 2.512 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382560 1315752743 /nfs/dbraw/zinc/75/27/43/1315752743.db2.gz JMIAROBIGACQCL-SJORKVTESA-N 2 2 345.512 2.512 20 30 EFEDLP N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868564 1315753340 /nfs/dbraw/zinc/75/33/40/1315753340.db2.gz PWSPFHPGTQRDBJ-UYAOXDASSA-N 2 2 325.456 2.886 20 30 EFEDLP N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254868564 1315753344 /nfs/dbraw/zinc/75/33/44/1315753344.db2.gz PWSPFHPGTQRDBJ-UYAOXDASSA-N 2 2 325.456 2.886 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039416205 1315776935 /nfs/dbraw/zinc/77/69/35/1315776935.db2.gz NRQQVPMUIFMVBW-CVEARBPZSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039416205 1315776938 /nfs/dbraw/zinc/77/69/38/1315776938.db2.gz NRQQVPMUIFMVBW-CVEARBPZSA-N 2 2 339.911 2.679 20 30 EFEDLP C[NH+]1CCC([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256202130 1315916766 /nfs/dbraw/zinc/91/67/66/1315916766.db2.gz YSEYBZWOISIRPK-WGSAOQKQSA-N 3 2 326.488 2.724 20 30 EFEDLP C[NH+]1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256202130 1315916768 /nfs/dbraw/zinc/91/67/68/1315916768.db2.gz YSEYBZWOISIRPK-WGSAOQKQSA-N 3 2 326.488 2.724 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256539846 1315954253 /nfs/dbraw/zinc/95/42/53/1315954253.db2.gz YKGCOASBIGEQKM-MVJTYMMSSA-N 2 2 333.476 2.549 20 30 EFEDLP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)NO ZINC001256539846 1315954256 /nfs/dbraw/zinc/95/42/56/1315954256.db2.gz YKGCOASBIGEQKM-MVJTYMMSSA-N 2 2 333.476 2.549 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052491222 1315955384 /nfs/dbraw/zinc/95/53/84/1315955384.db2.gz ZLVJEKOHUWTFCD-OAHLLOKOSA-N 2 2 338.883 2.650 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052491222 1315955387 /nfs/dbraw/zinc/95/53/87/1315955387.db2.gz ZLVJEKOHUWTFCD-OAHLLOKOSA-N 2 2 338.883 2.650 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257220998 1316048803 /nfs/dbraw/zinc/04/88/03/1316048803.db2.gz XMMVMGMYXYDGMN-UYAOXDASSA-N 2 2 336.520 2.933 20 30 EFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257220998 1316048804 /nfs/dbraw/zinc/04/88/04/1316048804.db2.gz XMMVMGMYXYDGMN-UYAOXDASSA-N 2 2 336.520 2.933 20 30 EFEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3[NH3+])C[C@H](C1)C2 ZINC001257889971 1316101271 /nfs/dbraw/zinc/10/12/71/1316101271.db2.gz PGXLYKRDQKZGLT-ALILYOIUSA-N 2 2 335.492 2.658 20 30 EFEDLP CC(C)C[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001258015010 1316110683 /nfs/dbraw/zinc/11/06/83/1316110683.db2.gz WVVVGZBLKHPUIH-UHFFFAOYSA-N 2 2 326.488 2.801 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040259110 1316170235 /nfs/dbraw/zinc/17/02/35/1316170235.db2.gz SQSBJLJFJZDBGM-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040259110 1316170236 /nfs/dbraw/zinc/17/02/36/1316170236.db2.gz SQSBJLJFJZDBGM-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001040311838 1316196637 /nfs/dbraw/zinc/19/66/37/1316196637.db2.gz WSUXJMCQBDRFDP-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001040311838 1316196639 /nfs/dbraw/zinc/19/66/39/1316196639.db2.gz WSUXJMCQBDRFDP-FQEVSTJZSA-N 2 2 344.503 2.633 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387349 1316235873 /nfs/dbraw/zinc/23/58/73/1316235873.db2.gz JAGOQVCVRNGEGI-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001040387349 1316235877 /nfs/dbraw/zinc/23/58/77/1316235877.db2.gz JAGOQVCVRNGEGI-OXJNMPFZSA-N 2 2 342.487 2.720 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC001040745875 1316365483 /nfs/dbraw/zinc/36/54/83/1316365483.db2.gz SDGPQCDKVLPKSW-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001040772864 1316371316 /nfs/dbraw/zinc/37/13/16/1316371316.db2.gz JPRQFXYKWZRYIP-UHFFFAOYSA-N 2 2 338.455 2.839 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041398403 1316538119 /nfs/dbraw/zinc/53/81/19/1316538119.db2.gz ILQFNYQTLZFIFJ-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001041398403 1316538122 /nfs/dbraw/zinc/53/81/22/1316538122.db2.gz ILQFNYQTLZFIFJ-FQEVSTJZSA-N 2 2 344.503 2.817 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001041402422 1316540624 /nfs/dbraw/zinc/54/06/24/1316540624.db2.gz IVFRXOAIQBEEJM-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001041402422 1316540626 /nfs/dbraw/zinc/54/06/26/1316540626.db2.gz IVFRXOAIQBEEJM-FQEVSTJZSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665527 1316640716 /nfs/dbraw/zinc/64/07/16/1316640716.db2.gz UDGPFNJRYNLUHZ-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665527 1316640717 /nfs/dbraw/zinc/64/07/17/1316640717.db2.gz UDGPFNJRYNLUHZ-OXQOHEQNSA-N 2 2 342.487 2.720 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717452 1316662261 /nfs/dbraw/zinc/66/22/61/1316662261.db2.gz RCDOXQLDOUEMPI-DOTOQJQBSA-N 2 2 336.867 2.511 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717452 1316662263 /nfs/dbraw/zinc/66/22/63/1316662263.db2.gz RCDOXQLDOUEMPI-DOTOQJQBSA-N 2 2 336.867 2.511 20 30 EFEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041767046 1316687873 /nfs/dbraw/zinc/68/78/73/1316687873.db2.gz DMOHLDJURXXWOT-HXUWFJFHSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001041767046 1316687875 /nfs/dbraw/zinc/68/78/75/1316687875.db2.gz DMOHLDJURXXWOT-HXUWFJFHSA-N 2 2 336.439 2.596 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042062171 1316851856 /nfs/dbraw/zinc/85/18/56/1316851856.db2.gz KCVAMQPIMYZSIR-AEFFLSMTSA-N 2 2 338.455 2.755 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042062171 1316851857 /nfs/dbraw/zinc/85/18/57/1316851857.db2.gz KCVAMQPIMYZSIR-AEFFLSMTSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042063340 1316853365 /nfs/dbraw/zinc/85/33/65/1316853365.db2.gz VCWCFSQCQZAGSG-AEFFLSMTSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042063340 1316853367 /nfs/dbraw/zinc/85/33/67/1316853367.db2.gz VCWCFSQCQZAGSG-AEFFLSMTSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116035 1316889435 /nfs/dbraw/zinc/88/94/35/1316889435.db2.gz FZCSHFZVULQEEZ-CXAGYDPISA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116035 1316889438 /nfs/dbraw/zinc/88/94/38/1316889438.db2.gz FZCSHFZVULQEEZ-CXAGYDPISA-N 2 2 344.846 2.852 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133124 1316900891 /nfs/dbraw/zinc/90/08/91/1316900891.db2.gz HUUUESUVNZPYJM-RHSMWYFYSA-N 2 2 344.846 2.623 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133124 1316900894 /nfs/dbraw/zinc/90/08/94/1316900894.db2.gz HUUUESUVNZPYJM-RHSMWYFYSA-N 2 2 344.846 2.623 20 30 EFEDLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001266154645 1317105862 /nfs/dbraw/zinc/10/58/62/1317105862.db2.gz DBIVKCCKFPLQNL-CQSZACIVSA-N 2 2 347.422 2.733 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042315025 1317138199 /nfs/dbraw/zinc/13/81/99/1317138199.db2.gz YRAVAEOOMNNAEN-HZPDHXFCSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042315025 1317138202 /nfs/dbraw/zinc/13/82/02/1317138202.db2.gz YRAVAEOOMNNAEN-HZPDHXFCSA-N 2 2 330.476 2.576 20 30 EFEDLP N#CCc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279375904 1317249613 /nfs/dbraw/zinc/24/96/13/1317249613.db2.gz JYHGXHMPVCXDFG-OAQYLSRUSA-N 2 2 349.482 2.964 20 30 EFEDLP N#CCc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001279375904 1317249620 /nfs/dbraw/zinc/24/96/20/1317249620.db2.gz JYHGXHMPVCXDFG-OAQYLSRUSA-N 2 2 349.482 2.964 20 30 EFEDLP N#CCc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279375904 1317249628 /nfs/dbraw/zinc/24/96/28/1317249628.db2.gz JYHGXHMPVCXDFG-OAQYLSRUSA-N 2 2 349.482 2.964 20 30 EFEDLP N#CCc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279375904 1317249635 /nfs/dbraw/zinc/24/96/35/1317249635.db2.gz JYHGXHMPVCXDFG-OAQYLSRUSA-N 2 2 349.482 2.964 20 30 EFEDLP C#CCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001318814592 1328708950 /nfs/dbraw/zinc/70/89/50/1328708950.db2.gz BTYBUPUWGZZRPJ-UHFFFAOYSA-N 2 2 332.363 2.840 20 30 EFEDLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001283632150 1319908302 /nfs/dbraw/zinc/90/83/02/1319908302.db2.gz NKBYEPXDMOBARN-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001341697072 1332277680 /nfs/dbraw/zinc/27/76/80/1332277680.db2.gz NNXNGQQCYWKKCN-YJBOKZPZSA-N 2 2 331.460 2.702 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001343927007 1332391770 /nfs/dbraw/zinc/39/17/70/1332391770.db2.gz FTCVJYADDQHILN-INIZCTEOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001343927007 1332391773 /nfs/dbraw/zinc/39/17/73/1332391773.db2.gz FTCVJYADDQHILN-INIZCTEOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001343927007 1332391775 /nfs/dbraw/zinc/39/17/75/1332391775.db2.gz FTCVJYADDQHILN-INIZCTEOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001343927007 1332391778 /nfs/dbraw/zinc/39/17/78/1332391778.db2.gz FTCVJYADDQHILN-INIZCTEOSA-N 2 2 346.523 2.541 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346187592 1332609045 /nfs/dbraw/zinc/60/90/45/1332609045.db2.gz ANNSVOCKWQDFTC-QGZVFWFLSA-N 2 2 346.523 2.588 20 30 EFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001346187592 1332609048 /nfs/dbraw/zinc/60/90/48/1332609048.db2.gz ANNSVOCKWQDFTC-QGZVFWFLSA-N 2 2 346.523 2.588 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500707 1334152534 /nfs/dbraw/zinc/15/25/34/1334152534.db2.gz XHOMMWCYVZFIPA-FHERZECASA-N 2 2 326.444 2.787 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500708 1334152725 /nfs/dbraw/zinc/15/27/25/1334152725.db2.gz XHOMMWCYVZFIPA-QQFBHYJXSA-N 2 2 326.444 2.787 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001367049068 1338311736 /nfs/dbraw/zinc/31/17/36/1338311736.db2.gz HSKKNBPTVWRMLG-KRWDZBQOSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001367049068 1338311774 /nfs/dbraw/zinc/31/17/74/1338311774.db2.gz HSKKNBPTVWRMLG-KRWDZBQOSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001367049068 1338311779 /nfs/dbraw/zinc/31/17/79/1338311779.db2.gz HSKKNBPTVWRMLG-KRWDZBQOSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001367049068 1338311785 /nfs/dbraw/zinc/31/17/85/1338311785.db2.gz HSKKNBPTVWRMLG-KRWDZBQOSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001368517101 1339452228 /nfs/dbraw/zinc/45/22/28/1339452228.db2.gz CWMLXETVXCIMHB-GOSISDBHSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001368517101 1339452230 /nfs/dbraw/zinc/45/22/30/1339452230.db2.gz CWMLXETVXCIMHB-GOSISDBHSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001368517101 1339452232 /nfs/dbraw/zinc/45/22/32/1339452232.db2.gz CWMLXETVXCIMHB-GOSISDBHSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001368517101 1339452233 /nfs/dbraw/zinc/45/22/33/1339452233.db2.gz CWMLXETVXCIMHB-GOSISDBHSA-N 2 2 349.906 2.842 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001378491677 1345121315 /nfs/dbraw/zinc/12/13/15/1345121315.db2.gz ACGONJDSGAAHLJ-UHFFFAOYSA-N 2 2 338.883 2.634 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001379648059 1347225288 /nfs/dbraw/zinc/22/52/88/1347225288.db2.gz GJPKJKWDAWXVBB-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001379648059 1347225289 /nfs/dbraw/zinc/22/52/89/1347225289.db2.gz GJPKJKWDAWXVBB-CVEARBPZSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001391194412 1354921799 /nfs/dbraw/zinc/92/17/99/1354921799.db2.gz APFWJWJOCVBMSN-UHFFFAOYSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@H+](CCNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001391194412 1354921801 /nfs/dbraw/zinc/92/18/01/1354921801.db2.gz APFWJWJOCVBMSN-UHFFFAOYSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001392198718 1355854634 /nfs/dbraw/zinc/85/46/34/1355854634.db2.gz UDNJHEGXBWZORG-CZUORRHYSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCC1 ZINC001393541267 1356932068 /nfs/dbraw/zinc/93/20/68/1356932068.db2.gz MMGIAADDOYMDPI-UHFFFAOYSA-N 2 2 332.835 2.637 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001397148843 1359706859 /nfs/dbraw/zinc/70/68/59/1359706859.db2.gz MAELIGSGOFSQCN-ZWKOTPCHSA-N 2 2 349.906 2.665 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001397148843 1359706862 /nfs/dbraw/zinc/70/68/62/1359706862.db2.gz MAELIGSGOFSQCN-ZWKOTPCHSA-N 2 2 349.906 2.665 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001397148843 1359706865 /nfs/dbraw/zinc/70/68/65/1359706865.db2.gz MAELIGSGOFSQCN-ZWKOTPCHSA-N 2 2 349.906 2.665 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001397148843 1359706866 /nfs/dbraw/zinc/70/68/66/1359706866.db2.gz MAELIGSGOFSQCN-ZWKOTPCHSA-N 2 2 349.906 2.665 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001401335921 1362681983 /nfs/dbraw/zinc/68/19/83/1362681983.db2.gz MIUOPSREZCMCFS-KRWDZBQOSA-N 2 2 346.862 2.969 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001402236112 1363557529 /nfs/dbraw/zinc/55/75/29/1363557529.db2.gz GFVSQMXNUSGZIK-MRXNPFEDSA-N 2 2 329.916 2.782 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001402819280 1364066516 /nfs/dbraw/zinc/06/65/16/1364066516.db2.gz XNZZQGROMJYEHU-SJLPKXTDSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001402819280 1364066521 /nfs/dbraw/zinc/06/65/21/1364066521.db2.gz XNZZQGROMJYEHU-SJLPKXTDSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001402819280 1364066527 /nfs/dbraw/zinc/06/65/27/1364066527.db2.gz XNZZQGROMJYEHU-SJLPKXTDSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001402819280 1364066533 /nfs/dbraw/zinc/06/65/33/1364066533.db2.gz XNZZQGROMJYEHU-SJLPKXTDSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819283 1364066564 /nfs/dbraw/zinc/06/65/64/1364066564.db2.gz XNZZQGROMJYEHU-WMZOPIPTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819283 1364066570 /nfs/dbraw/zinc/06/65/70/1364066570.db2.gz XNZZQGROMJYEHU-WMZOPIPTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819283 1364066575 /nfs/dbraw/zinc/06/65/75/1364066575.db2.gz XNZZQGROMJYEHU-WMZOPIPTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001402819283 1364066580 /nfs/dbraw/zinc/06/65/80/1364066580.db2.gz XNZZQGROMJYEHU-WMZOPIPTSA-N 2 2 349.906 2.840 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001404506810 1365609389 /nfs/dbraw/zinc/60/93/89/1365609389.db2.gz NXSQKHOGLKLZBB-HNNXBMFYSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001404506810 1365609392 /nfs/dbraw/zinc/60/93/92/1365609392.db2.gz NXSQKHOGLKLZBB-HNNXBMFYSA-N 2 2 346.862 2.837 20 30 EFEDLP CC[N@@H+]1CCC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001414167326 1370061935 /nfs/dbraw/zinc/06/19/35/1370061935.db2.gz PLWPDLUIQSTQBT-FQEVSTJZSA-N 2 2 326.488 2.597 20 30 EFEDLP CC[N@H+]1CCC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001414167326 1370061942 /nfs/dbraw/zinc/06/19/42/1370061942.db2.gz PLWPDLUIQSTQBT-FQEVSTJZSA-N 2 2 326.488 2.597 20 30 EFEDLP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001438005422 1388318334 /nfs/dbraw/zinc/31/83/34/1388318334.db2.gz STHQHPPVRZMGAZ-UHFFFAOYSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001438005422 1388318341 /nfs/dbraw/zinc/31/83/41/1388318341.db2.gz STHQHPPVRZMGAZ-UHFFFAOYSA-N 2 2 338.883 2.586 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001424088203 1382747121 /nfs/dbraw/zinc/74/71/21/1382747121.db2.gz KZZFJQWPHDJVQU-SHTZXODSSA-N 2 2 346.862 2.965 20 30 EFEDLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC001439137310 1389008488 /nfs/dbraw/zinc/00/84/88/1389008488.db2.gz LOZGYTUZDGCYPA-OAHLLOKOSA-N 2 2 336.439 2.787 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001440942940 1390030368 /nfs/dbraw/zinc/03/03/68/1390030368.db2.gz JKJMBSSDNMCJJP-HNNXBMFYSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001440942940 1390030376 /nfs/dbraw/zinc/03/03/76/1390030376.db2.gz JKJMBSSDNMCJJP-HNNXBMFYSA-N 2 2 337.895 2.593 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001449056210 1392240574 /nfs/dbraw/zinc/24/05/74/1392240574.db2.gz SHNXUMNRLDRVGL-GDBMZVCRSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001449056210 1392240576 /nfs/dbraw/zinc/24/05/76/1392240576.db2.gz SHNXUMNRLDRVGL-GDBMZVCRSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001449056232 1392240986 /nfs/dbraw/zinc/24/09/86/1392240986.db2.gz SHNXUMNRLDRVGL-ZBFHGGJFSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001449056232 1392240989 /nfs/dbraw/zinc/24/09/89/1392240989.db2.gz SHNXUMNRLDRVGL-ZBFHGGJFSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507015737 1406593131 /nfs/dbraw/zinc/59/31/31/1406593131.db2.gz QEAHMQCZOCQMMP-INIZCTEOSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001493848856 1398920489 /nfs/dbraw/zinc/92/04/89/1398920489.db2.gz GNBXLBFPMMXHPO-HNNXBMFYSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494139506 1399160921 /nfs/dbraw/zinc/16/09/21/1399160921.db2.gz ANOXBCJNWUHDDO-ZDUSSCGKSA-N 2 2 332.835 2.709 20 30 EFEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494139506 1399160923 /nfs/dbraw/zinc/16/09/23/1399160923.db2.gz ANOXBCJNWUHDDO-ZDUSSCGKSA-N 2 2 332.835 2.709 20 30 EFEDLP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496097198 1400468294 /nfs/dbraw/zinc/46/82/94/1400468294.db2.gz ZTZIXXSILPOPCA-CQSZACIVSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496097197 1400468476 /nfs/dbraw/zinc/46/84/76/1400468476.db2.gz ZTZIXXSILPOPCA-AWEZNQCLSA-N 2 2 347.422 2.685 20 30 EFEDLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001503290848 1404479474 /nfs/dbraw/zinc/47/94/74/1404479474.db2.gz SNGTUONXDHMCDO-AWEZNQCLSA-N 2 2 347.422 2.733 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001506641816 1406084078 /nfs/dbraw/zinc/08/40/78/1406084078.db2.gz SQSMRHUOHZGITA-OAHLLOKOSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000969156485 712945347 /nfs/dbraw/zinc/94/53/47/712945347.db2.gz UFLPHUAZDVPYAR-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156485 712945350 /nfs/dbraw/zinc/94/53/50/712945350.db2.gz UFLPHUAZDVPYAR-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156485 712945352 /nfs/dbraw/zinc/94/53/52/712945352.db2.gz UFLPHUAZDVPYAR-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156485 712945355 /nfs/dbraw/zinc/94/53/55/712945355.db2.gz UFLPHUAZDVPYAR-IAGOWNOFSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833963 713275754 /nfs/dbraw/zinc/27/57/54/713275754.db2.gz UAQAZOISTHSHSQ-WMLDXEAASA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833963 713275755 /nfs/dbraw/zinc/27/57/55/713275755.db2.gz UAQAZOISTHSHSQ-WMLDXEAASA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833961 713275788 /nfs/dbraw/zinc/27/57/88/713275788.db2.gz UAQAZOISTHSHSQ-PBHICJAKSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833961 713275789 /nfs/dbraw/zinc/27/57/89/713275789.db2.gz UAQAZOISTHSHSQ-PBHICJAKSA-N 2 2 339.911 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970212833 713567167 /nfs/dbraw/zinc/56/71/67/713567167.db2.gz KKHWICIOYLKDHT-HNNXBMFYSA-N 2 2 349.906 2.593 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970927448 714145076 /nfs/dbraw/zinc/14/50/76/714145076.db2.gz FDQISSPOYGZEQC-CQSZACIVSA-N 2 2 335.879 2.551 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602241 714162199 /nfs/dbraw/zinc/16/21/99/714162199.db2.gz GRWSPWOBZSVQCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602241 714162200 /nfs/dbraw/zinc/16/22/00/714162200.db2.gz GRWSPWOBZSVQCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602241 714162202 /nfs/dbraw/zinc/16/22/02/714162202.db2.gz GRWSPWOBZSVQCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602241 714162204 /nfs/dbraw/zinc/16/22/04/714162204.db2.gz GRWSPWOBZSVQCJ-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611144 714174947 /nfs/dbraw/zinc/17/49/47/714174947.db2.gz NKFWSTZTIRTNOL-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611144 714174948 /nfs/dbraw/zinc/17/49/48/714174948.db2.gz NKFWSTZTIRTNOL-SJLPKXTDSA-N 2 2 343.471 2.522 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615240 714180359 /nfs/dbraw/zinc/18/03/59/714180359.db2.gz VXMALTDFZWBRKV-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615240 714180360 /nfs/dbraw/zinc/18/03/60/714180360.db2.gz VXMALTDFZWBRKV-BEFAXECRSA-N 2 2 336.439 2.513 20 30 EFEDLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)c(C)[nH+]1 ZINC001022461849 715170400 /nfs/dbraw/zinc/17/04/00/715170400.db2.gz YCIROBDCLGRMDK-KDURUIRLSA-N 2 2 348.450 2.929 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974943218 715363725 /nfs/dbraw/zinc/36/37/25/715363725.db2.gz FGCYCXKNFKLBLM-CVEARBPZSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974943218 715363729 /nfs/dbraw/zinc/36/37/29/715363729.db2.gz FGCYCXKNFKLBLM-CVEARBPZSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943218 715363736 /nfs/dbraw/zinc/36/37/36/715363736.db2.gz FGCYCXKNFKLBLM-CVEARBPZSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943218 715363741 /nfs/dbraw/zinc/36/37/41/715363741.db2.gz FGCYCXKNFKLBLM-CVEARBPZSA-N 2 2 341.927 2.688 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035734 715458792 /nfs/dbraw/zinc/45/87/92/715458792.db2.gz BVLXLLLLJAYVMO-ZBFHGGJFSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035734 715458795 /nfs/dbraw/zinc/45/87/95/715458795.db2.gz BVLXLLLLJAYVMO-ZBFHGGJFSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681573 716809756 /nfs/dbraw/zinc/80/97/56/716809756.db2.gz MZUBNGFUOIFPMK-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681573 716809759 /nfs/dbraw/zinc/80/97/59/716809759.db2.gz MZUBNGFUOIFPMK-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001027615172 717020857 /nfs/dbraw/zinc/02/08/57/717020857.db2.gz PCDIAKIWZYSTSP-SFHVURJKSA-N 2 2 340.471 2.684 20 30 EFEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001027615172 717020861 /nfs/dbraw/zinc/02/08/61/717020861.db2.gz PCDIAKIWZYSTSP-SFHVURJKSA-N 2 2 340.471 2.684 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972703756 717129683 /nfs/dbraw/zinc/12/96/83/717129683.db2.gz KUWGNLMSYPKXGL-PKOBYXMFSA-N 2 2 349.906 2.749 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972703756 717129684 /nfs/dbraw/zinc/12/96/84/717129684.db2.gz KUWGNLMSYPKXGL-PKOBYXMFSA-N 2 2 349.906 2.749 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980470013 717307369 /nfs/dbraw/zinc/30/73/69/717307369.db2.gz BMYRAMJBRPQABC-QGZVFWFLSA-N 2 2 335.879 2.647 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980470013 717307372 /nfs/dbraw/zinc/30/73/72/717307372.db2.gz BMYRAMJBRPQABC-QGZVFWFLSA-N 2 2 335.879 2.647 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027944135 717378951 /nfs/dbraw/zinc/37/89/51/717378951.db2.gz VDLZJYBRNHDXGX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027944135 717378954 /nfs/dbraw/zinc/37/89/54/717378954.db2.gz VDLZJYBRNHDXGX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027944135 717378957 /nfs/dbraw/zinc/37/89/57/717378957.db2.gz VDLZJYBRNHDXGX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027944135 717378961 /nfs/dbraw/zinc/37/89/61/717378961.db2.gz VDLZJYBRNHDXGX-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972500 717626264 /nfs/dbraw/zinc/62/62/64/717626264.db2.gz AZCGTGOXPJAGDZ-USXIJHARSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC000979972500 717626266 /nfs/dbraw/zinc/62/62/66/717626266.db2.gz AZCGTGOXPJAGDZ-USXIJHARSA-N 2 2 338.455 2.969 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468723 717774253 /nfs/dbraw/zinc/77/42/53/717774253.db2.gz MNQJFERYJDHVCX-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468723 717774258 /nfs/dbraw/zinc/77/42/58/717774258.db2.gz MNQJFERYJDHVCX-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468723 717774263 /nfs/dbraw/zinc/77/42/63/717774263.db2.gz MNQJFERYJDHVCX-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468723 717774270 /nfs/dbraw/zinc/77/42/70/717774270.db2.gz MNQJFERYJDHVCX-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024486833 717810355 /nfs/dbraw/zinc/81/03/55/717810355.db2.gz JHANQFMBZXMEJF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024486833 717810350 /nfs/dbraw/zinc/81/03/50/717810350.db2.gz JHANQFMBZXMEJF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024486833 717810360 /nfs/dbraw/zinc/81/03/60/717810360.db2.gz JHANQFMBZXMEJF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024486833 717810365 /nfs/dbraw/zinc/81/03/65/717810365.db2.gz JHANQFMBZXMEJF-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024487142 717810850 /nfs/dbraw/zinc/81/08/50/717810850.db2.gz NFDLZGUMUHNDRQ-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024487142 717810852 /nfs/dbraw/zinc/81/08/52/717810852.db2.gz NFDLZGUMUHNDRQ-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024487142 717810854 /nfs/dbraw/zinc/81/08/54/717810854.db2.gz NFDLZGUMUHNDRQ-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024487142 717810856 /nfs/dbraw/zinc/81/08/56/717810856.db2.gz NFDLZGUMUHNDRQ-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645438 718057638 /nfs/dbraw/zinc/05/76/38/718057638.db2.gz ADLMOQVBPYZYCT-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024645438 718057641 /nfs/dbraw/zinc/05/76/41/718057641.db2.gz ADLMOQVBPYZYCT-JKSUJKDBSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245107 718469577 /nfs/dbraw/zinc/46/95/77/718469577.db2.gz ZXZCVDVGGWXUKU-ROUUACIJSA-N 2 2 344.503 2.958 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025245107 718469578 /nfs/dbraw/zinc/46/95/78/718469578.db2.gz ZXZCVDVGGWXUKU-ROUUACIJSA-N 2 2 344.503 2.958 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253549 718479379 /nfs/dbraw/zinc/47/93/79/718479379.db2.gz WABYMQVSFIUSMD-ROUUACIJSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001025253549 718479380 /nfs/dbraw/zinc/47/93/80/718479380.db2.gz WABYMQVSFIUSMD-ROUUACIJSA-N 2 2 344.503 2.774 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045460 718490040 /nfs/dbraw/zinc/49/00/40/718490040.db2.gz IORBIPDGPCHCSY-KRWDZBQOSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045460 718490042 /nfs/dbraw/zinc/49/00/42/718490042.db2.gz IORBIPDGPCHCSY-KRWDZBQOSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273465 718509205 /nfs/dbraw/zinc/50/92/05/718509205.db2.gz FPYOCLFISWCOCW-HZPDHXFCSA-N 2 2 336.867 2.550 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273465 718509209 /nfs/dbraw/zinc/50/92/09/718509209.db2.gz FPYOCLFISWCOCW-HZPDHXFCSA-N 2 2 336.867 2.550 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287611 718524005 /nfs/dbraw/zinc/52/40/05/718524005.db2.gz FGIQJCPHEXKCEX-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287611 718524008 /nfs/dbraw/zinc/52/40/08/718524008.db2.gz FGIQJCPHEXKCEX-JKSUJKDBSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981384112 718671776 /nfs/dbraw/zinc/67/17/76/718671776.db2.gz HATHXTKIOUVPPX-SJORKVTESA-N 2 2 340.471 2.778 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457718 718903591 /nfs/dbraw/zinc/90/35/91/718903591.db2.gz DSLWRMGFNYUFPM-HUUCEWRRSA-N 2 2 326.444 2.969 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457718 718903594 /nfs/dbraw/zinc/90/35/94/718903594.db2.gz DSLWRMGFNYUFPM-HUUCEWRRSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]21 ZINC001026267869 720080538 /nfs/dbraw/zinc/08/05/38/720080538.db2.gz RLEPLSVARNTIEX-RCCFBDPRSA-N 2 2 338.455 2.659 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001026312288 720211325 /nfs/dbraw/zinc/21/13/25/720211325.db2.gz UIZFOFNYISIIJI-SOUVJXGZSA-N 2 2 344.846 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028334323 720379088 /nfs/dbraw/zinc/37/90/88/720379088.db2.gz WIINMTGTLYETHQ-KRWDZBQOSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028334323 720379090 /nfs/dbraw/zinc/37/90/90/720379090.db2.gz WIINMTGTLYETHQ-KRWDZBQOSA-N 2 2 335.879 2.695 20 30 EFEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598771 720932053 /nfs/dbraw/zinc/93/20/53/720932053.db2.gz KWKTYQKUSDMHPZ-QRQLOZEOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598771 720932057 /nfs/dbraw/zinc/93/20/57/720932057.db2.gz KWKTYQKUSDMHPZ-QRQLOZEOSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028538301 720988986 /nfs/dbraw/zinc/98/89/86/720988986.db2.gz BFWZUKBLFXPTTD-INIZCTEOSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028538301 720988988 /nfs/dbraw/zinc/98/89/88/720988988.db2.gz BFWZUKBLFXPTTD-INIZCTEOSA-N 2 2 326.444 2.661 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]Cc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC000894228318 721333773 /nfs/dbraw/zinc/33/37/73/721333773.db2.gz AOOVZNBFIFYLKF-UHFFFAOYSA-N 2 2 327.428 2.695 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761222 721399045 /nfs/dbraw/zinc/39/90/45/721399045.db2.gz TWRTZUPNLUVJBW-CVEARBPZSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761222 721399046 /nfs/dbraw/zinc/39/90/46/721399046.db2.gz TWRTZUPNLUVJBW-CVEARBPZSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761222 721399053 /nfs/dbraw/zinc/39/90/53/721399053.db2.gz TWRTZUPNLUVJBW-CVEARBPZSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761222 721399055 /nfs/dbraw/zinc/39/90/55/721399055.db2.gz TWRTZUPNLUVJBW-CVEARBPZSA-N 2 2 341.927 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974767626 721414194 /nfs/dbraw/zinc/41/41/94/721414194.db2.gz PMHBXQKZDCDJCU-INIZCTEOSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974767626 721414196 /nfs/dbraw/zinc/41/41/96/721414196.db2.gz PMHBXQKZDCDJCU-INIZCTEOSA-N 2 2 346.862 2.835 20 30 EFEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974876469 721494200 /nfs/dbraw/zinc/49/42/00/721494200.db2.gz BOUIWBQXWIMBIB-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974876469 721494201 /nfs/dbraw/zinc/49/42/01/721494201.db2.gz BOUIWBQXWIMBIB-GOSISDBHSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718172 721890140 /nfs/dbraw/zinc/89/01/40/721890140.db2.gz CNTZNEKAZZWURL-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718172 721890143 /nfs/dbraw/zinc/89/01/43/721890143.db2.gz CNTZNEKAZZWURL-QGZVFWFLSA-N 2 2 338.455 2.890 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000444800139 728873332 /nfs/dbraw/zinc/87/33/32/728873332.db2.gz UDWYFRMPPYNTSV-INIZCTEOSA-N 2 2 348.410 2.721 20 30 EFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000444800139 728873336 /nfs/dbraw/zinc/87/33/36/728873336.db2.gz UDWYFRMPPYNTSV-INIZCTEOSA-N 2 2 348.410 2.721 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992164341 725577524 /nfs/dbraw/zinc/57/75/24/725577524.db2.gz CBROUFRXKRRYBO-SIXWZSSISA-N 2 2 328.460 2.519 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992164341 725577527 /nfs/dbraw/zinc/57/75/27/725577527.db2.gz CBROUFRXKRRYBO-SIXWZSSISA-N 2 2 328.460 2.519 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168028 725580723 /nfs/dbraw/zinc/58/07/23/725580723.db2.gz MIRGNHXOAOBMTD-CRAIPNDOSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168028 725580725 /nfs/dbraw/zinc/58/07/25/725580725.db2.gz MIRGNHXOAOBMTD-CRAIPNDOSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168028 725580727 /nfs/dbraw/zinc/58/07/27/725580727.db2.gz MIRGNHXOAOBMTD-CRAIPNDOSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168028 725580729 /nfs/dbraw/zinc/58/07/29/725580729.db2.gz MIRGNHXOAOBMTD-CRAIPNDOSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992239042 725638591 /nfs/dbraw/zinc/63/85/91/725638591.db2.gz HSNZUZLBLRRQLQ-QQTQMKHKSA-N 2 2 342.487 2.603 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992239042 725638593 /nfs/dbraw/zinc/63/85/93/725638593.db2.gz HSNZUZLBLRRQLQ-QQTQMKHKSA-N 2 2 342.487 2.603 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC000992742685 726158008 /nfs/dbraw/zinc/15/80/08/726158008.db2.gz FJJFOGIHWBRCSU-IXDOHACOSA-N 2 2 338.455 2.741 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991121304 727123345 /nfs/dbraw/zinc/12/33/45/727123345.db2.gz SRJMIDIDUBDHSF-LFEHRJTNSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991121304 727123346 /nfs/dbraw/zinc/12/33/46/727123346.db2.gz SRJMIDIDUBDHSF-LFEHRJTNSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991121304 727123348 /nfs/dbraw/zinc/12/33/48/727123348.db2.gz SRJMIDIDUBDHSF-LFEHRJTNSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991121304 727123351 /nfs/dbraw/zinc/12/33/51/727123351.db2.gz SRJMIDIDUBDHSF-LFEHRJTNSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121306 727123422 /nfs/dbraw/zinc/12/34/22/727123422.db2.gz SRJMIDIDUBDHSF-RRIFGTCXSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991121306 727123425 /nfs/dbraw/zinc/12/34/25/727123425.db2.gz SRJMIDIDUBDHSF-RRIFGTCXSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121306 727123426 /nfs/dbraw/zinc/12/34/26/727123426.db2.gz SRJMIDIDUBDHSF-RRIFGTCXSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991121306 727123429 /nfs/dbraw/zinc/12/34/29/727123429.db2.gz SRJMIDIDUBDHSF-RRIFGTCXSA-N 2 2 328.460 2.593 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993355351 727158216 /nfs/dbraw/zinc/15/82/16/727158216.db2.gz VGVABMFIDIUCQX-NVXWUHKLSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993355351 727158218 /nfs/dbraw/zinc/15/82/18/727158218.db2.gz VGVABMFIDIUCQX-NVXWUHKLSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993488861 727292136 /nfs/dbraw/zinc/29/21/36/727292136.db2.gz HLKCHHKLWWPQAJ-IAGOWNOFSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993488861 727292138 /nfs/dbraw/zinc/29/21/38/727292138.db2.gz HLKCHHKLWWPQAJ-IAGOWNOFSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991448514 727826810 /nfs/dbraw/zinc/82/68/10/727826810.db2.gz RRPWFNJISAZFPT-SQGPQFPESA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991448514 727826812 /nfs/dbraw/zinc/82/68/12/727826812.db2.gz RRPWFNJISAZFPT-SQGPQFPESA-N 2 2 342.487 2.525 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@H]12 ZINC000991475621 727888357 /nfs/dbraw/zinc/88/83/57/727888357.db2.gz SVIKSHLMUFXSAB-ZAAXVRCTSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@H]12 ZINC000991475621 727888360 /nfs/dbraw/zinc/88/83/60/727888360.db2.gz SVIKSHLMUFXSAB-ZAAXVRCTSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@H]12 ZINC000991475621 727888362 /nfs/dbraw/zinc/88/83/62/727888362.db2.gz SVIKSHLMUFXSAB-ZAAXVRCTSA-N 2 2 342.487 2.512 20 30 EFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@H]12 ZINC000991475621 727888364 /nfs/dbraw/zinc/88/83/64/727888364.db2.gz SVIKSHLMUFXSAB-ZAAXVRCTSA-N 2 2 342.487 2.512 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315040 728129467 /nfs/dbraw/zinc/12/94/67/728129467.db2.gz MEMBFCQNGKMVJW-RHSMWYFYSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315040 728129468 /nfs/dbraw/zinc/12/94/68/728129468.db2.gz MEMBFCQNGKMVJW-RHSMWYFYSA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183677 728347729 /nfs/dbraw/zinc/34/77/29/728347729.db2.gz JYROHJLXVBBKJH-GDBMZVCRSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183677 728347733 /nfs/dbraw/zinc/34/77/33/728347733.db2.gz JYROHJLXVBBKJH-GDBMZVCRSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183680 728347886 /nfs/dbraw/zinc/34/78/86/728347886.db2.gz JYROHJLXVBBKJH-ZBFHGGJFSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183680 728347889 /nfs/dbraw/zinc/34/78/89/728347889.db2.gz JYROHJLXVBBKJH-ZBFHGGJFSA-N 2 2 326.444 2.969 20 30 EFEDLP CCNC(NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)=[NH+]CC ZINC000183887753 728382659 /nfs/dbraw/zinc/38/26/59/728382659.db2.gz QJHRNGREDFHKPJ-CQSZACIVSA-N 2 2 330.398 2.883 20 30 EFEDLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001576385195 1089170531 /nfs/dbraw/zinc/17/05/31/1089170531.db2.gz YJDDPFMQUXTNSE-HUUCEWRRSA-N 2 2 346.500 2.543 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267013281 1092337354 /nfs/dbraw/zinc/33/73/54/1092337354.db2.gz YGCKLXNGURJQAZ-IRXDYDNUSA-N 2 2 332.492 2.606 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075454069 1093042071 /nfs/dbraw/zinc/04/20/71/1093042071.db2.gz KNAGUARSMVHLPE-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001075454069 1093042076 /nfs/dbraw/zinc/04/20/76/1093042076.db2.gz KNAGUARSMVHLPE-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075454069 1093042084 /nfs/dbraw/zinc/04/20/84/1093042084.db2.gz KNAGUARSMVHLPE-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001075454069 1093042091 /nfs/dbraw/zinc/04/20/91/1093042091.db2.gz KNAGUARSMVHLPE-KRWDZBQOSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203158267 1093211172 /nfs/dbraw/zinc/21/11/72/1093211172.db2.gz CYDAOGNTVDNHNY-SJORKVTESA-N 2 2 338.455 2.931 20 30 EFEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087430953 1095142041 /nfs/dbraw/zinc/14/20/41/1095142041.db2.gz SDGLIAGPTUZJCU-AQNXPRMDSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087430953 1095142048 /nfs/dbraw/zinc/14/20/48/1095142048.db2.gz SDGLIAGPTUZJCU-AQNXPRMDSA-N 2 2 341.499 2.631 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087430953 1095142051 /nfs/dbraw/zinc/14/20/51/1095142051.db2.gz SDGLIAGPTUZJCU-AQNXPRMDSA-N 2 2 341.499 2.631 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087316935 1095301881 /nfs/dbraw/zinc/30/18/81/1095301881.db2.gz ZOEIWHIAHUGFQQ-LZQZEXGQSA-N 2 2 344.503 2.832 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087316935 1095301899 /nfs/dbraw/zinc/30/18/99/1095301899.db2.gz ZOEIWHIAHUGFQQ-LZQZEXGQSA-N 2 2 344.503 2.832 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777776 1095837614 /nfs/dbraw/zinc/83/76/14/1095837614.db2.gz TWDQOOQOMXMDFT-BRWVUGGUSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777776 1095837629 /nfs/dbraw/zinc/83/76/29/1095837629.db2.gz TWDQOOQOMXMDFT-BRWVUGGUSA-N 2 2 332.492 2.629 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942229 1097545338 /nfs/dbraw/zinc/54/53/38/1097545338.db2.gz FLFRIUUFGJFLIV-MRXNPFEDSA-N 2 2 332.492 2.584 20 30 EFEDLP C=CC[C@H](C)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001268968269 1097760970 /nfs/dbraw/zinc/76/09/70/1097760970.db2.gz MIZMRORWTUYDFD-UHOSZYNNSA-N 2 2 330.476 2.647 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494464 1098876024 /nfs/dbraw/zinc/87/60/24/1098876024.db2.gz QLVSQLPCZRWBIR-ZACQAIPSSA-N 2 2 339.911 2.727 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494464 1098876032 /nfs/dbraw/zinc/87/60/32/1098876032.db2.gz QLVSQLPCZRWBIR-ZACQAIPSSA-N 2 2 339.911 2.727 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954686 1099156537 /nfs/dbraw/zinc/15/65/37/1099156537.db2.gz OIRMVVYJUSJPLI-HLLBOEOZSA-N 2 2 332.492 2.690 20 30 EFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112528185 1099932688 /nfs/dbraw/zinc/93/26/88/1099932688.db2.gz QGCOVIMUGYQBRP-FTRWYGJKSA-N 2 2 342.487 2.624 20 30 EFEDLP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001204755883 1100171157 /nfs/dbraw/zinc/17/11/57/1100171157.db2.gz JUMZMNYORVVFBM-KRWDZBQOSA-N 2 2 326.465 2.698 20 30 EFEDLP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001204755883 1100171165 /nfs/dbraw/zinc/17/11/65/1100171165.db2.gz JUMZMNYORVVFBM-KRWDZBQOSA-N 2 2 326.465 2.698 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569714 1100538605 /nfs/dbraw/zinc/53/86/05/1100538605.db2.gz JLCFSMSZCJGTQB-XHSDSOJGSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569714 1100538611 /nfs/dbraw/zinc/53/86/11/1100538611.db2.gz JLCFSMSZCJGTQB-XHSDSOJGSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569714 1100538615 /nfs/dbraw/zinc/53/86/15/1100538615.db2.gz JLCFSMSZCJGTQB-XHSDSOJGSA-N 2 2 327.900 2.581 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569714 1100538617 /nfs/dbraw/zinc/53/86/17/1100538617.db2.gz JLCFSMSZCJGTQB-XHSDSOJGSA-N 2 2 327.900 2.581 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1CC ZINC001087607019 1100587890 /nfs/dbraw/zinc/58/78/90/1100587890.db2.gz GJGYWSOGCFQDMM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1CC ZINC001087607019 1100587893 /nfs/dbraw/zinc/58/78/93/1100587893.db2.gz GJGYWSOGCFQDMM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1CC ZINC001087607019 1100587896 /nfs/dbraw/zinc/58/78/96/1100587896.db2.gz GJGYWSOGCFQDMM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1CC ZINC001087607019 1100587900 /nfs/dbraw/zinc/58/79/00/1100587900.db2.gz GJGYWSOGCFQDMM-ZCNNSNEGSA-N 2 2 345.531 2.633 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001088013716 1101192614 /nfs/dbraw/zinc/19/26/14/1101192614.db2.gz PUAUWQPIWSGKGS-HIFRSBDPSA-N 2 2 344.846 2.709 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001088013716 1101192617 /nfs/dbraw/zinc/19/26/17/1101192617.db2.gz PUAUWQPIWSGKGS-HIFRSBDPSA-N 2 2 344.846 2.709 20 30 EFEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327531 1101778651 /nfs/dbraw/zinc/77/86/51/1101778651.db2.gz ROKIIBDRXRQVTE-GUDVDZBRSA-N 2 2 344.503 2.568 20 30 EFEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001112482486 1102342718 /nfs/dbraw/zinc/34/27/18/1102342718.db2.gz YMLNALPAMBHHGE-RXVVDRJESA-N 2 2 339.483 2.862 20 30 EFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486432 1102544620 /nfs/dbraw/zinc/54/46/20/1102544620.db2.gz RQDMHESTMYOOKP-PXNSSMCTSA-N 2 2 344.503 2.537 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338771 1103017363 /nfs/dbraw/zinc/01/73/63/1103017363.db2.gz NMLSEEMBQCZDNC-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338771 1103017381 /nfs/dbraw/zinc/01/73/81/1103017381.db2.gz NMLSEEMBQCZDNC-DLBZAZTESA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001088338772 1103017498 /nfs/dbraw/zinc/01/74/98/1103017498.db2.gz NMLSEEMBQCZDNC-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001088338772 1103017514 /nfs/dbraw/zinc/01/75/14/1103017514.db2.gz NMLSEEMBQCZDNC-IAGOWNOFSA-N 2 2 344.503 2.760 20 30 EFEDLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C#N ZINC001662940749 1103902673 /nfs/dbraw/zinc/90/26/73/1103902673.db2.gz YEPPWPRUWKFSDS-CQSZACIVSA-N 2 2 347.422 2.733 20 30 EFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112536972 1104202177 /nfs/dbraw/zinc/20/21/77/1104202177.db2.gz JJUQFLRUAXNNRU-LNLFQRSKSA-N 2 2 330.476 2.629 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988844051 1105325269 /nfs/dbraw/zinc/32/52/69/1105325269.db2.gz MECVICBPWHSUQI-DOMZBBRYSA-N 2 2 332.835 2.588 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001088631223 1105593836 /nfs/dbraw/zinc/59/38/36/1105593836.db2.gz ZMDUVJWCHHCWTR-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001088631223 1105593840 /nfs/dbraw/zinc/59/38/40/1105593840.db2.gz ZMDUVJWCHHCWTR-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088631223 1105593844 /nfs/dbraw/zinc/59/38/44/1105593844.db2.gz ZMDUVJWCHHCWTR-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088631223 1105593847 /nfs/dbraw/zinc/59/38/47/1105593847.db2.gz ZMDUVJWCHHCWTR-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001088631003 1105593962 /nfs/dbraw/zinc/59/39/62/1105593962.db2.gz MOAFHSZRLAEMBG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001088631003 1105593968 /nfs/dbraw/zinc/59/39/68/1105593968.db2.gz MOAFHSZRLAEMBG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088631003 1105593973 /nfs/dbraw/zinc/59/39/73/1105593973.db2.gz MOAFHSZRLAEMBG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088631003 1105593976 /nfs/dbraw/zinc/59/39/76/1105593976.db2.gz MOAFHSZRLAEMBG-HOJAQTOUSA-N 2 2 345.531 2.633 20 30 EFEDLP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105569924 1105949776 /nfs/dbraw/zinc/94/97/76/1105949776.db2.gz BQQCMMBQUHPDRY-MRXNPFEDSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105565823 1105954772 /nfs/dbraw/zinc/95/47/72/1105954772.db2.gz BSHWMOQLDOTIJF-QGZVFWFLSA-N 2 2 330.476 2.669 20 30 EFEDLP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105585443 1105971339 /nfs/dbraw/zinc/97/13/39/1105971339.db2.gz PPSLNZXHTNPNIU-SFHVURJKSA-N 2 2 344.503 2.990 20 30 EFEDLP CC1(C)CC[N@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000898033735 1106205249 /nfs/dbraw/zinc/20/52/49/1106205249.db2.gz APDCBEKLDYVFCT-UHFFFAOYSA-N 2 2 326.488 2.849 20 30 EFEDLP CC1(C)CC[N@@H+](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000898033735 1106205253 /nfs/dbraw/zinc/20/52/53/1106205253.db2.gz APDCBEKLDYVFCT-UHFFFAOYSA-N 2 2 326.488 2.849 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106130798 1108403109 /nfs/dbraw/zinc/40/31/09/1108403109.db2.gz DFJVDXFBNPJMQJ-RHSMWYFYSA-N 2 2 326.444 2.517 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272478471 1108452724 /nfs/dbraw/zinc/45/27/24/1108452724.db2.gz KYSZLGCKJDJXBS-LJQANCHMSA-N 2 2 332.492 2.778 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272478471 1108452732 /nfs/dbraw/zinc/45/27/32/1108452732.db2.gz KYSZLGCKJDJXBS-LJQANCHMSA-N 2 2 332.492 2.778 20 30 EFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537585 1110038369 /nfs/dbraw/zinc/03/83/69/1110038369.db2.gz NRICSXVRMBXLQQ-AOIWGVFYSA-N 2 2 330.476 2.629 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168462809 1111078130 /nfs/dbraw/zinc/07/81/30/1111078130.db2.gz GPOFDMXNLKAURL-KRWDZBQOSA-N 2 2 332.492 2.894 20 30 EFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307083 1111377399 /nfs/dbraw/zinc/37/73/99/1111377399.db2.gz FSJCKJNMXUHZDZ-NVXWUHKLSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001106828749 1111889735 /nfs/dbraw/zinc/88/97/35/1111889735.db2.gz IEXLLLUEOBQAJY-SJLPKXTDSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389307 1112055253 /nfs/dbraw/zinc/05/52/53/1112055253.db2.gz OAVZZMJKKQEUPI-MRXNPFEDSA-N 2 2 344.503 2.555 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC(C)(C)C1 ZINC001089389307 1112055257 /nfs/dbraw/zinc/05/52/57/1112055257.db2.gz OAVZZMJKKQEUPI-MRXNPFEDSA-N 2 2 344.503 2.555 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089415880 1112092202 /nfs/dbraw/zinc/09/22/02/1112092202.db2.gz DUQOPMSRQXWVCV-QGZVFWFLSA-N 2 2 345.487 2.816 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089415880 1112092206 /nfs/dbraw/zinc/09/22/06/1112092206.db2.gz DUQOPMSRQXWVCV-QGZVFWFLSA-N 2 2 345.487 2.816 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652696 1112513315 /nfs/dbraw/zinc/51/33/15/1112513315.db2.gz KAWRFFOLZIZWBU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089652696 1112513317 /nfs/dbraw/zinc/51/33/17/1112513317.db2.gz KAWRFFOLZIZWBU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652696 1112513320 /nfs/dbraw/zinc/51/33/20/1112513320.db2.gz KAWRFFOLZIZWBU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089652696 1112513322 /nfs/dbraw/zinc/51/33/22/1112513322.db2.gz KAWRFFOLZIZWBU-BZUAXINKSA-N 2 2 330.476 2.696 20 30 EFEDLP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089661482 1112600888 /nfs/dbraw/zinc/60/08/88/1112600888.db2.gz XIZYICUQAGXTLN-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001089661482 1112600890 /nfs/dbraw/zinc/60/08/90/1112600890.db2.gz XIZYICUQAGXTLN-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661115 1112610168 /nfs/dbraw/zinc/61/01/68/1112610168.db2.gz SMHMMCJOTYPWMI-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001089661115 1112610169 /nfs/dbraw/zinc/61/01/69/1112610169.db2.gz SMHMMCJOTYPWMI-SJORKVTESA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001484980007 1117921235 /nfs/dbraw/zinc/92/12/35/1117921235.db2.gz FNEPGNBHTNJBRI-ZBFHGGJFSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001484980007 1117921236 /nfs/dbraw/zinc/92/12/36/1117921236.db2.gz FNEPGNBHTNJBRI-ZBFHGGJFSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485260980 1118180636 /nfs/dbraw/zinc/18/06/36/1118180636.db2.gz ZSRKQTRKVWFLBJ-CQSZACIVSA-N 2 2 326.872 2.661 20 30 EFEDLP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001485260979 1118180701 /nfs/dbraw/zinc/18/07/01/1118180701.db2.gz ZSRKQTRKVWFLBJ-AWEZNQCLSA-N 2 2 326.872 2.661 20 30 EFEDLP C=CCCCCC[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001272700624 1118533159 /nfs/dbraw/zinc/53/31/59/1118533159.db2.gz ZLXFDGCMNPOVML-SFHVURJKSA-N 2 2 344.503 2.848 20 30 EFEDLP C=CCCCCCC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272702646 1118679895 /nfs/dbraw/zinc/67/98/95/1118679895.db2.gz UBWFHOHGOUZKMH-HXUWFJFHSA-N 2 2 344.503 2.981 20 30 EFEDLP C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272702646 1118679897 /nfs/dbraw/zinc/67/98/97/1118679897.db2.gz UBWFHOHGOUZKMH-HXUWFJFHSA-N 2 2 344.503 2.981 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942487894 1118906405 /nfs/dbraw/zinc/90/64/05/1118906405.db2.gz XJBYFWMDDDASBE-HOTGVXAUSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942487894 1118906407 /nfs/dbraw/zinc/90/64/07/1118906407.db2.gz XJBYFWMDDDASBE-HOTGVXAUSA-N 2 2 326.444 2.741 20 30 EFEDLP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387251 234171168 /nfs/dbraw/zinc/17/11/68/234171168.db2.gz HLJZLDXLNBVJSI-UHFFFAOYSA-N 3 2 328.504 2.700 20 30 EFEDLP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000181483946 234200375 /nfs/dbraw/zinc/20/03/75/234200375.db2.gz BDNPSNPUWHDCIT-HNNXBMFYSA-N 2 2 337.471 2.915 20 30 EFEDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859797 234356874 /nfs/dbraw/zinc/35/68/74/234356874.db2.gz VSURJESLWGEGBG-RTWAWAEBSA-N 3 2 340.515 2.985 20 30 EFEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262517166 240358393 /nfs/dbraw/zinc/35/83/93/240358393.db2.gz NCMWDPYQEJLBLE-MRXNPFEDSA-N 2 2 349.438 2.773 20 30 EFEDLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537345 239173100 /nfs/dbraw/zinc/17/31/00/239173100.db2.gz CNLXNYRHBLPMOQ-HNNXBMFYSA-N 2 2 343.500 2.616 20 30 EFEDLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537345 239173108 /nfs/dbraw/zinc/17/31/08/239173108.db2.gz CNLXNYRHBLPMOQ-HNNXBMFYSA-N 2 2 343.500 2.616 20 30 EFEDLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537345 239173113 /nfs/dbraw/zinc/17/31/13/239173113.db2.gz CNLXNYRHBLPMOQ-HNNXBMFYSA-N 2 2 343.500 2.616 20 30 EFEDLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191537345 239173118 /nfs/dbraw/zinc/17/31/18/239173118.db2.gz CNLXNYRHBLPMOQ-HNNXBMFYSA-N 2 2 343.500 2.616 20 30 EFEDLP Cc1cnc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000174128368 239219455 /nfs/dbraw/zinc/21/94/55/239219455.db2.gz RZGRWIOXKJYNSR-UHFFFAOYSA-N 2 2 328.416 2.806 20 30 EFEDLP N#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000194055524 240136491 /nfs/dbraw/zinc/13/64/91/240136491.db2.gz UVWSWGPQMKIPBC-UHFFFAOYSA-N 2 2 336.439 2.738 20 30 EFEDLP C=C(C)COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1OC ZINC000237126074 240238356 /nfs/dbraw/zinc/23/83/56/240238356.db2.gz QLFZEHGWLJBUJG-UHFFFAOYSA-N 2 2 348.487 2.587 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247987822 240286128 /nfs/dbraw/zinc/28/61/28/240286128.db2.gz IZZDKHGDADZATJ-YSIASYRMSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247987822 240286133 /nfs/dbraw/zinc/28/61/33/240286133.db2.gz IZZDKHGDADZATJ-YSIASYRMSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247987822 240286138 /nfs/dbraw/zinc/28/61/38/240286138.db2.gz IZZDKHGDADZATJ-YSIASYRMSA-N 2 2 341.499 2.664 20 30 EFEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247987822 240286141 /nfs/dbraw/zinc/28/61/41/240286141.db2.gz IZZDKHGDADZATJ-YSIASYRMSA-N 2 2 341.499 2.664 20 30 EFEDLP CC[NH+]=C(NCc1ccsc1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261961058 240332576 /nfs/dbraw/zinc/33/25/76/240332576.db2.gz KFMPPFSOIPSMEQ-GOEBONIOSA-N 2 2 331.489 2.993 20 30 EFEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NC[C@]1(C)CCCS1 ZINC000261949378 240333943 /nfs/dbraw/zinc/33/39/43/240333943.db2.gz GWXRTKVZCVRHGJ-SFHVURJKSA-N 2 2 345.516 2.795 20 30 EFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1nc(C(C)C)cs1 ZINC000261977215 240337101 /nfs/dbraw/zinc/33/71/01/240337101.db2.gz NXCSWYZVNWTBHO-UHFFFAOYSA-N 2 2 346.504 2.665 20 30 EFEDLP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262003474 240340168 /nfs/dbraw/zinc/34/01/68/240340168.db2.gz UYYNLCBNKPWTKB-DOMZBBRYSA-N 2 2 346.504 2.615 20 30 EFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1cccc(Cl)c1 ZINC000262812987 240370326 /nfs/dbraw/zinc/37/03/26/240370326.db2.gz UXAPNJPOYGEUDW-LBPRGKRZSA-N 2 2 348.882 2.566 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)CCC2 ZINC000328654335 241213266 /nfs/dbraw/zinc/21/32/66/241213266.db2.gz LRWKLEUEGYTZTA-HOTGVXAUSA-N 2 2 345.491 2.589 20 30 EFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@H+](C3CCCC3)C1)CCC2 ZINC000328654335 241213272 /nfs/dbraw/zinc/21/32/72/241213272.db2.gz LRWKLEUEGYTZTA-HOTGVXAUSA-N 2 2 345.491 2.589 20 30 EFEDLP Cn1cc[nH+]c1[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000329078158 241298772 /nfs/dbraw/zinc/29/87/72/241298772.db2.gz CWDFAJYOCZSFHN-KRWDZBQOSA-N 2 2 346.475 2.719 20 30 EFEDLP C=CCCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000356564550 242075431 /nfs/dbraw/zinc/07/54/31/242075431.db2.gz JWNCKGLKVQQAFM-JWTNVVGKSA-N 2 2 331.504 2.502 20 30 EFEDLP C=CCCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000356564550 242075438 /nfs/dbraw/zinc/07/54/38/242075438.db2.gz JWNCKGLKVQQAFM-JWTNVVGKSA-N 2 2 331.504 2.502 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361216643 242219427 /nfs/dbraw/zinc/21/94/27/242219427.db2.gz NTKGWDVKNBGORM-OAHLLOKOSA-N 2 2 325.460 2.877 20 30 EFEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458963 284348432 /nfs/dbraw/zinc/34/84/32/284348432.db2.gz VCVDPALXKXHUGA-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458963 284348433 /nfs/dbraw/zinc/34/84/33/284348433.db2.gz VCVDPALXKXHUGA-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458963 284348434 /nfs/dbraw/zinc/34/84/34/284348434.db2.gz VCVDPALXKXHUGA-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245458963 284348436 /nfs/dbraw/zinc/34/84/36/284348436.db2.gz VCVDPALXKXHUGA-MSOLQXFVSA-N 2 2 342.487 2.595 20 30 EFEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000266099900 248095853 /nfs/dbraw/zinc/09/58/53/248095853.db2.gz KCNLKZHIJNWMGK-LBPRGKRZSA-N 2 2 334.851 2.613 20 30 EFEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000442708340 250104031 /nfs/dbraw/zinc/10/40/31/250104031.db2.gz FYQUBVVILRTBKB-NHCUHLMSSA-N 2 2 340.515 2.866 20 30 EFEDLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000443999805 250247945 /nfs/dbraw/zinc/24/79/45/250247945.db2.gz DQCRQQGCLJVSFL-SFTDATJTSA-N 2 2 335.451 2.592 20 30 EFEDLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1C#N ZINC000443999805 250247951 /nfs/dbraw/zinc/24/79/51/250247951.db2.gz DQCRQQGCLJVSFL-SFTDATJTSA-N 2 2 335.451 2.592 20 30 EFEDLP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000449635694 251088490 /nfs/dbraw/zinc/08/84/90/251088490.db2.gz YIQYTXAAIAHGRY-YWZLYKJASA-N 2 2 327.472 2.926 20 30 EFEDLP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000449635691 251089220 /nfs/dbraw/zinc/08/92/20/251089220.db2.gz YIQYTXAAIAHGRY-FOIQADDNSA-N 2 2 327.472 2.926 20 30 EFEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459540728 255894499 /nfs/dbraw/zinc/89/44/99/255894499.db2.gz RFVGHMKWLULYKK-UHFFFAOYSA-N 2 2 348.516 2.757 20 30 EFEDLP N#Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000344550124 142038980 /nfs/dbraw/zinc/03/89/80/142038980.db2.gz FDJIYHGZWLXWRJ-MJGOQNOKSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000344550124 142038981 /nfs/dbraw/zinc/03/89/81/142038981.db2.gz FDJIYHGZWLXWRJ-MJGOQNOKSA-N 2 2 341.480 2.592 20 30 EFEDLP N#Cc1cccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000344578379 142043159 /nfs/dbraw/zinc/04/31/59/142043159.db2.gz DVLHSZIPALMFGR-UHFFFAOYSA-N 2 2 341.378 2.737 20 30 EFEDLP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071645 145361623 /nfs/dbraw/zinc/36/16/23/145361623.db2.gz KIEIFIUJBARHAT-HXUWFJFHSA-N 3 2 340.515 2.844 20 30 EFEDLP CC[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071645 145361626 /nfs/dbraw/zinc/36/16/26/145361626.db2.gz KIEIFIUJBARHAT-HXUWFJFHSA-N 3 2 340.515 2.844 20 30 EFEDLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000356144362 147159112 /nfs/dbraw/zinc/15/91/12/147159112.db2.gz YZGGLGHROBUTES-GJZGRUSLSA-N 2 2 348.516 2.726 20 30 EFEDLP C#CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000113325163 544569880 /nfs/dbraw/zinc/56/98/80/544569880.db2.gz VDXGQNLBHQZICP-UHFFFAOYSA-N 2 2 332.407 2.878 20 30 EFEDLP Cn1c[nH+]cc1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000297661611 270025530 /nfs/dbraw/zinc/02/55/30/270025530.db2.gz NYFDGRMFRNVWRC-UHFFFAOYSA-N 2 2 328.391 2.517 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423462858 270028148 /nfs/dbraw/zinc/02/81/48/270028148.db2.gz FFFOBHJYFKZGCD-RTBURBONSA-N 3 2 326.488 2.630 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453261626 270028745 /nfs/dbraw/zinc/02/87/45/270028745.db2.gz KEHLUBZRQVZAML-ICSRJNTNSA-N 2 2 327.472 2.762 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453261626 270028747 /nfs/dbraw/zinc/02/87/47/270028747.db2.gz KEHLUBZRQVZAML-ICSRJNTNSA-N 2 2 327.472 2.762 20 30 EFEDLP CC(C)[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271871327 266084132 /nfs/dbraw/zinc/08/41/32/266084132.db2.gz MQSWGBRNGPSKEV-UHFFFAOYSA-N 3 2 328.504 2.843 20 30 EFEDLP CC(C)[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271871327 266084136 /nfs/dbraw/zinc/08/41/36/266084136.db2.gz MQSWGBRNGPSKEV-UHFFFAOYSA-N 3 2 328.504 2.843 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277191220 267128150 /nfs/dbraw/zinc/12/81/50/267128150.db2.gz LWWSRQUNJSVMCO-XJKSGUPXSA-N 2 2 348.878 2.955 20 30 EFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277191220 267128152 /nfs/dbraw/zinc/12/81/52/267128152.db2.gz LWWSRQUNJSVMCO-XJKSGUPXSA-N 2 2 348.878 2.955 20 30 EFEDLP C[C@@H]1CN(c2cccc(Cl)c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450420573 274365573 /nfs/dbraw/zinc/36/55/73/274365573.db2.gz QWURRYJGUYUYEG-CQSZACIVSA-N 2 2 332.879 2.816 20 30 EFEDLP C[C@@H]1CN(c2cccc(Cl)c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450420573 274365574 /nfs/dbraw/zinc/36/55/74/274365574.db2.gz QWURRYJGUYUYEG-CQSZACIVSA-N 2 2 332.879 2.816 20 30 EFEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000173619627 279481862 /nfs/dbraw/zinc/48/18/62/279481862.db2.gz VCXOYIZUAQBJDD-QGZVFWFLSA-N 2 2 342.487 2.784 20 30 EFEDLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589040 295131157 /nfs/dbraw/zinc/13/11/57/295131157.db2.gz HQGWKMGUVJAWGK-MSOLQXFVSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589040 295131158 /nfs/dbraw/zinc/13/11/58/295131158.db2.gz HQGWKMGUVJAWGK-MSOLQXFVSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589040 295131159 /nfs/dbraw/zinc/13/11/59/295131159.db2.gz HQGWKMGUVJAWGK-MSOLQXFVSA-N 2 2 343.471 2.904 20 30 EFEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OCCCC#N ZINC000272589040 295131160 /nfs/dbraw/zinc/13/11/60/295131160.db2.gz HQGWKMGUVJAWGK-MSOLQXFVSA-N 2 2 343.471 2.904 20 30 EFEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)Nc1cc(F)ccc1F ZINC000262330716 303219279 /nfs/dbraw/zinc/21/92/79/303219279.db2.gz XZGWSIQWFJIGII-UHFFFAOYSA-N 2 2 336.411 2.811 20 30 EFEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)Nc1cc(F)ccc1F ZINC000262330716 303219282 /nfs/dbraw/zinc/21/92/82/303219282.db2.gz XZGWSIQWFJIGII-UHFFFAOYSA-N 2 2 336.411 2.811 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000576766406 320047465 /nfs/dbraw/zinc/04/74/65/320047465.db2.gz QQHVXMSWHGRZQB-VQTJNVASSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000576766406 320047466 /nfs/dbraw/zinc/04/74/66/320047466.db2.gz QQHVXMSWHGRZQB-VQTJNVASSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000576766406 320047469 /nfs/dbraw/zinc/04/74/69/320047469.db2.gz QQHVXMSWHGRZQB-VQTJNVASSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000576766406 320047472 /nfs/dbraw/zinc/04/74/72/320047472.db2.gz QQHVXMSWHGRZQB-VQTJNVASSA-N 2 2 332.451 2.907 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632485 473236461 /nfs/dbraw/zinc/23/64/61/473236461.db2.gz LCCALOZKSUPPIU-CRAIPNDOSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632485 473236465 /nfs/dbraw/zinc/23/64/65/473236465.db2.gz LCCALOZKSUPPIU-CRAIPNDOSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632485 473236469 /nfs/dbraw/zinc/23/64/69/473236469.db2.gz LCCALOZKSUPPIU-CRAIPNDOSA-N 2 2 340.471 2.549 20 30 EFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632485 473236474 /nfs/dbraw/zinc/23/64/74/473236474.db2.gz LCCALOZKSUPPIU-CRAIPNDOSA-N 2 2 340.471 2.549 20 30 EFEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)N[C@H]1CCOc2ccccc21 ZINC000083032051 473315924 /nfs/dbraw/zinc/31/59/24/473315924.db2.gz IFDPMGDKOKKKQV-AWEZNQCLSA-N 2 2 335.411 2.534 20 30 EFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000083035975 473317675 /nfs/dbraw/zinc/31/76/75/473317675.db2.gz ZYIWGIDBAGFYHP-ZWKOTPCHSA-N 2 2 338.455 2.717 20 30 EFEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000083170669 473326467 /nfs/dbraw/zinc/32/64/67/473326467.db2.gz HNHJMKPQFWLNSO-LJQANCHMSA-N 2 2 343.471 2.825 20 30 EFEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000083170669 473326474 /nfs/dbraw/zinc/32/64/74/473326474.db2.gz HNHJMKPQFWLNSO-LJQANCHMSA-N 2 2 343.471 2.825 20 30 EFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(C#N)cc1OC ZINC000177341568 473359306 /nfs/dbraw/zinc/35/93/06/473359306.db2.gz OPZNEQLYYAZOPB-SJORKVTESA-N 2 2 329.444 2.504 20 30 EFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(C#N)cc1OC ZINC000177341568 473359313 /nfs/dbraw/zinc/35/93/13/473359313.db2.gz OPZNEQLYYAZOPB-SJORKVTESA-N 2 2 329.444 2.504 20 30 EFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(C#N)cc1OC ZINC000177341568 473359319 /nfs/dbraw/zinc/35/93/19/473359319.db2.gz OPZNEQLYYAZOPB-SJORKVTESA-N 2 2 329.444 2.504 20 30 EFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(C#N)cc1OC ZINC000177341568 473359324 /nfs/dbraw/zinc/35/93/24/473359324.db2.gz OPZNEQLYYAZOPB-SJORKVTESA-N 2 2 329.444 2.504 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(C#N)n3)CC2)c1 ZINC000602706405 479490989 /nfs/dbraw/zinc/49/09/89/479490989.db2.gz PBTRINJLLGAZNM-UHFFFAOYSA-N 2 2 331.423 2.579 20 30 EFEDLP CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000030654858 472344365 /nfs/dbraw/zinc/34/43/65/472344365.db2.gz YGGYCTHCFMAABQ-UHFFFAOYSA-N 2 2 346.438 2.907 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000076679987 472384491 /nfs/dbraw/zinc/38/44/91/472384491.db2.gz POOTWHNNFXNWGQ-HXUWFJFHSA-N 2 2 344.499 2.715 20 30 EFEDLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000116396967 472400307 /nfs/dbraw/zinc/40/03/07/472400307.db2.gz FZEADYCLSHFGED-RHSMWYFYSA-N 2 2 330.476 2.841 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154745113 472467554 /nfs/dbraw/zinc/46/75/54/472467554.db2.gz CWBQLDSHBQGADF-LJQANCHMSA-N 2 2 333.520 2.631 20 30 EFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154745113 472467562 /nfs/dbraw/zinc/46/75/62/472467562.db2.gz CWBQLDSHBQGADF-LJQANCHMSA-N 2 2 333.520 2.631 20 30 EFEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)CC1 ZINC000613423481 479994002 /nfs/dbraw/zinc/99/40/02/479994002.db2.gz GKKAJBLOOFEQII-INIZCTEOSA-N 2 2 341.503 2.831 20 30 EFEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)CC1 ZINC000613423481 479994007 /nfs/dbraw/zinc/99/40/07/479994007.db2.gz GKKAJBLOOFEQII-INIZCTEOSA-N 2 2 341.503 2.831 20 30 EFEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)CC1 ZINC000613423493 479994179 /nfs/dbraw/zinc/99/41/79/479994179.db2.gz GKKAJBLOOFEQII-MRXNPFEDSA-N 2 2 341.503 2.831 20 30 EFEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)CC1 ZINC000613423493 479994187 /nfs/dbraw/zinc/99/41/87/479994187.db2.gz GKKAJBLOOFEQII-MRXNPFEDSA-N 2 2 341.503 2.831 20 30 EFEDLP N#CCCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000102400119 472575039 /nfs/dbraw/zinc/57/50/39/472575039.db2.gz FTKNPVZMRWWSGU-IBGZPJMESA-N 2 2 341.503 2.609 20 30 EFEDLP N#CCCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000102400119 472575044 /nfs/dbraw/zinc/57/50/44/472575044.db2.gz FTKNPVZMRWWSGU-IBGZPJMESA-N 2 2 341.503 2.609 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000104154757 472659882 /nfs/dbraw/zinc/65/98/82/472659882.db2.gz FZQLODDPTYCLKG-ZDUSSCGKSA-N 2 2 348.472 2.795 20 30 EFEDLP CN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1(C#N)CCCCC1 ZINC000157531992 472830369 /nfs/dbraw/zinc/83/03/69/472830369.db2.gz ZJWGAZZCLSWRNF-SFHVURJKSA-N 2 2 346.519 2.622 20 30 EFEDLP CN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1(C#N)CCCCC1 ZINC000157531992 472830377 /nfs/dbraw/zinc/83/03/77/472830377.db2.gz ZJWGAZZCLSWRNF-SFHVURJKSA-N 2 2 346.519 2.622 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000106246408 472836285 /nfs/dbraw/zinc/83/62/85/472836285.db2.gz KQBYQESTGITKNH-UHFFFAOYSA-N 2 2 334.460 2.843 20 30 EFEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1cccs1 ZINC000073657425 472847451 /nfs/dbraw/zinc/84/74/51/472847451.db2.gz MOUSROYNNPLNQT-UHFFFAOYSA-N 2 2 334.514 2.533 20 30 EFEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1cccs1 ZINC000073657425 472847455 /nfs/dbraw/zinc/84/74/55/472847455.db2.gz MOUSROYNNPLNQT-UHFFFAOYSA-N 2 2 334.514 2.533 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000185770628 473509273 /nfs/dbraw/zinc/50/92/73/473509273.db2.gz YGLNFIVZRAKDSL-RTBURBONSA-N 2 2 326.488 2.871 20 30 EFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000185799897 473518090 /nfs/dbraw/zinc/51/80/90/473518090.db2.gz BSBLEHJAEDHMNK-IEBWSBKVSA-N 2 2 343.471 2.570 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191976078 473597836 /nfs/dbraw/zinc/59/78/36/473597836.db2.gz DTHQIEUTHYXZOI-IAGOWNOFSA-N 2 2 344.478 2.688 20 30 EFEDLP C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000172414508 473603459 /nfs/dbraw/zinc/60/34/59/473603459.db2.gz BRWWRJFGOFLWBQ-UHFFFAOYSA-N 2 2 339.443 2.859 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355018 473672648 /nfs/dbraw/zinc/67/26/48/473672648.db2.gz YOQVZGMRSZJELP-LJQANCHMSA-N 2 2 325.412 2.532 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355018 473672651 /nfs/dbraw/zinc/67/26/51/473672651.db2.gz YOQVZGMRSZJELP-LJQANCHMSA-N 2 2 325.412 2.532 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355023 473672711 /nfs/dbraw/zinc/67/27/11/473672711.db2.gz YOQVZGMRSZJELP-IBGZPJMESA-N 2 2 325.412 2.532 20 30 EFEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355023 473672715 /nfs/dbraw/zinc/67/27/15/473672715.db2.gz YOQVZGMRSZJELP-IBGZPJMESA-N 2 2 325.412 2.532 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180488982 473889023 /nfs/dbraw/zinc/88/90/23/473889023.db2.gz XQCDSDFZONAZLF-LJQANCHMSA-N 2 2 328.435 2.889 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180488855 473889201 /nfs/dbraw/zinc/88/92/01/473889201.db2.gz HFTAXDQCXYDWIY-WBVHZDCISA-N 2 2 337.508 2.872 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180488998 473889768 /nfs/dbraw/zinc/88/97/68/473889768.db2.gz XQCDSDFZONAZLF-IBGZPJMESA-N 2 2 328.435 2.889 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180489235 473889796 /nfs/dbraw/zinc/88/97/96/473889796.db2.gz VIIADUITVYMJDO-NVXWUHKLSA-N 2 2 337.508 2.920 20 30 EFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000264076340 473947427 /nfs/dbraw/zinc/94/74/27/473947427.db2.gz FTMMEXUQCJVOLU-CQSZACIVSA-N 2 2 348.472 2.795 20 30 EFEDLP CCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000264135300 473953648 /nfs/dbraw/zinc/95/36/48/473953648.db2.gz ZIXYYPBVMFKGSJ-INIZCTEOSA-N 2 2 328.485 2.772 20 30 EFEDLP CCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000264135300 473953657 /nfs/dbraw/zinc/95/36/57/473953657.db2.gz ZIXYYPBVMFKGSJ-INIZCTEOSA-N 2 2 328.485 2.772 20 30 EFEDLP C=C(C)C[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000181316542 474026380 /nfs/dbraw/zinc/02/63/80/474026380.db2.gz KOUVRCYXIYGFQA-UHFFFAOYSA-N 2 2 336.505 2.821 20 30 EFEDLP C=C(C)C[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000181316542 474026384 /nfs/dbraw/zinc/02/63/84/474026384.db2.gz KOUVRCYXIYGFQA-UHFFFAOYSA-N 2 2 336.505 2.821 20 30 EFEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276855 474042666 /nfs/dbraw/zinc/04/26/66/474042666.db2.gz TUOKYYVROYRBIN-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276855 474042671 /nfs/dbraw/zinc/04/26/71/474042671.db2.gz TUOKYYVROYRBIN-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276855 474042674 /nfs/dbraw/zinc/04/26/74/474042674.db2.gz TUOKYYVROYRBIN-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C[NH+](Cc1ccc(C#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276855 474042679 /nfs/dbraw/zinc/04/26/79/474042679.db2.gz TUOKYYVROYRBIN-NRFANRHFSA-N 2 2 335.451 2.627 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247640716 474191951 /nfs/dbraw/zinc/19/19/51/474191951.db2.gz SVOZMWKCXOHAIP-DLBZAZTESA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247640716 474191960 /nfs/dbraw/zinc/19/19/60/474191960.db2.gz SVOZMWKCXOHAIP-DLBZAZTESA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247640716 474191967 /nfs/dbraw/zinc/19/19/67/474191967.db2.gz SVOZMWKCXOHAIP-DLBZAZTESA-N 2 2 334.508 2.524 20 30 EFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247640716 474191976 /nfs/dbraw/zinc/19/19/76/474191976.db2.gz SVOZMWKCXOHAIP-DLBZAZTESA-N 2 2 334.508 2.524 20 30 EFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289314440 474221868 /nfs/dbraw/zinc/22/18/68/474221868.db2.gz BOQKAORHXIFQJV-QGZVFWFLSA-N 2 2 343.471 2.822 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706466 474386651 /nfs/dbraw/zinc/38/66/51/474386651.db2.gz OTZVKQBVGGAGTN-OAQYLSRUSA-N 2 2 334.467 2.995 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706466 474386657 /nfs/dbraw/zinc/38/66/57/474386657.db2.gz OTZVKQBVGGAGTN-OAQYLSRUSA-N 2 2 334.467 2.995 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706466 474386664 /nfs/dbraw/zinc/38/66/64/474386664.db2.gz OTZVKQBVGGAGTN-OAQYLSRUSA-N 2 2 334.467 2.995 20 30 EFEDLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000289706466 474386668 /nfs/dbraw/zinc/38/66/68/474386668.db2.gz OTZVKQBVGGAGTN-OAQYLSRUSA-N 2 2 334.467 2.995 20 30 EFEDLP CCc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000265968186 474406085 /nfs/dbraw/zinc/40/60/85/474406085.db2.gz AFBNVKPOTODVFD-UHFFFAOYSA-N 2 2 335.455 2.931 20 30 EFEDLP CCc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000265968186 474406090 /nfs/dbraw/zinc/40/60/90/474406090.db2.gz AFBNVKPOTODVFD-UHFFFAOYSA-N 2 2 335.455 2.931 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000266934622 474536136 /nfs/dbraw/zinc/53/61/36/474536136.db2.gz PLKOZHUSPZXKJX-GXTWGEPZSA-N 2 2 341.415 2.698 20 30 EFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1C ZINC000266934622 474536143 /nfs/dbraw/zinc/53/61/43/474536143.db2.gz PLKOZHUSPZXKJX-GXTWGEPZSA-N 2 2 341.415 2.698 20 30 EFEDLP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271831711 474595352 /nfs/dbraw/zinc/59/53/52/474595352.db2.gz FDRFPAMQAAUEEZ-FQEVSTJZSA-N 2 2 349.482 2.923 20 30 EFEDLP CN(C)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271878865 474597014 /nfs/dbraw/zinc/59/70/14/474597014.db2.gz OUFIBGNZRRSJOJ-UHFFFAOYSA-N 2 2 349.482 2.773 20 30 EFEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277848475 474597855 /nfs/dbraw/zinc/59/78/55/474597855.db2.gz SSOOKAVMFPFHOR-UHFFFAOYSA-N 2 2 343.862 2.929 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000267283988 474637071 /nfs/dbraw/zinc/63/70/71/474637071.db2.gz HGLZLEKNIXDOPM-UHFFFAOYSA-N 2 2 330.407 2.693 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000267283988 474637075 /nfs/dbraw/zinc/63/70/75/474637075.db2.gz HGLZLEKNIXDOPM-UHFFFAOYSA-N 2 2 330.407 2.693 20 30 EFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933806 474722456 /nfs/dbraw/zinc/72/24/56/474722456.db2.gz JIKBPCNJBHENMZ-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933806 474722462 /nfs/dbraw/zinc/72/24/62/474722462.db2.gz JIKBPCNJBHENMZ-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933806 474722468 /nfs/dbraw/zinc/72/24/68/474722468.db2.gz JIKBPCNJBHENMZ-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933806 474722473 /nfs/dbraw/zinc/72/24/73/474722473.db2.gz JIKBPCNJBHENMZ-LJQANCHMSA-N 2 2 337.427 2.526 20 30 EFEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000268564430 475035774 /nfs/dbraw/zinc/03/57/74/475035774.db2.gz PRVZMCVWBZZFBK-PMACEKPBSA-N 2 2 326.488 2.743 20 30 EFEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000268564430 475035782 /nfs/dbraw/zinc/03/57/82/475035782.db2.gz PRVZMCVWBZZFBK-PMACEKPBSA-N 2 2 326.488 2.743 20 30 EFEDLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1 ZINC000286980823 475088411 /nfs/dbraw/zinc/08/84/11/475088411.db2.gz COZASJMEYKJKDU-KRWDZBQOSA-N 2 2 341.459 2.898 20 30 EFEDLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1 ZINC000286980827 475088667 /nfs/dbraw/zinc/08/86/67/475088667.db2.gz COZASJMEYKJKDU-QGZVFWFLSA-N 2 2 341.459 2.898 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330301774 475225596 /nfs/dbraw/zinc/22/55/96/475225596.db2.gz NZAHTGVOEXSDBJ-RDJZCZTQSA-N 2 2 345.491 2.828 20 30 EFEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330301774 475225599 /nfs/dbraw/zinc/22/55/99/475225599.db2.gz NZAHTGVOEXSDBJ-RDJZCZTQSA-N 2 2 345.491 2.828 20 30 EFEDLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000330723592 475271435 /nfs/dbraw/zinc/27/14/35/475271435.db2.gz YRFUGMXBABCMFA-CQSZACIVSA-N 2 2 335.496 2.546 20 30 EFEDLP C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354743163 475375541 /nfs/dbraw/zinc/37/55/41/475375541.db2.gz GDMUYWCQRIOBBL-INIZCTEOSA-N 2 2 349.482 2.711 20 30 EFEDLP C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354743163 475375550 /nfs/dbraw/zinc/37/55/50/475375550.db2.gz GDMUYWCQRIOBBL-INIZCTEOSA-N 2 2 349.482 2.711 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC(F)(F)F)CC2)cc1 ZINC000361457582 475462996 /nfs/dbraw/zinc/46/29/96/475462996.db2.gz AZSKFOUFHZUSNW-UHFFFAOYSA-N 2 2 327.350 2.649 20 30 EFEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348300442 475572915 /nfs/dbraw/zinc/57/29/15/475572915.db2.gz AQBYHOHTZKAEAR-FHWLQOOXSA-N 2 2 342.487 2.575 20 30 EFEDLP C=CCOc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349333074 475946513 /nfs/dbraw/zinc/94/65/13/475946513.db2.gz PZRDYGQWKJBPBA-GOSISDBHSA-N 2 2 343.515 2.852 20 30 EFEDLP C=CCOc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349333074 475946517 /nfs/dbraw/zinc/94/65/17/475946517.db2.gz PZRDYGQWKJBPBA-GOSISDBHSA-N 2 2 343.515 2.852 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000362035704 475954254 /nfs/dbraw/zinc/95/42/54/475954254.db2.gz DQNPWPPSUYGWEA-PMACEKPBSA-N 2 2 325.456 2.680 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3O)CC2)cc1 ZINC000362044182 475957911 /nfs/dbraw/zinc/95/79/11/475957911.db2.gz YSCHFEFMIZJBMG-VXKWHMMOSA-N 2 2 347.462 2.771 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744551 476056205 /nfs/dbraw/zinc/05/62/05/476056205.db2.gz MYNZKDJRXDPGGA-WIYYLYMNSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355744551 476056216 /nfs/dbraw/zinc/05/62/16/476056216.db2.gz MYNZKDJRXDPGGA-WIYYLYMNSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355744551 476056218 /nfs/dbraw/zinc/05/62/18/476056218.db2.gz MYNZKDJRXDPGGA-WIYYLYMNSA-N 2 2 341.499 2.665 20 30 EFEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355744551 476056227 /nfs/dbraw/zinc/05/62/27/476056227.db2.gz MYNZKDJRXDPGGA-WIYYLYMNSA-N 2 2 341.499 2.665 20 30 EFEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC2(C#N)CC2)CC1 ZINC000343583642 476088548 /nfs/dbraw/zinc/08/85/48/476088548.db2.gz UHBWGROHAZVVQF-OAHLLOKOSA-N 2 2 330.451 2.922 20 30 EFEDLP C[NH+](CCC[N@@H+](C)CCOc1cccc(C#N)c1)Cc1ccco1 ZINC000353577076 476093360 /nfs/dbraw/zinc/09/33/60/476093360.db2.gz RIURTFNSNJFQQD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@H+](C)CCOc1cccc(C#N)c1)Cc1ccco1 ZINC000353577076 476093366 /nfs/dbraw/zinc/09/33/66/476093366.db2.gz RIURTFNSNJFQQD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCOc1cccc(C#N)c1 ZINC000353577076 476093369 /nfs/dbraw/zinc/09/33/69/476093369.db2.gz RIURTFNSNJFQQD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCOc1cccc(C#N)c1 ZINC000353577076 476093375 /nfs/dbraw/zinc/09/33/75/476093375.db2.gz RIURTFNSNJFQQD-UHFFFAOYSA-N 2 2 327.428 2.984 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343752232 476108396 /nfs/dbraw/zinc/10/83/96/476108396.db2.gz QJLVDBBIPCPXPY-LJQANCHMSA-N 2 2 344.499 2.715 20 30 EFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343752232 476108401 /nfs/dbraw/zinc/10/84/01/476108401.db2.gz QJLVDBBIPCPXPY-LJQANCHMSA-N 2 2 344.499 2.715 20 30 EFEDLP C[C@H]1CN(CC#Cc2ccccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343744956 476109029 /nfs/dbraw/zinc/10/90/29/476109029.db2.gz VVESKOKCZIRWBT-KRWDZBQOSA-N 2 2 345.918 2.792 20 30 EFEDLP C[C@H]1CN(CC#Cc2ccccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343744956 476109037 /nfs/dbraw/zinc/10/90/37/476109037.db2.gz VVESKOKCZIRWBT-KRWDZBQOSA-N 2 2 345.918 2.792 20 30 EFEDLP N#CCCn1cc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c(-c2ccccc2)n1 ZINC000353684854 476186769 /nfs/dbraw/zinc/18/67/69/476186769.db2.gz TXWPIUYYSASFRU-IEBWSBKVSA-N 2 2 335.455 2.648 20 30 EFEDLP N#CCCn1cc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c(-c2ccccc2)n1 ZINC000353684854 476186775 /nfs/dbraw/zinc/18/67/75/476186775.db2.gz TXWPIUYYSASFRU-IEBWSBKVSA-N 2 2 335.455 2.648 20 30 EFEDLP C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360690137 476342464 /nfs/dbraw/zinc/34/24/64/476342464.db2.gz HPUPQLBYKYEGMF-FXAWDEMLSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360690137 476342467 /nfs/dbraw/zinc/34/24/67/476342467.db2.gz HPUPQLBYKYEGMF-FXAWDEMLSA-N 2 2 345.918 2.649 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000368535999 476355726 /nfs/dbraw/zinc/35/57/26/476355726.db2.gz CEARBTCMPFICDB-LFGUQSLTSA-N 2 2 329.488 2.863 20 30 EFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000368535999 476355729 /nfs/dbraw/zinc/35/57/29/476355729.db2.gz CEARBTCMPFICDB-LFGUQSLTSA-N 2 2 329.488 2.863 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924452 476379626 /nfs/dbraw/zinc/37/96/26/476379626.db2.gz LRYPWFRKOJKUBN-SJLPKXTDSA-N 2 2 336.524 2.541 20 30 EFEDLP C=CCCC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924452 476379633 /nfs/dbraw/zinc/37/96/33/476379633.db2.gz LRYPWFRKOJKUBN-SJLPKXTDSA-N 2 2 336.524 2.541 20 30 EFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225411 476519848 /nfs/dbraw/zinc/51/98/48/476519848.db2.gz SCVDITJNIVWWPD-PKOBYXMFSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225411 476519855 /nfs/dbraw/zinc/51/98/55/476519855.db2.gz SCVDITJNIVWWPD-PKOBYXMFSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225411 476519860 /nfs/dbraw/zinc/51/98/60/476519860.db2.gz SCVDITJNIVWWPD-PKOBYXMFSA-N 2 2 342.487 2.738 20 30 EFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000354225411 476519868 /nfs/dbraw/zinc/51/98/68/476519868.db2.gz SCVDITJNIVWWPD-PKOBYXMFSA-N 2 2 342.487 2.738 20 30 EFEDLP Cn1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000377827219 476599937 /nfs/dbraw/zinc/59/99/37/476599937.db2.gz UPDMUVYIJNFWGY-QGZVFWFLSA-N 2 2 346.438 2.682 20 30 EFEDLP Cn1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000377827219 476599943 /nfs/dbraw/zinc/59/99/43/476599943.db2.gz UPDMUVYIJNFWGY-QGZVFWFLSA-N 2 2 346.438 2.682 20 30 EFEDLP C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147397 476678833 /nfs/dbraw/zinc/67/88/33/476678833.db2.gz CEHMDJOUMFHIHU-PXNSSMCTSA-N 2 2 345.918 2.649 20 30 EFEDLP C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147397 476678838 /nfs/dbraw/zinc/67/88/38/476678838.db2.gz CEHMDJOUMFHIHU-PXNSSMCTSA-N 2 2 345.918 2.649 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981436 476878389 /nfs/dbraw/zinc/87/83/89/476878389.db2.gz SURFNCYAELCFKN-PZJWPPBQSA-N 3 2 341.499 2.872 20 30 EFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423218983 476967573 /nfs/dbraw/zinc/96/75/73/476967573.db2.gz SWMJMEMSLXDMGV-APWZRJJASA-N 3 2 326.488 2.500 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000423421817 477028906 /nfs/dbraw/zinc/02/89/06/477028906.db2.gz KMXQVXZBYFENLC-UAPYVXQJSA-N 3 2 340.515 2.877 20 30 EFEDLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424145655 477308356 /nfs/dbraw/zinc/30/83/56/477308356.db2.gz NYMMODWXJIHFHT-WMLDXEAASA-N 2 2 348.878 2.566 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000424167148 477314614 /nfs/dbraw/zinc/31/46/14/477314614.db2.gz BYBFJKZQGCARLY-SJLPKXTDSA-N 2 2 325.460 2.607 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000424167148 477314620 /nfs/dbraw/zinc/31/46/20/477314620.db2.gz BYBFJKZQGCARLY-SJLPKXTDSA-N 2 2 325.460 2.607 20 30 EFEDLP C=CCCCC[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000449103285 477440216 /nfs/dbraw/zinc/44/02/16/477440216.db2.gz ALEPIDKLCSPLBG-GOSISDBHSA-N 2 2 344.503 2.845 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212854 477489889 /nfs/dbraw/zinc/48/98/89/477489889.db2.gz VOBXLDSWNNDYKY-WBFXSEPVSA-N 2 2 327.472 2.684 20 30 EFEDLP CC1(C#N)CCC([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212854 477489892 /nfs/dbraw/zinc/48/98/92/477489892.db2.gz VOBXLDSWNNDYKY-WBFXSEPVSA-N 2 2 327.472 2.684 20 30 EFEDLP C=CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000450361900 477590952 /nfs/dbraw/zinc/59/09/52/477590952.db2.gz GWIAMUPSRPEHDT-QGZVFWFLSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000450361900 477590960 /nfs/dbraw/zinc/59/09/60/477590960.db2.gz GWIAMUPSRPEHDT-QGZVFWFLSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420362976 477721613 /nfs/dbraw/zinc/72/16/13/477721613.db2.gz NNELHYJJWDZREQ-MRXNPFEDSA-N 2 2 333.501 2.881 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420381176 477735368 /nfs/dbraw/zinc/73/53/68/477735368.db2.gz YYKATDHVDXNBAZ-QSJFSLAZSA-N 2 2 335.517 2.627 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420389775 477739828 /nfs/dbraw/zinc/73/98/28/477739828.db2.gz YTUYDUGENZHWIN-CABCVRRESA-N 2 2 333.501 2.820 20 30 EFEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420389775 477739836 /nfs/dbraw/zinc/73/98/36/477739836.db2.gz YTUYDUGENZHWIN-CABCVRRESA-N 2 2 333.501 2.820 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000515404058 477819230 /nfs/dbraw/zinc/81/92/30/477819230.db2.gz HNKMIFZGADPYQM-IRFCIJBXSA-N 3 2 338.499 2.500 20 30 EFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000421320683 478034230 /nfs/dbraw/zinc/03/42/30/478034230.db2.gz AVTAZJGIHBPZRD-UHFFFAOYSA-N 2 2 339.414 2.819 20 30 EFEDLP C[NH+](C)C1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000421369107 478060201 /nfs/dbraw/zinc/06/02/01/478060201.db2.gz HFYROBZKSWYXIV-UHFFFAOYSA-N 3 2 340.515 2.985 20 30 EFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000534325245 478143954 /nfs/dbraw/zinc/14/39/54/478143954.db2.gz XBRFAKWKMASHAU-SFHVURJKSA-N 2 2 330.476 2.940 20 30 EFEDLP Cc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488973426 478206891 /nfs/dbraw/zinc/20/68/91/478206891.db2.gz FWMJHHMJSYSOSZ-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488973426 478206893 /nfs/dbraw/zinc/20/68/93/478206893.db2.gz FWMJHHMJSYSOSZ-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488973426 478206896 /nfs/dbraw/zinc/20/68/96/478206896.db2.gz FWMJHHMJSYSOSZ-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488973426 478206899 /nfs/dbraw/zinc/20/68/99/478206899.db2.gz FWMJHHMJSYSOSZ-QFIPXVFZSA-N 2 2 349.478 2.936 20 30 EFEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC000570325289 478334277 /nfs/dbraw/zinc/33/42/77/478334277.db2.gz GKBYIHLTFPJBSC-QGZVFWFLSA-N 2 2 349.438 2.848 20 30 EFEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC000570325289 478334279 /nfs/dbraw/zinc/33/42/79/478334279.db2.gz GKBYIHLTFPJBSC-QGZVFWFLSA-N 2 2 349.438 2.848 20 30 EFEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000594498689 478412461 /nfs/dbraw/zinc/41/24/61/478412461.db2.gz SSWAQBOGZSNSMF-LJQANCHMSA-N 2 2 325.456 2.780 20 30 EFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594521379 478424614 /nfs/dbraw/zinc/42/46/14/478424614.db2.gz QIMDHWCSVBTRCY-UYAOXDASSA-N 2 2 325.456 2.779 20 30 EFEDLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)ccc1C#N ZINC000594738077 478521818 /nfs/dbraw/zinc/52/18/18/478521818.db2.gz GAHOUKQTTVQPHC-RTBURBONSA-N 2 2 339.414 2.941 20 30 EFEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000591763870 478623427 /nfs/dbraw/zinc/62/34/27/478623427.db2.gz ORXNRIHTJOBHBL-TZIWHRDSSA-N 2 2 335.451 2.628 20 30 EFEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000591763870 478623435 /nfs/dbraw/zinc/62/34/35/478623435.db2.gz ORXNRIHTJOBHBL-TZIWHRDSSA-N 2 2 335.451 2.628 20 30 EFEDLP CC(C)(CCC#N)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000601125747 478672823 /nfs/dbraw/zinc/67/28/23/478672823.db2.gz UNCFCTHZQSTWKD-UHFFFAOYSA-N 2 2 345.487 2.817 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)CC1 ZINC000598634256 478935808 /nfs/dbraw/zinc/93/58/08/478935808.db2.gz PPINNNCKLVDTBA-UHFFFAOYSA-N 2 2 345.487 2.741 20 30 EFEDLP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000598991219 479117558 /nfs/dbraw/zinc/11/75/58/479117558.db2.gz MBYLBLUOSSIBNI-HXUWFJFHSA-N 2 2 329.488 2.909 20 30 EFEDLP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994308 479119745 /nfs/dbraw/zinc/11/97/45/479119745.db2.gz JLLXRVKOZJAQGF-FQEVSTJZSA-N 3 2 340.515 2.844 20 30 EFEDLP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994308 479119752 /nfs/dbraw/zinc/11/97/52/479119752.db2.gz JLLXRVKOZJAQGF-FQEVSTJZSA-N 3 2 340.515 2.844 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000602021198 479141618 /nfs/dbraw/zinc/14/16/18/479141618.db2.gz OLQNDWAMYWEHAI-UAPYVXQJSA-N 3 2 326.488 2.630 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(OC(F)F)c1 ZINC000610762515 479180629 /nfs/dbraw/zinc/18/06/29/479180629.db2.gz UNWAJCCHRGBGKI-UHFFFAOYSA-N 2 2 344.365 2.877 20 30 EFEDLP CC[N@H+](CCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000593181967 479225477 /nfs/dbraw/zinc/22/54/77/479225477.db2.gz QLHZEDHFMKUMHT-IBGZPJMESA-N 2 2 342.487 2.719 20 30 EFEDLP CC[N@@H+](CCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000593181967 479225482 /nfs/dbraw/zinc/22/54/82/479225482.db2.gz QLHZEDHFMKUMHT-IBGZPJMESA-N 2 2 342.487 2.719 20 30 EFEDLP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000556914332 479238217 /nfs/dbraw/zinc/23/82/17/479238217.db2.gz ZTTGVZZDNLENEU-FQEVSTJZSA-N 2 2 349.482 2.997 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000574440830 479286693 /nfs/dbraw/zinc/28/66/93/479286693.db2.gz GCXYVAZQOSQJPE-GOSISDBHSA-N 3 2 326.488 2.502 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000593323322 479294653 /nfs/dbraw/zinc/29/46/53/479294653.db2.gz UFVXQVPTTXDQCT-SFHLNBCPSA-N 3 2 338.499 2.500 20 30 EFEDLP CC1(C)C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000611182945 479305641 /nfs/dbraw/zinc/30/56/41/479305641.db2.gz DCKKYGJKLZVYKO-LJQANCHMSA-N 2 2 326.488 2.617 20 30 EFEDLP CC1(C)C[C@@H]([NH2+]C2CCN(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000611182945 479305647 /nfs/dbraw/zinc/30/56/47/479305647.db2.gz DCKKYGJKLZVYKO-LJQANCHMSA-N 2 2 326.488 2.617 20 30 EFEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390166 479365560 /nfs/dbraw/zinc/36/55/60/479365560.db2.gz HCURYKYDLXGGAB-AZUAARDMSA-N 2 2 327.472 2.882 20 30 EFEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390166 479365569 /nfs/dbraw/zinc/36/55/69/479365569.db2.gz HCURYKYDLXGGAB-AZUAARDMSA-N 2 2 327.472 2.882 20 30 EFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000602505230 479371513 /nfs/dbraw/zinc/37/15/13/479371513.db2.gz VVCRFGCLTMKXPQ-IEBWSBKVSA-N 2 2 329.488 2.848 20 30 EFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602545557 479390961 /nfs/dbraw/zinc/39/09/61/479390961.db2.gz FONQNTUIZYQVNA-INIZCTEOSA-N 2 2 337.508 2.564 20 30 EFEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517431 479399425 /nfs/dbraw/zinc/39/94/25/479399425.db2.gz VTYLJPAWNSOXDO-IBGZPJMESA-N 2 2 330.472 2.984 20 30 EFEDLP CCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593703221 479429789 /nfs/dbraw/zinc/42/97/89/479429789.db2.gz QXLHHYUGSOTOHY-UHFFFAOYSA-N 3 2 340.515 2.987 20 30 EFEDLP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593721435 479434483 /nfs/dbraw/zinc/43/44/83/479434483.db2.gz LZYJHNHLMGDTRS-FQEVSTJZSA-N 2 2 349.482 2.997 20 30 EFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCC3CCOCC3)CC2)c1 ZINC000602707005 479492494 /nfs/dbraw/zinc/49/24/94/479492494.db2.gz SDRXUQVKITUMKJ-UHFFFAOYSA-N 2 2 327.472 2.929 20 30 EFEDLP N#CC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602710809 479495018 /nfs/dbraw/zinc/49/50/18/479495018.db2.gz XZXIYXDGFFDTRH-GOSISDBHSA-N 2 2 343.471 2.523 20 30 EFEDLP N#CC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602710809 479495021 /nfs/dbraw/zinc/49/50/21/479495021.db2.gz XZXIYXDGFFDTRH-GOSISDBHSA-N 2 2 343.471 2.523 20 30 EFEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000589735477 479563968 /nfs/dbraw/zinc/56/39/68/479563968.db2.gz AAZNAGRUAADNSS-UHFFFAOYSA-N 2 2 349.862 2.719 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@](C)(C#N)C3)c2cc1C ZINC000612164785 479604364 /nfs/dbraw/zinc/60/43/64/479604364.db2.gz JCEVMSVRSDWESY-QFBILLFUSA-N 2 2 326.444 2.640 20 30 EFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@](C)(C#N)C3)c2cc1C ZINC000612164785 479604370 /nfs/dbraw/zinc/60/43/70/479604370.db2.gz JCEVMSVRSDWESY-QFBILLFUSA-N 2 2 326.444 2.640 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000610368872 480291377 /nfs/dbraw/zinc/29/13/77/480291377.db2.gz YDXHPARWQOVBNV-MRXNPFEDSA-N 2 2 334.383 2.642 20 30 EFEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000610368872 480291381 /nfs/dbraw/zinc/29/13/81/480291381.db2.gz YDXHPARWQOVBNV-MRXNPFEDSA-N 2 2 334.383 2.642 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)nn1 ZINC000639274846 481085640 /nfs/dbraw/zinc/08/56/40/481085640.db2.gz KUWKEEJDTYHYKC-PXNSSMCTSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)nn1 ZINC000639274846 481085653 /nfs/dbraw/zinc/08/56/53/481085653.db2.gz KUWKEEJDTYHYKC-PXNSSMCTSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)nn1 ZINC000639274848 481087204 /nfs/dbraw/zinc/08/72/04/481087204.db2.gz KUWKEEJDTYHYKC-YLJYHZDGSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)nn1 ZINC000639274848 481087212 /nfs/dbraw/zinc/08/72/12/481087212.db2.gz KUWKEEJDTYHYKC-YLJYHZDGSA-N 2 2 337.471 2.922 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647938660 481198064 /nfs/dbraw/zinc/19/80/64/481198064.db2.gz RGDNXGCSTGMJMR-UXLLHSPISA-N 2 2 335.517 2.710 20 30 EFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647938660 481198073 /nfs/dbraw/zinc/19/80/73/481198073.db2.gz RGDNXGCSTGMJMR-UXLLHSPISA-N 2 2 335.517 2.710 20 30 EFEDLP C=CCCn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1 ZINC000653493049 481281457 /nfs/dbraw/zinc/28/14/57/481281457.db2.gz IJYWZVCTPVHLLZ-UHFFFAOYSA-N 2 2 331.508 2.942 20 30 EFEDLP C=CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000661754897 481289898 /nfs/dbraw/zinc/28/98/98/481289898.db2.gz GAJAHSDFQVHIGV-UHFFFAOYSA-N 2 2 345.487 2.744 20 30 EFEDLP C=CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000661754897 481289903 /nfs/dbraw/zinc/28/99/03/481289903.db2.gz GAJAHSDFQVHIGV-UHFFFAOYSA-N 2 2 345.487 2.744 20 30 EFEDLP C=CCC1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000661848677 481361549 /nfs/dbraw/zinc/36/15/49/481361549.db2.gz NFLIHDKWEXQGOF-UHFFFAOYSA-N 2 2 342.487 2.599 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000653620697 481368002 /nfs/dbraw/zinc/36/80/02/481368002.db2.gz VPKPNXMBTRAYRS-XLIONFOSSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000653620697 481368010 /nfs/dbraw/zinc/36/80/10/481368010.db2.gz VPKPNXMBTRAYRS-XLIONFOSSA-N 2 2 339.487 2.854 20 30 EFEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648934464 481842227 /nfs/dbraw/zinc/84/22/27/481842227.db2.gz CEGDDYAACVQFEB-GOSISDBHSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000648934464 481842234 /nfs/dbraw/zinc/84/22/34/481842234.db2.gz CEGDDYAACVQFEB-GOSISDBHSA-N 2 2 333.520 2.750 20 30 EFEDLP C=CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239018 482386923 /nfs/dbraw/zinc/38/69/23/482386923.db2.gz BUVQQFPSVZIIBH-QUCCMNQESA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239018 482386927 /nfs/dbraw/zinc/38/69/27/482386927.db2.gz BUVQQFPSVZIIBH-QUCCMNQESA-N 2 2 332.488 2.800 20 30 EFEDLP C=CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](C)COC ZINC000661239018 482386934 /nfs/dbraw/zinc/38/69/34/482386934.db2.gz BUVQQFPSVZIIBH-QUCCMNQESA-N 2 2 332.488 2.800 20 30 EFEDLP C=C1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000264487441 534464462 /nfs/dbraw/zinc/46/44/62/534464462.db2.gz RVWSRHVZUBGTBF-UHFFFAOYSA-N 2 2 345.512 2.826 20 30 EFEDLP C=CCC1(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CCC1 ZINC000422026249 534583109 /nfs/dbraw/zinc/58/31/09/534583109.db2.gz UKUGVGQYGFHSGO-UHFFFAOYSA-N 2 2 333.520 2.751 20 30 EFEDLP C=CCC1(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CCC1 ZINC000422026249 534583116 /nfs/dbraw/zinc/58/31/16/534583116.db2.gz UKUGVGQYGFHSGO-UHFFFAOYSA-N 2 2 333.520 2.751 20 30 EFEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000154008169 524578224 /nfs/dbraw/zinc/57/82/24/524578224.db2.gz APMMVDWCDMDHFC-IAGOWNOFSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000154007965 524656122 /nfs/dbraw/zinc/65/61/22/524656122.db2.gz APMMVDWCDMDHFC-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000154007965 524656128 /nfs/dbraw/zinc/65/61/28/524656128.db2.gz APMMVDWCDMDHFC-CALCHBBNSA-N 2 2 344.478 2.688 20 30 EFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367708200 534883511 /nfs/dbraw/zinc/88/35/11/534883511.db2.gz UBVDOLHBNXBDKL-INIZCTEOSA-N 2 2 327.428 2.983 20 30 EFEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367708200 534883512 /nfs/dbraw/zinc/88/35/12/534883512.db2.gz UBVDOLHBNXBDKL-INIZCTEOSA-N 2 2 327.428 2.983 20 30 EFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000177905855 526453258 /nfs/dbraw/zinc/45/32/58/526453258.db2.gz WTAGFECLDLZSIA-HNNXBMFYSA-N 2 2 329.444 2.944 20 30 EFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000153048361 526606168 /nfs/dbraw/zinc/60/61/68/526606168.db2.gz NLVRUCZQQCILQL-OAHLLOKOSA-N 2 2 336.501 2.781 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000172655153 527130420 /nfs/dbraw/zinc/13/04/20/527130420.db2.gz VCRUSOZDVZGKIY-GOSISDBHSA-N 2 2 344.503 2.797 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000172655153 527130423 /nfs/dbraw/zinc/13/04/23/527130423.db2.gz VCRUSOZDVZGKIY-GOSISDBHSA-N 2 2 344.503 2.797 20 30 EFEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000172246805 527581913 /nfs/dbraw/zinc/58/19/13/527581913.db2.gz ZSEOTFSVRAEHHA-UHFFFAOYSA-N 2 2 347.478 2.803 20 30 EFEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000172246805 527581920 /nfs/dbraw/zinc/58/19/20/527581920.db2.gz ZSEOTFSVRAEHHA-UHFFFAOYSA-N 2 2 347.478 2.803 20 30 EFEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884365 527838219 /nfs/dbraw/zinc/83/82/19/527838219.db2.gz QAAQHSVKWGKDSL-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884365 527838220 /nfs/dbraw/zinc/83/82/20/527838220.db2.gz QAAQHSVKWGKDSL-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884365 527838225 /nfs/dbraw/zinc/83/82/25/527838225.db2.gz QAAQHSVKWGKDSL-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000173884365 527838229 /nfs/dbraw/zinc/83/82/29/527838229.db2.gz QAAQHSVKWGKDSL-AGYKMIKPSA-N 2 2 348.535 2.579 20 30 EFEDLP CC[NH+]=C(NCc1c(C)noc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159971769 528817650 /nfs/dbraw/zinc/81/76/50/528817650.db2.gz RWSXKCFSJLIISZ-SUMWQHHRSA-N 2 2 344.463 2.537 20 30 EFEDLP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181839645 528936636 /nfs/dbraw/zinc/93/66/36/528936636.db2.gz BKDUZSYYVSDVEL-SFHVURJKSA-N 2 2 329.488 2.911 20 30 EFEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000261858277 535261641 /nfs/dbraw/zinc/26/16/41/535261641.db2.gz YDFDQKDAFCCRAG-RCCFBDPRSA-N 2 2 344.503 2.691 20 30 EFEDLP CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262624989 535337933 /nfs/dbraw/zinc/33/79/33/535337933.db2.gz DIAAIVXZJBPHDJ-WMZOPIPTSA-N 2 2 343.475 2.956 20 30 EFEDLP CCCc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)co1 ZINC000328815012 535467594 /nfs/dbraw/zinc/46/75/94/535467594.db2.gz PJHBWXUCRZRYAD-UHFFFAOYSA-N 2 2 348.491 2.882 20 30 EFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778737 536380925 /nfs/dbraw/zinc/38/09/25/536380925.db2.gz LWUOCKUGUXZQOF-GOSISDBHSA-N 2 2 330.432 2.606 20 30 EFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778737 536380929 /nfs/dbraw/zinc/38/09/29/536380929.db2.gz LWUOCKUGUXZQOF-GOSISDBHSA-N 2 2 330.432 2.606 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778737 536380933 /nfs/dbraw/zinc/38/09/33/536380933.db2.gz LWUOCKUGUXZQOF-GOSISDBHSA-N 2 2 330.432 2.606 20 30 EFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C2)C1 ZINC000328778737 536380935 /nfs/dbraw/zinc/38/09/35/536380935.db2.gz LWUOCKUGUXZQOF-GOSISDBHSA-N 2 2 330.432 2.606 20 30 EFEDLP COc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000303865680 536655430 /nfs/dbraw/zinc/65/54/30/536655430.db2.gz BSTUFFGWHCOYKD-UHFFFAOYSA-N 2 2 339.374 2.947 20 30 EFEDLP COc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)[NH+](C)C)cc1OC ZINC000264058970 536907359 /nfs/dbraw/zinc/90/73/59/536907359.db2.gz BZKRZLGGCGGANB-INIZCTEOSA-N 2 2 342.443 2.733 20 30 EFEDLP C=CCN(CC=C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655688414 546534231 /nfs/dbraw/zinc/53/42/31/546534231.db2.gz ZYYKKIKMUJAHBN-WOJBJXKFSA-N 2 2 335.536 2.528 20 30 EFEDLP C=CCCn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)nn1 ZINC000657329072 547112817 /nfs/dbraw/zinc/11/28/17/547112817.db2.gz JAUOJDIFHUIKRF-UHFFFAOYSA-N 2 2 340.406 2.777 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000657338241 547117831 /nfs/dbraw/zinc/11/78/31/547117831.db2.gz KKBLAZIUVKRYFZ-INIZCTEOSA-N 2 2 345.516 2.918 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000657338241 547117834 /nfs/dbraw/zinc/11/78/34/547117834.db2.gz KKBLAZIUVKRYFZ-INIZCTEOSA-N 2 2 345.516 2.918 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nn1 ZINC000657354652 547127781 /nfs/dbraw/zinc/12/77/81/547127781.db2.gz UNJQRRBGZJNIIR-LJQANCHMSA-N 2 2 339.487 2.508 20 30 EFEDLP C=CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nn1 ZINC000657354652 547127785 /nfs/dbraw/zinc/12/77/85/547127785.db2.gz UNJQRRBGZJNIIR-LJQANCHMSA-N 2 2 339.487 2.508 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389229 547141701 /nfs/dbraw/zinc/14/17/01/547141701.db2.gz TWLSJFOTZSXBSV-HKUYNNGSSA-N 2 2 339.487 2.997 20 30 EFEDLP C=CCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389229 547141705 /nfs/dbraw/zinc/14/17/05/547141705.db2.gz TWLSJFOTZSXBSV-HKUYNNGSSA-N 2 2 339.487 2.997 20 30 EFEDLP Cc1noc(C)c1[C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c1c(C)noc1C ZINC000671242920 547547912 /nfs/dbraw/zinc/54/79/12/547547912.db2.gz VEMVIYCIMJXXTG-VXGBXAGGSA-N 2 2 330.432 2.901 20 30 EFEDLP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478388 548711251 /nfs/dbraw/zinc/71/12/51/548711251.db2.gz WKUKDFLYDFUPQE-UXHICEINSA-N 2 2 340.515 2.718 20 30 EFEDLP CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478388 548711254 /nfs/dbraw/zinc/71/12/54/548711254.db2.gz WKUKDFLYDFUPQE-UXHICEINSA-N 2 2 340.515 2.718 20 30 EFEDLP CCN(CC)c1ccc(C=[NH+]NC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1F ZINC000753937223 575362885 /nfs/dbraw/zinc/36/28/85/575362885.db2.gz WXBFLBFNXYVECZ-HZPDHXFCSA-N 2 2 331.439 2.866 20 30 EFEDLP C(=[NH+]NC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(N2CCCCC2)cc1 ZINC000753941654 575363841 /nfs/dbraw/zinc/36/38/41/575363841.db2.gz ZWFOULIYYRDVCO-ROUUACIJSA-N 2 2 325.460 2.871 20 30 EFEDLP C(=[NH+]NC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(N2CCCCC2)cc1 ZINC000753941652 575363867 /nfs/dbraw/zinc/36/38/67/575363867.db2.gz ZWFOULIYYRDVCO-HDICACEKSA-N 2 2 325.460 2.871 20 30 EFEDLP CCCCCC[C@H](C)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755753204 575628186 /nfs/dbraw/zinc/62/81/86/575628186.db2.gz IXJPHOQQPWPXHC-INIZCTEOSA-N 2 2 332.496 2.511 20 30 EFEDLP Cc1ccn(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(=O)c1C#N ZINC000758202986 575862928 /nfs/dbraw/zinc/86/29/28/575862928.db2.gz BSGVFCUHCPVHGG-UHFFFAOYSA-N 2 2 342.487 2.574 20 30 EFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761839978 576218298 /nfs/dbraw/zinc/21/82/98/576218298.db2.gz WWNDHGIJKJXNNH-OAHLLOKOSA-N 2 2 347.426 2.582 20 30 EFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761839978 576218300 /nfs/dbraw/zinc/21/83/00/576218300.db2.gz WWNDHGIJKJXNNH-OAHLLOKOSA-N 2 2 347.426 2.582 20 30 EFEDLP N#Cc1ccc([C@@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000763230099 576368359 /nfs/dbraw/zinc/36/83/59/576368359.db2.gz FMMVQPSUCMKQNI-SFHVURJKSA-N 2 2 345.512 2.543 20 30 EFEDLP N#Cc1ccc([C@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000763230097 576368418 /nfs/dbraw/zinc/36/84/18/576368418.db2.gz FMMVQPSUCMKQNI-GOSISDBHSA-N 2 2 345.512 2.543 20 30 EFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000764626049 576481088 /nfs/dbraw/zinc/48/10/88/576481088.db2.gz OLQNEXYDKKEIHT-FXAWDEMLSA-N 2 2 330.472 2.706 20 30 EFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000764626049 576481090 /nfs/dbraw/zinc/48/10/90/576481090.db2.gz OLQNEXYDKKEIHT-FXAWDEMLSA-N 2 2 330.472 2.706 20 30 EFEDLP C#CCOc1ccc(C[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)cc1 ZINC000768886161 577313949 /nfs/dbraw/zinc/31/39/49/577313949.db2.gz MPALYLBTSKKKNZ-UHFFFAOYSA-N 2 2 343.496 2.698 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001752310129 1249401945 /nfs/dbraw/zinc/40/19/45/1249401945.db2.gz JOJKFLXKLDRPFR-INIZCTEOSA-N 2 2 332.492 2.630 20 30 EFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3SCCS3)CC2)cc1 ZINC000850402282 1250466687 /nfs/dbraw/zinc/46/66/87/1250466687.db2.gz VGVMFPITAPSGMA-UHFFFAOYSA-N 2 2 333.526 2.918 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484341884 1252428442 /nfs/dbraw/zinc/42/84/42/1252428442.db2.gz DIFUSKPAWRKPEE-CHWSQXEVSA-N 2 2 332.835 2.756 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC000996038560 1254955283 /nfs/dbraw/zinc/95/52/83/1254955283.db2.gz JEDURKHIUUKHIZ-CQSZACIVSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1(C)C ZINC000996414790 1255292444 /nfs/dbraw/zinc/29/24/44/1255292444.db2.gz PYFKZIWCPOFRHF-QGZVFWFLSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573426 1256169004 /nfs/dbraw/zinc/16/90/04/1256169004.db2.gz AACRPASUYDQFIM-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573426 1256169011 /nfs/dbraw/zinc/16/90/11/1256169011.db2.gz AACRPASUYDQFIM-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573426 1256169015 /nfs/dbraw/zinc/16/90/15/1256169015.db2.gz AACRPASUYDQFIM-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573426 1256169027 /nfs/dbraw/zinc/16/90/27/1256169027.db2.gz AACRPASUYDQFIM-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574101 1256171008 /nfs/dbraw/zinc/17/10/08/1256171008.db2.gz NMEONJJSXBNJFI-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107574101 1256171019 /nfs/dbraw/zinc/17/10/19/1256171019.db2.gz NMEONJJSXBNJFI-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574101 1256171024 /nfs/dbraw/zinc/17/10/24/1256171024.db2.gz NMEONJJSXBNJFI-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107574101 1256171030 /nfs/dbraw/zinc/17/10/30/1256171030.db2.gz NMEONJJSXBNJFI-SZVBFZGTSA-N 2 2 330.476 2.525 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621349 1256319424 /nfs/dbraw/zinc/31/94/24/1256319424.db2.gz NHRADQOZIWJRBR-IEBWSBKVSA-N 2 2 330.476 2.588 20 30 EFEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000997239427 1257301474 /nfs/dbraw/zinc/30/14/74/1257301474.db2.gz WDZKAOBUVTZVSG-MRXNPFEDSA-N 2 2 327.472 2.860 20 30 EFEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000997243474 1257307539 /nfs/dbraw/zinc/30/75/39/1257307539.db2.gz JXLTWKGVYFVJHJ-MRXNPFEDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297947 1257367837 /nfs/dbraw/zinc/36/78/37/1257367837.db2.gz MDVSTSSSLPYHCY-GDBMZVCRSA-N 2 2 330.476 2.622 20 30 EFEDLP C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)Cn1cc[nH+]c1 ZINC000921608349 1257526858 /nfs/dbraw/zinc/52/68/58/1257526858.db2.gz FLDZSBDRYDHKMJ-GFCCVEGCSA-N 2 2 333.233 2.943 20 30 EFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997644546 1258159104 /nfs/dbraw/zinc/15/91/04/1258159104.db2.gz REQRDJQYKWXHFR-AWEZNQCLSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997649047 1258166935 /nfs/dbraw/zinc/16/69/35/1258166935.db2.gz NYNCZCSXKGWMNP-WMZOPIPTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998047582 1259023682 /nfs/dbraw/zinc/02/36/82/1259023682.db2.gz QPZDAGCFHVLORK-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998047582 1259023687 /nfs/dbraw/zinc/02/36/87/1259023687.db2.gz QPZDAGCFHVLORK-ZWKOTPCHSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000999153856 1260274314 /nfs/dbraw/zinc/27/43/14/1260274314.db2.gz RUQCDQIEIGWQMD-HNNXBMFYSA-N 2 2 332.835 2.589 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999824913 1260940661 /nfs/dbraw/zinc/94/06/61/1260940661.db2.gz ZIHIJRYPOOXFFS-MRXNPFEDSA-N 2 2 344.846 2.819 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001078681278 1262172249 /nfs/dbraw/zinc/17/22/49/1262172249.db2.gz XWEDPRWCEPYNME-LSDHHAIUSA-N 2 2 344.846 2.717 20 30 EFEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078768823 1262302771 /nfs/dbraw/zinc/30/27/71/1262302771.db2.gz WUUZYBUQMXOSFF-ROUUACIJSA-N 2 2 336.439 2.689 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185399 1262765758 /nfs/dbraw/zinc/76/57/58/1262765758.db2.gz AQWFLXYEPZINAL-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185399 1262765762 /nfs/dbraw/zinc/76/57/62/1262765762.db2.gz AQWFLXYEPZINAL-JKSUJKDBSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185396 1262765910 /nfs/dbraw/zinc/76/59/10/1262765910.db2.gz AQWFLXYEPZINAL-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185396 1262765912 /nfs/dbraw/zinc/76/59/12/1262765912.db2.gz AQWFLXYEPZINAL-HOTGVXAUSA-N 2 2 327.900 2.584 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000730105226 1264196585 /nfs/dbraw/zinc/19/65/85/1264196585.db2.gz CVZFJOZIHBZTKD-FQEVSTJZSA-N 2 2 339.483 2.955 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000730105226 1264196590 /nfs/dbraw/zinc/19/65/90/1264196590.db2.gz CVZFJOZIHBZTKD-FQEVSTJZSA-N 2 2 339.483 2.955 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101016 1265141942 /nfs/dbraw/zinc/14/19/42/1265141942.db2.gz POPQMECVKSUFIS-ZACQAIPSSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101016 1265141946 /nfs/dbraw/zinc/14/19/46/1265141946.db2.gz POPQMECVKSUFIS-ZACQAIPSSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101016 1265141949 /nfs/dbraw/zinc/14/19/49/1265141949.db2.gz POPQMECVKSUFIS-ZACQAIPSSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101016 1265141956 /nfs/dbraw/zinc/14/19/56/1265141956.db2.gz POPQMECVKSUFIS-ZACQAIPSSA-N 2 2 339.911 2.536 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cccc1-n1cccc1 ZINC001171067977 1278288394 /nfs/dbraw/zinc/28/83/94/1278288394.db2.gz RKLQSICDKZEEBR-HNNXBMFYSA-N 2 2 328.416 2.511 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004498250 1267166287 /nfs/dbraw/zinc/16/62/87/1267166287.db2.gz NVEBHDLBBHNZJD-GOSISDBHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004498250 1267166293 /nfs/dbraw/zinc/16/62/93/1267166293.db2.gz NVEBHDLBBHNZJD-GOSISDBHSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500445 1267185099 /nfs/dbraw/zinc/18/50/99/1267185099.db2.gz PCMQSEOQEMTMTN-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500445 1267185103 /nfs/dbraw/zinc/18/51/03/1267185103.db2.gz PCMQSEOQEMTMTN-IBGZPJMESA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004575931 1267314317 /nfs/dbraw/zinc/31/43/17/1267314317.db2.gz BENIAVFZWDQYEE-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004575931 1267314325 /nfs/dbraw/zinc/31/43/25/1267314325.db2.gz BENIAVFZWDQYEE-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004575931 1267314336 /nfs/dbraw/zinc/31/43/36/1267314336.db2.gz BENIAVFZWDQYEE-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004575931 1267314346 /nfs/dbraw/zinc/31/43/46/1267314346.db2.gz BENIAVFZWDQYEE-LPHOPBHVSA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597598 1267369703 /nfs/dbraw/zinc/36/97/03/1267369703.db2.gz SNGJXVWYCXJEAS-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597598 1267369716 /nfs/dbraw/zinc/36/97/16/1267369716.db2.gz SNGJXVWYCXJEAS-IBGZPJMESA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612025 1267401118 /nfs/dbraw/zinc/40/11/18/1267401118.db2.gz YCCFWSSJAGYNMY-IBGZPJMESA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612025 1267401121 /nfs/dbraw/zinc/40/11/21/1267401121.db2.gz YCCFWSSJAGYNMY-IBGZPJMESA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151603 1267452670 /nfs/dbraw/zinc/45/26/70/1267452670.db2.gz KHHHNVIVYBPUCG-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033151603 1267452675 /nfs/dbraw/zinc/45/26/75/1267452675.db2.gz KHHHNVIVYBPUCG-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033151603 1267452678 /nfs/dbraw/zinc/45/26/78/1267452678.db2.gz KHHHNVIVYBPUCG-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033151603 1267452681 /nfs/dbraw/zinc/45/26/81/1267452681.db2.gz KHHHNVIVYBPUCG-CVEARBPZSA-N 2 2 327.900 2.535 20 30 EFEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688352 1267719639 /nfs/dbraw/zinc/71/96/39/1267719639.db2.gz PTQSTUHWLOEMTC-HDICACEKSA-N 2 2 327.472 2.977 20 30 EFEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946688352 1267719642 /nfs/dbraw/zinc/71/96/42/1267719642.db2.gz PTQSTUHWLOEMTC-HDICACEKSA-N 2 2 327.472 2.977 20 30 EFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)[nH+]c(OC(F)F)c1 ZINC001171072267 1278354534 /nfs/dbraw/zinc/35/45/34/1278354534.db2.gz GBXJQZZEOHXLMP-ZDUSSCGKSA-N 2 2 343.374 2.630 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554145 1269445289 /nfs/dbraw/zinc/44/52/89/1269445289.db2.gz ONBRZLBMWOQODF-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554145 1269445296 /nfs/dbraw/zinc/44/52/96/1269445296.db2.gz ONBRZLBMWOQODF-LJQANCHMSA-N 2 2 338.455 2.985 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001113673323 1278491719 /nfs/dbraw/zinc/49/17/19/1278491719.db2.gz MCCHVGLXYZLBTF-MRXNPFEDSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001113673323 1278491733 /nfs/dbraw/zinc/49/17/33/1278491733.db2.gz MCCHVGLXYZLBTF-MRXNPFEDSA-N 2 2 347.528 2.605 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113683890 1278509927 /nfs/dbraw/zinc/50/99/27/1278509927.db2.gz ACGIPRGSEJRKCJ-PKOBYXMFSA-N 2 2 329.488 2.788 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001411116799 1271348336 /nfs/dbraw/zinc/34/83/36/1271348336.db2.gz WMRLLNIEGRKVTH-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001411116799 1271348348 /nfs/dbraw/zinc/34/83/48/1271348348.db2.gz WMRLLNIEGRKVTH-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001411116799 1271348357 /nfs/dbraw/zinc/34/83/57/1271348357.db2.gz WMRLLNIEGRKVTH-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001411116799 1271348365 /nfs/dbraw/zinc/34/83/65/1271348365.db2.gz WMRLLNIEGRKVTH-HUUCEWRRSA-N 2 2 329.916 2.686 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209360 1271359758 /nfs/dbraw/zinc/35/97/58/1271359758.db2.gz DECCQTIKUSIFPH-INIZCTEOSA-N 2 2 341.927 2.974 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209360 1271359764 /nfs/dbraw/zinc/35/97/64/1271359764.db2.gz DECCQTIKUSIFPH-INIZCTEOSA-N 2 2 341.927 2.974 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034250572 1271425771 /nfs/dbraw/zinc/42/57/71/1271425771.db2.gz VBIJLVWNGBTXSR-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034250572 1271425774 /nfs/dbraw/zinc/42/57/74/1271425774.db2.gz VBIJLVWNGBTXSR-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034250572 1271425776 /nfs/dbraw/zinc/42/57/76/1271425776.db2.gz VBIJLVWNGBTXSR-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034250572 1271425778 /nfs/dbraw/zinc/42/57/78/1271425778.db2.gz VBIJLVWNGBTXSR-UXHICEINSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034250251 1271426011 /nfs/dbraw/zinc/42/60/11/1271426011.db2.gz RIVUKCLDSMNQOF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034250251 1271426014 /nfs/dbraw/zinc/42/60/14/1271426014.db2.gz RIVUKCLDSMNQOF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034250251 1271426020 /nfs/dbraw/zinc/42/60/20/1271426020.db2.gz RIVUKCLDSMNQOF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034250251 1271426026 /nfs/dbraw/zinc/42/60/26/1271426026.db2.gz RIVUKCLDSMNQOF-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005638824 1272651167 /nfs/dbraw/zinc/65/11/67/1272651167.db2.gz LSFZSHAOBFIWBY-UHFFFAOYSA-N 2 2 346.862 2.932 20 30 EFEDLP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108797917 1273490510 /nfs/dbraw/zinc/49/05/10/1273490510.db2.gz MXNJQRNYPWONFW-KSZLIROESA-N 2 2 344.503 2.678 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108800085 1273493969 /nfs/dbraw/zinc/49/39/69/1273493969.db2.gz ZJJRZYSOPKFOCY-XHSDSOJGSA-N 2 2 330.476 2.623 20 30 EFEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108836563 1273545351 /nfs/dbraw/zinc/54/53/51/1273545351.db2.gz XNLOSQBJAXYEQX-KSZLIROESA-N 2 2 330.476 2.599 20 30 EFEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c(C)c[nH+]c3c1)CC2 ZINC001035183950 1273750501 /nfs/dbraw/zinc/75/05/01/1273750501.db2.gz BAGJHGHEWHFADE-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c(C)c[nH+]c3c1)CC2 ZINC001035183950 1273750510 /nfs/dbraw/zinc/75/05/10/1273750510.db2.gz BAGJHGHEWHFADE-UHFFFAOYSA-N 2 2 338.455 2.757 20 30 EFEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231623 1273940630 /nfs/dbraw/zinc/94/06/30/1273940630.db2.gz PEXKZWUKXOREKQ-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231623 1273940634 /nfs/dbraw/zinc/94/06/34/1273940634.db2.gz PEXKZWUKXOREKQ-QGZVFWFLSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386084 1274222653 /nfs/dbraw/zinc/22/26/53/1274222653.db2.gz LLUWWTBIVSMFTI-SQNIBIBYSA-N 2 2 330.476 2.810 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386084 1274222667 /nfs/dbraw/zinc/22/26/67/1274222667.db2.gz LLUWWTBIVSMFTI-SQNIBIBYSA-N 2 2 330.476 2.810 20 30 EFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386084 1274222669 /nfs/dbraw/zinc/22/26/69/1274222669.db2.gz LLUWWTBIVSMFTI-SQNIBIBYSA-N 2 2 330.476 2.810 20 30 EFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386084 1274222684 /nfs/dbraw/zinc/22/26/84/1274222684.db2.gz LLUWWTBIVSMFTI-SQNIBIBYSA-N 2 2 330.476 2.810 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCCC ZINC001109414777 1274255294 /nfs/dbraw/zinc/25/52/94/1274255294.db2.gz KKLZZYFESIWISW-FYQPLNBISA-N 2 2 345.531 2.776 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCCC ZINC001109414777 1274255302 /nfs/dbraw/zinc/25/53/02/1274255302.db2.gz KKLZZYFESIWISW-FYQPLNBISA-N 2 2 345.531 2.776 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCCC ZINC001109414777 1274255311 /nfs/dbraw/zinc/25/53/11/1274255311.db2.gz KKLZZYFESIWISW-FYQPLNBISA-N 2 2 345.531 2.776 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCCCC ZINC001109414777 1274255316 /nfs/dbraw/zinc/25/53/16/1274255316.db2.gz KKLZZYFESIWISW-FYQPLNBISA-N 2 2 345.531 2.776 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433595 1274269519 /nfs/dbraw/zinc/26/95/19/1274269519.db2.gz UNAQTOQYJGFIKX-VSZNYVQBSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433595 1274269522 /nfs/dbraw/zinc/26/95/22/1274269522.db2.gz UNAQTOQYJGFIKX-VSZNYVQBSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035705786 1274384546 /nfs/dbraw/zinc/38/45/46/1274384546.db2.gz BQHWGRPKNKJITG-MRXNPFEDSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035705786 1274384555 /nfs/dbraw/zinc/38/45/55/1274384555.db2.gz BQHWGRPKNKJITG-MRXNPFEDSA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035835920 1274573321 /nfs/dbraw/zinc/57/33/21/1274573321.db2.gz WOXMCLPGAPGYBZ-UHFFFAOYSA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857852 1274737646 /nfs/dbraw/zinc/73/76/46/1274737646.db2.gz GUMLDNFOBQNHST-QZWWFDLISA-N 2 2 341.927 2.827 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109857852 1274737652 /nfs/dbraw/zinc/73/76/52/1274737652.db2.gz GUMLDNFOBQNHST-QZWWFDLISA-N 2 2 341.927 2.827 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001036033343 1274909013 /nfs/dbraw/zinc/90/90/13/1274909013.db2.gz MYWXSBWKXHFYEX-YOEHRIQHSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001036120879 1275080365 /nfs/dbraw/zinc/08/03/65/1275080365.db2.gz BCGWWIWKXPVJDK-APWZRJJASA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001036102766 1275097571 /nfs/dbraw/zinc/09/75/71/1275097571.db2.gz AJLJRIBQHAUDIF-OCCSQVGLSA-N 2 2 332.835 2.527 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563083 1275187048 /nfs/dbraw/zinc/18/70/48/1275187048.db2.gz DZYPXMJTFXXYMV-UWVAXJGDSA-N 2 2 344.503 2.536 20 30 EFEDLP N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000787676543 1275834901 /nfs/dbraw/zinc/83/49/01/1275834901.db2.gz ORDDYNFUPAAUOY-IBGZPJMESA-N 2 2 343.471 2.514 20 30 EFEDLP N#Cc1ccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000787676543 1275834922 /nfs/dbraw/zinc/83/49/22/1275834922.db2.gz ORDDYNFUPAAUOY-IBGZPJMESA-N 2 2 343.471 2.514 20 30 EFEDLP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136057514 1276374421 /nfs/dbraw/zinc/37/44/21/1276374421.db2.gz YZVKZKAWGBJSDO-DLBZAZTESA-N 2 2 334.508 2.972 20 30 EFEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817916706 1276375591 /nfs/dbraw/zinc/37/55/91/1276375591.db2.gz AOFNRXNZIJGCOK-XIRDDKMYSA-N 2 2 331.460 2.996 20 30 EFEDLP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817916694 1276375934 /nfs/dbraw/zinc/37/59/34/1276375934.db2.gz AOFNRXNZIJGCOK-BHYGNILZSA-N 2 2 331.460 2.996 20 30 EFEDLP C#CCOc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000817949157 1276395718 /nfs/dbraw/zinc/39/57/18/1276395718.db2.gz PARYZWFUBXFBKL-INIZCTEOSA-N 2 2 336.439 2.676 20 30 EFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995025 1276437314 /nfs/dbraw/zinc/43/73/14/1276437314.db2.gz OZUUTUWBISKNJJ-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170896450 1276502135 /nfs/dbraw/zinc/50/21/35/1276502135.db2.gz WWYHPJXJSOQHOD-KRWDZBQOSA-N 2 2 346.519 2.993 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896669 1276502189 /nfs/dbraw/zinc/50/21/89/1276502189.db2.gz ZARQCBUUHIJLSJ-MAUKXSAKSA-N 2 2 347.507 2.631 20 30 EFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896669 1276502192 /nfs/dbraw/zinc/50/21/92/1276502192.db2.gz ZARQCBUUHIJLSJ-MAUKXSAKSA-N 2 2 347.507 2.631 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001170896615 1276502397 /nfs/dbraw/zinc/50/23/97/1276502397.db2.gz YEJBIOCIMBJZNC-QAPCUYQASA-N 2 2 347.507 2.631 20 30 EFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001170896615 1276502400 /nfs/dbraw/zinc/50/24/00/1276502400.db2.gz YEJBIOCIMBJZNC-QAPCUYQASA-N 2 2 347.507 2.631 20 30 EFEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001113027282 1276583635 /nfs/dbraw/zinc/58/36/35/1276583635.db2.gz ADTQGWYMMGQATP-QGZVFWFLSA-N 2 2 332.492 2.560 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819024621 1276594428 /nfs/dbraw/zinc/59/44/28/1276594428.db2.gz TXPRDUDRPPIHFH-MRXNPFEDSA-N 2 2 328.378 2.979 20 30 EFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819024620 1276594728 /nfs/dbraw/zinc/59/47/28/1276594728.db2.gz TXPRDUDRPPIHFH-INIZCTEOSA-N 2 2 328.378 2.979 20 30 EFEDLP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2F)CC1 ZINC000819034296 1276595161 /nfs/dbraw/zinc/59/51/61/1276595161.db2.gz ZXXUPLLVCOQDNQ-KRWDZBQOSA-N 2 2 343.450 2.501 20 30 EFEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005982172 1277243555 /nfs/dbraw/zinc/24/35/55/1277243555.db2.gz XQNDSJKLERSUIH-MRXNPFEDSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCCCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001113391504 1277734178 /nfs/dbraw/zinc/73/41/78/1277734178.db2.gz HBRKBDIMWOLPEW-UHFFFAOYSA-N 2 2 332.492 2.897 20 30 EFEDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171232998 1280261630 /nfs/dbraw/zinc/26/16/30/1280261630.db2.gz YNQDWYFKXHZHOH-MRXNPFEDSA-N 2 2 336.439 2.715 20 30 EFEDLP Cc1cc(C#N)ccc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000846752997 1280479008 /nfs/dbraw/zinc/47/90/08/1280479008.db2.gz WZMDLQGWMNTHAY-UHFFFAOYSA-N 2 2 326.488 2.862 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503403 1287454371 /nfs/dbraw/zinc/45/43/71/1287454371.db2.gz OUNJMIQNTXVRRN-HUUCEWRRSA-N 2 2 326.872 2.851 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146562867 1280943649 /nfs/dbraw/zinc/94/36/49/1280943649.db2.gz RGQLCNJJCAUDPG-HZPDHXFCSA-N 2 2 349.544 2.945 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146562867 1280943663 /nfs/dbraw/zinc/94/36/63/1280943663.db2.gz RGQLCNJJCAUDPG-HZPDHXFCSA-N 2 2 349.544 2.945 20 30 EFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010698 1281382248 /nfs/dbraw/zinc/38/22/48/1281382248.db2.gz GQRWFYJFGBDMPZ-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001148010698 1281382259 /nfs/dbraw/zinc/38/22/59/1281382259.db2.gz GQRWFYJFGBDMPZ-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175631305 1287495492 /nfs/dbraw/zinc/49/54/92/1287495492.db2.gz YGLBOAKZFGLTGK-TZMCWYRMSA-N 2 2 326.872 2.605 20 30 EFEDLP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175631305 1287495496 /nfs/dbraw/zinc/49/54/96/1287495496.db2.gz YGLBOAKZFGLTGK-TZMCWYRMSA-N 2 2 326.872 2.605 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357365 1281527583 /nfs/dbraw/zinc/52/75/83/1281527583.db2.gz KWSSKLGPYYSVFS-IRXDYDNUSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148357365 1281527591 /nfs/dbraw/zinc/52/75/91/1281527591.db2.gz KWSSKLGPYYSVFS-IRXDYDNUSA-N 2 2 330.476 2.723 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604973 1281647315 /nfs/dbraw/zinc/64/73/15/1281647315.db2.gz MDIKGESGVOLTFS-OAHLLOKOSA-N 2 2 330.476 2.576 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604973 1281647323 /nfs/dbraw/zinc/64/73/23/1281647323.db2.gz MDIKGESGVOLTFS-OAHLLOKOSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001086927524 1281929002 /nfs/dbraw/zinc/92/90/02/1281929002.db2.gz DULUSFHVEPAFSR-GVDBMIGSSA-N 2 2 342.487 2.792 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001086927524 1281929009 /nfs/dbraw/zinc/92/90/09/1281929009.db2.gz DULUSFHVEPAFSR-GVDBMIGSSA-N 2 2 342.487 2.792 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086947888 1281988519 /nfs/dbraw/zinc/98/85/19/1281988519.db2.gz KAJKESCKHLKFRU-DLBZAZTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086947888 1281988524 /nfs/dbraw/zinc/98/85/24/1281988524.db2.gz KAJKESCKHLKFRU-DLBZAZTESA-N 2 2 344.503 2.867 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086953006 1282017942 /nfs/dbraw/zinc/01/79/42/1282017942.db2.gz WPEAFEQXDFJCNC-QGZVFWFLSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954424 1282020975 /nfs/dbraw/zinc/02/09/75/1282020975.db2.gz KSFJJRDQQVEJKT-OAHLLOKOSA-N 2 2 330.476 2.540 20 30 EFEDLP C#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000809604734 1282309915 /nfs/dbraw/zinc/30/99/15/1282309915.db2.gz ZEYUGNDEGJCWNX-UHFFFAOYSA-N 2 2 333.479 2.970 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056276 1282356316 /nfs/dbraw/zinc/35/63/16/1282356316.db2.gz BNBZYEPDHAMRNG-SCTDSRPQSA-N 2 2 330.476 2.581 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056276 1282356319 /nfs/dbraw/zinc/35/63/19/1282356319.db2.gz BNBZYEPDHAMRNG-SCTDSRPQSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097110 1287592666 /nfs/dbraw/zinc/59/26/66/1287592666.db2.gz HOBBOMCFVDZIKW-JKSUJKDBSA-N 2 2 326.444 2.935 20 30 EFEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098231 1287593567 /nfs/dbraw/zinc/59/35/67/1287593567.db2.gz VPUYLGKGBBIWIW-HZPDHXFCSA-N 2 2 326.444 2.935 20 30 EFEDLP C=CCCC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001132049523 1282848534 /nfs/dbraw/zinc/84/85/34/1282848534.db2.gz DBAPWOASUMEERG-DLBZAZTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001132049523 1282848543 /nfs/dbraw/zinc/84/85/43/1282848543.db2.gz DBAPWOASUMEERG-DLBZAZTESA-N 2 2 344.503 2.697 20 30 EFEDLP C=CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125612 1283006098 /nfs/dbraw/zinc/00/60/98/1283006098.db2.gz XNEXIRNZVVULAQ-IAGOWNOFSA-N 2 2 332.492 2.862 20 30 EFEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125612 1283006111 /nfs/dbraw/zinc/00/61/11/1283006111.db2.gz XNEXIRNZVVULAQ-IAGOWNOFSA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717486 1283221783 /nfs/dbraw/zinc/22/17/83/1283221783.db2.gz WNHXVBOAEGVWGV-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036717486 1283221793 /nfs/dbraw/zinc/22/17/93/1283221793.db2.gz WNHXVBOAEGVWGV-ZWKOTPCHSA-N 2 2 338.455 2.755 20 30 EFEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993117 1287638730 /nfs/dbraw/zinc/63/87/30/1287638730.db2.gz JAICPASHTXSOTL-QGZVFWFLSA-N 2 2 338.455 2.774 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748995 1283397010 /nfs/dbraw/zinc/39/70/10/1283397010.db2.gz PDBGGFFWIOBGIS-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748995 1283397021 /nfs/dbraw/zinc/39/70/21/1283397021.db2.gz PDBGGFFWIOBGIS-MSOLQXFVSA-N 2 2 344.503 2.816 20 30 EFEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175992891 1287638382 /nfs/dbraw/zinc/63/83/82/1287638382.db2.gz BHQKSFMLKPNLFR-QGZVFWFLSA-N 2 2 338.455 2.774 20 30 EFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001176001029 1287649322 /nfs/dbraw/zinc/64/93/22/1287649322.db2.gz YQMBOWQPGMIUGB-MRXNPFEDSA-N 2 2 341.459 2.722 20 30 EFEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171407883 1283763630 /nfs/dbraw/zinc/76/36/30/1283763630.db2.gz FSLPEAWBLZGJPR-ROUUACIJSA-N 2 2 332.492 2.758 20 30 EFEDLP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379792 1283841472 /nfs/dbraw/zinc/84/14/72/1283841472.db2.gz JJTQMTDBPYYFJO-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001093379792 1283841481 /nfs/dbraw/zinc/84/14/81/1283841481.db2.gz JJTQMTDBPYYFJO-IBGZPJMESA-N 2 2 342.487 2.621 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815652812 1287672109 /nfs/dbraw/zinc/67/21/09/1287672109.db2.gz VBHFWPFQBUFLCE-MRXNPFEDSA-N 2 2 349.906 2.782 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815652812 1287672111 /nfs/dbraw/zinc/67/21/11/1287672111.db2.gz VBHFWPFQBUFLCE-MRXNPFEDSA-N 2 2 349.906 2.782 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000815652720 1287672140 /nfs/dbraw/zinc/67/21/40/1287672140.db2.gz OXYLYEAUAPGSBP-LBPRGKRZSA-N 2 2 325.250 2.760 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000815652720 1287672141 /nfs/dbraw/zinc/67/21/41/1287672141.db2.gz OXYLYEAUAPGSBP-LBPRGKRZSA-N 2 2 325.250 2.760 20 30 EFEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132823432 1284334394 /nfs/dbraw/zinc/33/43/94/1284334394.db2.gz FWNNISQQHRFWEF-YOEHRIQHSA-N 2 2 326.444 2.517 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132825353 1284337778 /nfs/dbraw/zinc/33/77/78/1284337778.db2.gz YNPYTZKQCLCPRU-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036861120 1284380494 /nfs/dbraw/zinc/38/04/94/1284380494.db2.gz UDVHWLMTVGBJRQ-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC001036861120 1284380502 /nfs/dbraw/zinc/38/05/02/1284380502.db2.gz UDVHWLMTVGBJRQ-IEBWSBKVSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132925013 1284474064 /nfs/dbraw/zinc/47/40/64/1284474064.db2.gz SXLKIDUAYZFOHA-WMZOPIPTSA-N 2 2 345.487 2.673 20 30 EFEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132981874 1284566780 /nfs/dbraw/zinc/56/67/80/1284566780.db2.gz HASKNLSTYCSZDM-SJORKVTESA-N 2 2 340.471 2.988 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982173 1284568028 /nfs/dbraw/zinc/56/80/28/1284568028.db2.gz MIJXKKDNSMVAIE-HZPDHXFCSA-N 2 2 326.444 2.598 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132983400 1284570122 /nfs/dbraw/zinc/57/01/22/1284570122.db2.gz ZADVLKYPYJTEJL-UKRRQHHQSA-N 2 2 346.862 2.775 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194822 1284972275 /nfs/dbraw/zinc/97/22/75/1284972275.db2.gz LODKKSHBGQYPGD-IAGOWNOFSA-N 2 2 332.492 2.773 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133194821 1284972467 /nfs/dbraw/zinc/97/24/67/1284972467.db2.gz LODKKSHBGQYPGD-DLBZAZTESA-N 2 2 332.492 2.773 20 30 EFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133195018 1284973635 /nfs/dbraw/zinc/97/36/35/1284973635.db2.gz NYIUANHRNYOCAZ-IRXDYDNUSA-N 2 2 334.508 2.997 20 30 EFEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001133222957 1285007200 /nfs/dbraw/zinc/00/72/00/1285007200.db2.gz ZFLGTUREUNODOO-FUHWJXTLSA-N 2 2 338.455 2.746 20 30 EFEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001133222959 1285007715 /nfs/dbraw/zinc/00/77/15/1285007715.db2.gz ZFLGTUREUNODOO-WMZOPIPTSA-N 2 2 338.455 2.746 20 30 EFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCOc2ccc(F)cc2)cc1 ZINC000747838595 1285653937 /nfs/dbraw/zinc/65/39/37/1285653937.db2.gz GEJKIOAJCSIQSB-UHFFFAOYSA-N 2 2 345.418 2.993 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595785 1285667408 /nfs/dbraw/zinc/66/74/08/1285667408.db2.gz GNBIFTFQCPIWIP-IRXDYDNUSA-N 2 2 332.492 2.676 20 30 EFEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171597036 1285669147 /nfs/dbraw/zinc/66/91/47/1285669147.db2.gz UROCPSRZXKHBLL-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171607140 1285675553 /nfs/dbraw/zinc/67/55/53/1285675553.db2.gz ZLVNDTNYXCFLMQ-DLBZAZTESA-N 2 2 332.492 2.676 20 30 EFEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171941864 1285937857 /nfs/dbraw/zinc/93/78/57/1285937857.db2.gz DDQCXZHTUPTZDV-INIZCTEOSA-N 2 2 326.444 2.937 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172303642 1286088412 /nfs/dbraw/zinc/08/84/12/1286088412.db2.gz FVPINLSRVVBMNR-HNNXBMFYSA-N 2 2 347.422 2.780 20 30 EFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172303642 1286088421 /nfs/dbraw/zinc/08/84/21/1286088421.db2.gz FVPINLSRVVBMNR-HNNXBMFYSA-N 2 2 347.422 2.780 20 30 EFEDLP Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC001172308142 1286091921 /nfs/dbraw/zinc/09/19/21/1286091921.db2.gz UGDLSDNOAJAJNI-MRXNPFEDSA-N 2 2 335.455 2.718 20 30 EFEDLP C[C@H](CCCC#N)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001172497947 1286172518 /nfs/dbraw/zinc/17/25/18/1286172518.db2.gz HKZVFMIMRXIXGM-QGZVFWFLSA-N 2 2 328.460 2.835 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001094922979 1286182116 /nfs/dbraw/zinc/18/21/16/1286182116.db2.gz KWQXVSWRTYNXHV-JQHSSLGASA-N 2 2 338.455 2.802 20 30 EFEDLP CCCCCCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170995013 1289068374 /nfs/dbraw/zinc/06/83/74/1289068374.db2.gz VDXXKWCSYLXXAU-UHFFFAOYSA-N 2 2 343.475 2.947 20 30 EFEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403527 1286661042 /nfs/dbraw/zinc/66/10/42/1286661042.db2.gz PAFLURNZOJZYEU-CVEARBPZSA-N 2 2 332.492 2.601 20 30 EFEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769053 1288126307 /nfs/dbraw/zinc/12/63/07/1288126307.db2.gz CSTPZTKYNIFIDB-MJGOQNOKSA-N 2 2 346.519 2.915 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086756777 1288273284 /nfs/dbraw/zinc/27/32/84/1288273284.db2.gz RWGJGBRRNNXUHK-UONOGXRCSA-N 2 2 332.835 2.575 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086768523 1288369764 /nfs/dbraw/zinc/36/97/64/1288369764.db2.gz LGXGCDJDFFMDGW-FUHWJXTLSA-N 2 2 338.455 2.937 20 30 EFEDLP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001177372062 1288406756 /nfs/dbraw/zinc/40/67/56/1288406756.db2.gz PJNRAPSPROBIDL-UHFFFAOYSA-N 2 2 332.492 2.537 20 30 EFEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cncc(C#N)n3)cc2)CC1 ZINC000817117176 1288422386 /nfs/dbraw/zinc/42/23/86/1288422386.db2.gz HCBFFLMFADAZFT-UHFFFAOYSA-N 2 2 336.443 2.870 20 30 EFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177430886 1288436761 /nfs/dbraw/zinc/43/67/61/1288436761.db2.gz BCLRIWJRWAPTCV-GOSISDBHSA-N 2 2 344.503 2.856 20 30 EFEDLP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431223 1288437682 /nfs/dbraw/zinc/43/76/82/1288437682.db2.gz PHFYFAROPFIVIT-UHFFFAOYSA-N 2 2 338.883 2.703 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178865076 1288948416 /nfs/dbraw/zinc/94/84/16/1288948416.db2.gz OMHPWEYURVQBIV-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178870710 1288951469 /nfs/dbraw/zinc/95/14/69/1288951469.db2.gz FOHYLIFRDTXNEI-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178880150 1288956376 /nfs/dbraw/zinc/95/63/76/1288956376.db2.gz JBFZVFGUAFYOMY-KRWDZBQOSA-N 2 2 332.492 2.678 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179019349 1289006684 /nfs/dbraw/zinc/00/66/84/1289006684.db2.gz TXTKBWPHFNKVBZ-KSZLIROESA-N 2 2 346.519 2.995 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022623 1289009234 /nfs/dbraw/zinc/00/92/34/1289009234.db2.gz QAXVDHAKFNGCAF-SCTDSRPQSA-N 2 2 346.519 2.995 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022622 1289009489 /nfs/dbraw/zinc/00/94/89/1289009489.db2.gz QAXVDHAKFNGCAF-LNLFQRSKSA-N 2 2 346.519 2.995 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165837466 1312690388 /nfs/dbraw/zinc/69/03/88/1312690388.db2.gz VNCREEMGASSRFF-INIZCTEOSA-N 2 2 344.503 2.665 20 30 EFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165837466 1312690393 /nfs/dbraw/zinc/69/03/93/1312690393.db2.gz VNCREEMGASSRFF-INIZCTEOSA-N 2 2 344.503 2.665 20 30 EFEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001180386617 1289503906 /nfs/dbraw/zinc/50/39/06/1289503906.db2.gz GMCBOMWTTVVZQP-GOSISDBHSA-N 2 2 332.492 2.527 20 30 EFEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138097 1312736322 /nfs/dbraw/zinc/73/63/22/1312736322.db2.gz DFJADTNOXHPEEL-UHFFFAOYSA-N 2 2 332.835 2.577 20 30 EFEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820832 1289961692 /nfs/dbraw/zinc/96/16/92/1289961692.db2.gz VEFUZMNGWREHJA-WSTZPKSXSA-N 2 2 344.503 2.568 20 30 EFEDLP C=CCOCC[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166295534 1312757629 /nfs/dbraw/zinc/75/76/29/1312757629.db2.gz XXFVSIRKCCFCDN-UHFFFAOYSA-N 2 2 345.487 2.699 20 30 EFEDLP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322449 1312760972 /nfs/dbraw/zinc/76/09/72/1312760972.db2.gz DRXSCVFYASBBML-INIZCTEOSA-N 2 2 332.492 2.584 20 30 EFEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001183053239 1290294134 /nfs/dbraw/zinc/29/41/34/1290294134.db2.gz AJRKCVRWTPRXOI-OXQOHEQNSA-N 2 2 338.455 2.746 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001166423347 1312774942 /nfs/dbraw/zinc/77/49/42/1312774942.db2.gz ZPPQFPXTYOTBNU-UHFFFAOYSA-N 2 2 338.455 2.938 20 30 EFEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399860 1290455864 /nfs/dbraw/zinc/45/58/64/1290455864.db2.gz OYTGIMKUTAWRQG-QAPCUYQASA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399750 1290455916 /nfs/dbraw/zinc/45/59/16/1290455916.db2.gz NAWRZIGEVUIEAR-CRAIPNDOSA-N 2 2 340.471 2.907 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184653441 1290490399 /nfs/dbraw/zinc/49/03/99/1290490399.db2.gz RCLUBIZQDRLWMB-RDJZCZTQSA-N 2 2 332.492 2.577 20 30 EFEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184653892 1290490440 /nfs/dbraw/zinc/49/04/40/1290490440.db2.gz SRXZBGQCSYYWGQ-GJZGRUSLSA-N 2 2 326.444 2.827 20 30 EFEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184850054 1290525608 /nfs/dbraw/zinc/52/56/08/1290525608.db2.gz BFTHKDYMFRANPS-MAUKXSAKSA-N 2 2 327.472 2.718 20 30 EFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)s1)C2 ZINC001232843347 1312794151 /nfs/dbraw/zinc/79/41/51/1312794151.db2.gz WCGFONXJRHSXDS-LPHOPBHVSA-N 2 2 345.512 2.800 20 30 EFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)s1)C2 ZINC001232843347 1312794153 /nfs/dbraw/zinc/79/41/53/1312794153.db2.gz WCGFONXJRHSXDS-LPHOPBHVSA-N 2 2 345.512 2.800 20 30 EFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001232843347 1312794156 /nfs/dbraw/zinc/79/41/56/1312794156.db2.gz WCGFONXJRHSXDS-LPHOPBHVSA-N 2 2 345.512 2.800 20 30 EFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001232843347 1312794158 /nfs/dbraw/zinc/79/41/58/1312794158.db2.gz WCGFONXJRHSXDS-LPHOPBHVSA-N 2 2 345.512 2.800 20 30 EFEDLP CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875764819 1290643604 /nfs/dbraw/zinc/64/36/04/1290643604.db2.gz RJZXNVZNYQFZBT-SFHVURJKSA-N 2 2 338.540 2.767 20 30 EFEDLP CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875764819 1290643611 /nfs/dbraw/zinc/64/36/11/1290643611.db2.gz RJZXNVZNYQFZBT-SFHVURJKSA-N 2 2 338.540 2.767 20 30 EFEDLP CCCCCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875765545 1290644167 /nfs/dbraw/zinc/64/41/67/1290644167.db2.gz RNTSATKECMFSKH-UHFFFAOYSA-N 2 2 326.529 2.624 20 30 EFEDLP CCCCCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000875765545 1290644176 /nfs/dbraw/zinc/64/41/76/1290644176.db2.gz RNTSATKECMFSKH-UHFFFAOYSA-N 2 2 326.529 2.624 20 30 EFEDLP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501998 1290693174 /nfs/dbraw/zinc/69/31/74/1290693174.db2.gz KKGUPTKWIFBYNA-ROUUACIJSA-N 2 2 346.519 2.783 20 30 EFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001137116907 1291140224 /nfs/dbraw/zinc/14/02/24/1291140224.db2.gz VBYWSWKFGBEOLX-RTBURBONSA-N 2 2 348.450 2.548 20 30 EFEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000957289238 1291333810 /nfs/dbraw/zinc/33/38/10/1291333810.db2.gz VOXXRGIAYMMTCJ-FQEVSTJZSA-N 2 2 329.488 2.574 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795793973 1291450598 /nfs/dbraw/zinc/45/05/98/1291450598.db2.gz KWQCGMADYMIMPM-HBFSDRIKSA-N 2 2 325.456 2.779 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795793973 1291450601 /nfs/dbraw/zinc/45/06/01/1291450601.db2.gz KWQCGMADYMIMPM-HBFSDRIKSA-N 2 2 325.456 2.779 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795793975 1291450756 /nfs/dbraw/zinc/45/07/56/1291450756.db2.gz KWQCGMADYMIMPM-NSHGMRRFSA-N 2 2 325.456 2.779 20 30 EFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795793975 1291450761 /nfs/dbraw/zinc/45/07/61/1291450761.db2.gz KWQCGMADYMIMPM-NSHGMRRFSA-N 2 2 325.456 2.779 20 30 EFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586427 1291810579 /nfs/dbraw/zinc/81/05/79/1291810579.db2.gz JTJBPTJUUVEZFT-UHFFFAOYSA-N 2 2 330.476 2.554 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049463806 1312888396 /nfs/dbraw/zinc/88/83/96/1312888396.db2.gz JNBNPUKIFTVIOX-GVDBMIGSSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049463806 1312888400 /nfs/dbraw/zinc/88/84/00/1312888400.db2.gz JNBNPUKIFTVIOX-GVDBMIGSSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049463806 1312888404 /nfs/dbraw/zinc/88/84/04/1312888404.db2.gz JNBNPUKIFTVIOX-GVDBMIGSSA-N 2 2 339.911 2.677 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049463806 1312888408 /nfs/dbraw/zinc/88/84/08/1312888408.db2.gz JNBNPUKIFTVIOX-GVDBMIGSSA-N 2 2 339.911 2.677 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999764 1291963295 /nfs/dbraw/zinc/96/32/95/1291963295.db2.gz YXWFKJQDFABQHL-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999764 1291963297 /nfs/dbraw/zinc/96/32/97/1291963297.db2.gz YXWFKJQDFABQHL-PKOBYXMFSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190173757 1292039008 /nfs/dbraw/zinc/03/90/08/1292039008.db2.gz AFPHORLHJBAYRR-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190173757 1292039017 /nfs/dbraw/zinc/03/90/17/1292039017.db2.gz AFPHORLHJBAYRR-QGZVFWFLSA-N 2 2 326.444 2.755 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476049 1312903571 /nfs/dbraw/zinc/90/35/71/1312903571.db2.gz BOOJDYXVXDMXMM-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476049 1312903574 /nfs/dbraw/zinc/90/35/74/1312903574.db2.gz BOOJDYXVXDMXMM-MSOLQXFVSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478502 1312907179 /nfs/dbraw/zinc/90/71/79/1312907179.db2.gz PBIIZTWSGNABFU-QZTJIDSGSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478502 1312907182 /nfs/dbraw/zinc/90/71/82/1312907182.db2.gz PBIIZTWSGNABFU-QZTJIDSGSA-N 2 2 338.455 2.898 20 30 EFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480576 1292177396 /nfs/dbraw/zinc/17/73/96/1292177396.db2.gz CYFUGVYZCXOWDG-OKZBNKHCSA-N 2 2 330.476 2.551 20 30 EFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480576 1292177400 /nfs/dbraw/zinc/17/74/00/1292177400.db2.gz CYFUGVYZCXOWDG-OKZBNKHCSA-N 2 2 330.476 2.551 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754229 1292301756 /nfs/dbraw/zinc/30/17/56/1292301756.db2.gz GSWVVVGNJLVDTJ-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754229 1292301766 /nfs/dbraw/zinc/30/17/66/1292301766.db2.gz GSWVVVGNJLVDTJ-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754229 1292301770 /nfs/dbraw/zinc/30/17/70/1292301770.db2.gz GSWVVVGNJLVDTJ-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754229 1292301778 /nfs/dbraw/zinc/30/17/78/1292301778.db2.gz GSWVVVGNJLVDTJ-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001233384552 1312918945 /nfs/dbraw/zinc/91/89/45/1312918945.db2.gz ZLJZQHMXPBKWDW-CALCHBBNSA-N 2 2 339.464 2.889 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001233384552 1312918950 /nfs/dbraw/zinc/91/89/50/1312918950.db2.gz ZLJZQHMXPBKWDW-CALCHBBNSA-N 2 2 339.464 2.889 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001233384552 1312918953 /nfs/dbraw/zinc/91/89/53/1312918953.db2.gz ZLJZQHMXPBKWDW-CALCHBBNSA-N 2 2 339.464 2.889 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001233384552 1312918957 /nfs/dbraw/zinc/91/89/57/1312918957.db2.gz ZLJZQHMXPBKWDW-CALCHBBNSA-N 2 2 339.464 2.889 20 30 EFEDLP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900127 1292348157 /nfs/dbraw/zinc/34/81/57/1292348157.db2.gz OCMZRYQYACEUPC-SJORKVTESA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900127 1292348166 /nfs/dbraw/zinc/34/81/66/1292348166.db2.gz OCMZRYQYACEUPC-SJORKVTESA-N 2 2 332.492 2.814 20 30 EFEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001233386472 1312920608 /nfs/dbraw/zinc/92/06/08/1312920608.db2.gz VMGQLJSPQLHDCE-BGYRXZFFSA-N 2 2 333.435 2.828 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001233386472 1312920611 /nfs/dbraw/zinc/92/06/11/1312920611.db2.gz VMGQLJSPQLHDCE-BGYRXZFFSA-N 2 2 333.435 2.828 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001233386472 1312920614 /nfs/dbraw/zinc/92/06/14/1312920614.db2.gz VMGQLJSPQLHDCE-BGYRXZFFSA-N 2 2 333.435 2.828 20 30 EFEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001233386472 1312920617 /nfs/dbraw/zinc/92/06/17/1312920617.db2.gz VMGQLJSPQLHDCE-BGYRXZFFSA-N 2 2 333.435 2.828 20 30 EFEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001016682406 1312923003 /nfs/dbraw/zinc/92/30/03/1312923003.db2.gz QGEGESPSYGDGHE-KRWDZBQOSA-N 2 2 344.503 2.864 20 30 EFEDLP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203445106 1312926689 /nfs/dbraw/zinc/92/66/89/1312926689.db2.gz YYDOMHKIRZIGRW-IRXDYDNUSA-N 2 2 330.476 2.716 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544180 1312990124 /nfs/dbraw/zinc/99/01/24/1312990124.db2.gz BOPSGRCJKRGJHV-IRXDYDNUSA-N 2 2 330.476 2.568 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544180 1312990127 /nfs/dbraw/zinc/99/01/27/1312990127.db2.gz BOPSGRCJKRGJHV-IRXDYDNUSA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545902 1312993495 /nfs/dbraw/zinc/99/34/95/1312993495.db2.gz NTGPIQFGNIZRTF-IRXDYDNUSA-N 2 2 330.476 2.568 20 30 EFEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049545902 1312993500 /nfs/dbraw/zinc/99/35/00/1312993500.db2.gz NTGPIQFGNIZRTF-IRXDYDNUSA-N 2 2 330.476 2.568 20 30 EFEDLP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798201 1293444933 /nfs/dbraw/zinc/44/49/33/1293444933.db2.gz ZZLRGRSLSCGTTA-GOSISDBHSA-N 2 2 334.508 2.856 20 30 EFEDLP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193798201 1293444938 /nfs/dbraw/zinc/44/49/38/1293444938.db2.gz ZZLRGRSLSCGTTA-GOSISDBHSA-N 2 2 334.508 2.856 20 30 EFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000883131485 1293473613 /nfs/dbraw/zinc/47/36/13/1293473613.db2.gz DOGDKVRWEAXZHK-UHFFFAOYSA-N 2 2 330.863 2.785 20 30 EFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000883131485 1293473617 /nfs/dbraw/zinc/47/36/17/1293473617.db2.gz DOGDKVRWEAXZHK-UHFFFAOYSA-N 2 2 330.863 2.785 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815888 1313023132 /nfs/dbraw/zinc/02/31/32/1313023132.db2.gz RSDRQFRMKDRGAA-SJORKVTESA-N 2 2 332.492 2.871 20 30 EFEDLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903471 1313044662 /nfs/dbraw/zinc/04/46/62/1313044662.db2.gz VJTRYIGWXMLYQN-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903471 1313044666 /nfs/dbraw/zinc/04/46/66/1313044666.db2.gz VJTRYIGWXMLYQN-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903471 1313044670 /nfs/dbraw/zinc/04/46/70/1313044670.db2.gz VJTRYIGWXMLYQN-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001203903471 1313044673 /nfs/dbraw/zinc/04/46/73/1313044673.db2.gz VJTRYIGWXMLYQN-FQEVSTJZSA-N 2 2 327.472 2.881 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196333013 1294199932 /nfs/dbraw/zinc/19/99/32/1294199932.db2.gz UHYVNUKJDNYMBN-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196333013 1294199935 /nfs/dbraw/zinc/19/99/35/1294199935.db2.gz UHYVNUKJDNYMBN-GOSISDBHSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196333015 1294200926 /nfs/dbraw/zinc/20/09/26/1294200926.db2.gz UHYVNUKJDNYMBN-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196333015 1294200932 /nfs/dbraw/zinc/20/09/32/1294200932.db2.gz UHYVNUKJDNYMBN-SFHVURJKSA-N 2 2 344.503 2.726 20 30 EFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001276437093 1313070392 /nfs/dbraw/zinc/07/03/92/1313070392.db2.gz ZLFXBKXVXMTHOM-AYHJJNSGSA-N 2 2 346.906 2.858 20 30 EFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001276437093 1313070396 /nfs/dbraw/zinc/07/03/96/1313070396.db2.gz ZLFXBKXVXMTHOM-AYHJJNSGSA-N 2 2 346.906 2.858 20 30 EFEDLP CN(C)C(NCc1ccccc1)=[NH+]CCCCNc1cccc[nH+]1 ZINC000303980057 1294614012 /nfs/dbraw/zinc/61/40/12/1294614012.db2.gz NTUHVBMBBFUABX-UHFFFAOYSA-N 2 2 325.460 2.981 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625390 1313103275 /nfs/dbraw/zinc/10/32/75/1313103275.db2.gz HAUBHVXPRDCISQ-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625390 1313103278 /nfs/dbraw/zinc/10/32/78/1313103278.db2.gz HAUBHVXPRDCISQ-PMACEKPBSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625402 1313103425 /nfs/dbraw/zinc/10/34/25/1313103425.db2.gz HAUBHVXPRDCISQ-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049625402 1313103428 /nfs/dbraw/zinc/10/34/28/1313103428.db2.gz HAUBHVXPRDCISQ-VQTJNVASSA-N 2 2 348.450 2.575 20 30 EFEDLP N#Cc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204370536 1313131432 /nfs/dbraw/zinc/13/14/32/1313131432.db2.gz CFOBAMSAQHYSPI-RTWAWAEBSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204370536 1313131436 /nfs/dbraw/zinc/13/14/36/1313131436.db2.gz CFOBAMSAQHYSPI-RTWAWAEBSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204370536 1313131440 /nfs/dbraw/zinc/13/14/40/1313131440.db2.gz CFOBAMSAQHYSPI-RTWAWAEBSA-N 2 2 332.451 2.907 20 30 EFEDLP N#Cc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204370536 1313131443 /nfs/dbraw/zinc/13/14/43/1313131443.db2.gz CFOBAMSAQHYSPI-RTWAWAEBSA-N 2 2 332.451 2.907 20 30 EFEDLP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001275327085 1296259217 /nfs/dbraw/zinc/25/92/17/1296259217.db2.gz IGBJMUBEBHEROR-UHFFFAOYSA-N 2 2 344.478 2.547 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734093 1313235507 /nfs/dbraw/zinc/23/55/07/1313235507.db2.gz DCEFMWDQFIWROC-BDXSIMOUSA-N 2 2 342.487 2.555 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049734093 1313235512 /nfs/dbraw/zinc/23/55/12/1313235512.db2.gz DCEFMWDQFIWROC-BDXSIMOUSA-N 2 2 342.487 2.555 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC001205199188 1313249639 /nfs/dbraw/zinc/24/96/39/1313249639.db2.gz ZOFZIWVNFNNQAZ-UHFFFAOYSA-N 2 2 331.479 2.926 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049759633 1313268479 /nfs/dbraw/zinc/26/84/79/1313268479.db2.gz RBSVJRTVECGNRU-BZUAXINKSA-N 2 2 336.867 2.652 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049759633 1313268483 /nfs/dbraw/zinc/26/84/83/1313268483.db2.gz RBSVJRTVECGNRU-BZUAXINKSA-N 2 2 336.867 2.652 20 30 EFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(O)c1 ZINC001235253366 1313275486 /nfs/dbraw/zinc/27/54/86/1313275486.db2.gz HJGWSJMADXVLSK-TZIWHRDSSA-N 2 2 333.435 2.985 20 30 EFEDLP N#Cc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(O)c1 ZINC001235253366 1313275489 /nfs/dbraw/zinc/27/54/89/1313275489.db2.gz HJGWSJMADXVLSK-TZIWHRDSSA-N 2 2 333.435 2.985 20 30 EFEDLP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201301365 1296713697 /nfs/dbraw/zinc/71/36/97/1296713697.db2.gz YHOSHTPXVJOCSO-KRWDZBQOSA-N 2 2 346.519 2.997 20 30 EFEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500311 1313300629 /nfs/dbraw/zinc/30/06/29/1313300629.db2.gz QJEWZSNFBAEPCH-GOSISDBHSA-N 2 2 332.492 2.875 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001201335821 1296748915 /nfs/dbraw/zinc/74/89/15/1296748915.db2.gz KXNXCAANRVKQCD-HOCLYGCPSA-N 2 2 344.503 2.758 20 30 EFEDLP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001201335821 1296748926 /nfs/dbraw/zinc/74/89/26/1296748926.db2.gz KXNXCAANRVKQCD-HOCLYGCPSA-N 2 2 344.503 2.758 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001201335819 1296749287 /nfs/dbraw/zinc/74/92/87/1296749287.db2.gz KXNXCAANRVKQCD-GDBMZVCRSA-N 2 2 344.503 2.758 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001201335819 1296749298 /nfs/dbraw/zinc/74/92/98/1296749298.db2.gz KXNXCAANRVKQCD-GDBMZVCRSA-N 2 2 344.503 2.758 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553231 1313311499 /nfs/dbraw/zinc/31/14/99/1313311499.db2.gz QSRJTLZMDJHQIA-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555950 1313311517 /nfs/dbraw/zinc/31/15/17/1313311517.db2.gz HTYMCSHKRSCPQL-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806168 1313322868 /nfs/dbraw/zinc/32/28/68/1313322868.db2.gz MIRSEHHZQASRDG-SJORKVTESA-N 2 2 339.911 2.536 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806168 1313322872 /nfs/dbraw/zinc/32/28/72/1313322872.db2.gz MIRSEHHZQASRDG-SJORKVTESA-N 2 2 339.911 2.536 20 30 EFEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235466102 1313330011 /nfs/dbraw/zinc/33/00/11/1313330011.db2.gz IQKJTDQQDSWUQB-CTNGQTDRSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235466102 1313330014 /nfs/dbraw/zinc/33/00/14/1313330014.db2.gz IQKJTDQQDSWUQB-CTNGQTDRSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC001205661945 1313333222 /nfs/dbraw/zinc/33/32/22/1313333222.db2.gz OBBLUTPFPGOMDX-UHFFFAOYSA-N 2 2 331.479 2.926 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819286 1313339723 /nfs/dbraw/zinc/33/97/23/1313339723.db2.gz DQTUZDHCQKXMLV-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049819286 1313339727 /nfs/dbraw/zinc/33/97/27/1313339727.db2.gz DQTUZDHCQKXMLV-WOJBJXKFSA-N 2 2 348.450 2.575 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001235511763 1313339751 /nfs/dbraw/zinc/33/97/51/1313339751.db2.gz GUIVVIITDMPTPW-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001235511763 1313339754 /nfs/dbraw/zinc/33/97/54/1313339754.db2.gz GUIVVIITDMPTPW-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001235511763 1313339757 /nfs/dbraw/zinc/33/97/57/1313339757.db2.gz GUIVVIITDMPTPW-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001235511763 1313339760 /nfs/dbraw/zinc/33/97/60/1313339760.db2.gz GUIVVIITDMPTPW-BRWVUGGUSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001235511765 1313340733 /nfs/dbraw/zinc/34/07/33/1313340733.db2.gz GUIVVIITDMPTPW-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001235511765 1313340737 /nfs/dbraw/zinc/34/07/37/1313340737.db2.gz GUIVVIITDMPTPW-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001235511765 1313340740 /nfs/dbraw/zinc/34/07/40/1313340740.db2.gz GUIVVIITDMPTPW-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001235511765 1313340744 /nfs/dbraw/zinc/34/07/44/1313340744.db2.gz GUIVVIITDMPTPW-GVDBMIGSSA-N 2 2 330.476 2.792 20 30 EFEDLP N#CCc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001235515422 1313342192 /nfs/dbraw/zinc/34/21/92/1313342192.db2.gz UXHUHFPESAVIMB-BGYRXZFFSA-N 2 2 332.451 2.711 20 30 EFEDLP N#CCc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001235515422 1313342196 /nfs/dbraw/zinc/34/21/96/1313342196.db2.gz UXHUHFPESAVIMB-BGYRXZFFSA-N 2 2 332.451 2.711 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001235515422 1313342200 /nfs/dbraw/zinc/34/22/00/1313342200.db2.gz UXHUHFPESAVIMB-BGYRXZFFSA-N 2 2 332.451 2.711 20 30 EFEDLP N#CCc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001235515422 1313342203 /nfs/dbraw/zinc/34/22/03/1313342203.db2.gz UXHUHFPESAVIMB-BGYRXZFFSA-N 2 2 332.451 2.711 20 30 EFEDLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCCC#N)C3)n(C)n1 ZINC001277951003 1313343572 /nfs/dbraw/zinc/34/35/72/1313343572.db2.gz BODDQVDPKGAVDW-IBGZPJMESA-N 2 2 329.492 2.710 20 30 EFEDLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCCC#N)C3)n(C)n1 ZINC001277951003 1313343576 /nfs/dbraw/zinc/34/35/76/1313343576.db2.gz BODDQVDPKGAVDW-IBGZPJMESA-N 2 2 329.492 2.710 20 30 EFEDLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCCC#N)C3)n(C)n1 ZINC001277951003 1313343580 /nfs/dbraw/zinc/34/35/80/1313343580.db2.gz BODDQVDPKGAVDW-IBGZPJMESA-N 2 2 329.492 2.710 20 30 EFEDLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCCC#N)C3)n(C)n1 ZINC001277951003 1313343583 /nfs/dbraw/zinc/34/35/83/1313343583.db2.gz BODDQVDPKGAVDW-IBGZPJMESA-N 2 2 329.492 2.710 20 30 EFEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632339 1313362367 /nfs/dbraw/zinc/36/23/67/1313362367.db2.gz GLSONKHQEXQFQC-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632339 1313362371 /nfs/dbraw/zinc/36/23/71/1313362371.db2.gz GLSONKHQEXQFQC-ZWKOTPCHSA-N 2 2 332.492 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849036 1313384305 /nfs/dbraw/zinc/38/43/05/1313384305.db2.gz MTLOCQKOOJKILQ-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849036 1313384307 /nfs/dbraw/zinc/38/43/07/1313384307.db2.gz MTLOCQKOOJKILQ-CVEARBPZSA-N 2 2 330.476 2.719 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235800239 1313399071 /nfs/dbraw/zinc/39/90/71/1313399071.db2.gz ZCHLXDLUMYWWHZ-IAGOWNOFSA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235800239 1313399073 /nfs/dbraw/zinc/39/90/73/1313399073.db2.gz ZCHLXDLUMYWWHZ-IAGOWNOFSA-N 2 2 332.492 2.814 20 30 EFEDLP C=CCOc1ccc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)cc1 ZINC001235816308 1313403605 /nfs/dbraw/zinc/40/36/05/1313403605.db2.gz UMDHCOHBCLSLII-UHFFFAOYSA-N 2 2 329.488 2.511 20 30 EFEDLP C=CCOc1ccccc1CN1CC[NH+](C2(C)CC[NH2+]CC2)CC1 ZINC001235815710 1313403821 /nfs/dbraw/zinc/40/38/21/1313403821.db2.gz NPBVRCUECKBUOF-UHFFFAOYSA-N 2 2 329.488 2.511 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001017555688 1313412061 /nfs/dbraw/zinc/41/20/61/1313412061.db2.gz UJXIDKUALCOMPM-HDICACEKSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001017555688 1313412063 /nfs/dbraw/zinc/41/20/63/1313412063.db2.gz UJXIDKUALCOMPM-HDICACEKSA-N 2 2 338.455 2.898 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049909773 1313470969 /nfs/dbraw/zinc/47/09/69/1313470969.db2.gz CIDRYPIUYMUVBE-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049909773 1313470972 /nfs/dbraw/zinc/47/09/72/1313470972.db2.gz CIDRYPIUYMUVBE-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049909773 1313470975 /nfs/dbraw/zinc/47/09/75/1313470975.db2.gz CIDRYPIUYMUVBE-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049909773 1313470977 /nfs/dbraw/zinc/47/09/77/1313470977.db2.gz CIDRYPIUYMUVBE-BRWVUGGUSA-N 2 2 339.911 2.679 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171944 1298247037 /nfs/dbraw/zinc/24/70/37/1298247037.db2.gz VBLJSBVXHUIDPE-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171944 1298247044 /nfs/dbraw/zinc/24/70/44/1298247044.db2.gz VBLJSBVXHUIDPE-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961171944 1298247054 /nfs/dbraw/zinc/24/70/54/1298247054.db2.gz VBLJSBVXHUIDPE-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961171944 1298247062 /nfs/dbraw/zinc/24/70/62/1298247062.db2.gz VBLJSBVXHUIDPE-QZTJIDSGSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604741 1313508883 /nfs/dbraw/zinc/50/88/83/1313508883.db2.gz OPQBJCWCWFSCJZ-SQNIBIBYSA-N 2 2 347.890 2.836 20 30 EFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604741 1313508888 /nfs/dbraw/zinc/50/88/88/1313508888.db2.gz OPQBJCWCWFSCJZ-SQNIBIBYSA-N 2 2 347.890 2.836 20 30 EFEDLP C=CCCCCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905955 1313546554 /nfs/dbraw/zinc/54/65/54/1313546554.db2.gz WPYPYAKEHBSPHR-UHFFFAOYSA-N 2 2 346.519 2.927 20 30 EFEDLP C=CCN(CC[N@H+](C)CCC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001207206539 1313637233 /nfs/dbraw/zinc/63/72/33/1313637233.db2.gz VGXHGEINITUZKO-UHFFFAOYSA-N 2 2 325.497 2.827 20 30 EFEDLP C=CCN(CC[N@@H+](C)CCC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001207206539 1313637237 /nfs/dbraw/zinc/63/72/37/1313637237.db2.gz VGXHGEINITUZKO-UHFFFAOYSA-N 2 2 325.497 2.827 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299207 1300545121 /nfs/dbraw/zinc/54/51/21/1300545121.db2.gz RWUWUOCCQBTPDS-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299207 1300545124 /nfs/dbraw/zinc/54/51/24/1300545124.db2.gz RWUWUOCCQBTPDS-DLBZAZTESA-N 2 2 330.476 2.621 20 30 EFEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333263 1300621915 /nfs/dbraw/zinc/62/19/15/1300621915.db2.gz LKCGPUHGFYFCQY-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333263 1300621921 /nfs/dbraw/zinc/62/19/21/1300621921.db2.gz LKCGPUHGFYFCQY-IRXDYDNUSA-N 2 2 338.455 2.837 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336411 1300630009 /nfs/dbraw/zinc/63/00/09/1300630009.db2.gz FAWGYQFQOMRIEQ-MOPGFXCFSA-N 2 2 339.483 2.957 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000963336411 1300630010 /nfs/dbraw/zinc/63/00/10/1300630010.db2.gz FAWGYQFQOMRIEQ-MOPGFXCFSA-N 2 2 339.483 2.957 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339307 1300640187 /nfs/dbraw/zinc/64/01/87/1300640187.db2.gz GKXIFQPAOJZEOR-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339307 1300640202 /nfs/dbraw/zinc/64/02/02/1300640202.db2.gz GKXIFQPAOJZEOR-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963402180 1300773661 /nfs/dbraw/zinc/77/36/61/1300773661.db2.gz HYRLPJFOPXQLQB-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963402180 1300773668 /nfs/dbraw/zinc/77/36/68/1300773668.db2.gz HYRLPJFOPXQLQB-AEFFLSMTSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699535 1300781872 /nfs/dbraw/zinc/78/18/72/1300781872.db2.gz UNAQTOQYJGFIKX-BDXSIMOUSA-N 2 2 330.476 2.768 20 30 EFEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699535 1300781874 /nfs/dbraw/zinc/78/18/74/1300781874.db2.gz UNAQTOQYJGFIKX-BDXSIMOUSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699248 1300788003 /nfs/dbraw/zinc/78/80/03/1300788003.db2.gz INYQYIPRPGUPDA-BDXSIMOUSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699248 1300788011 /nfs/dbraw/zinc/78/80/11/1300788011.db2.gz INYQYIPRPGUPDA-BDXSIMOUSA-N 2 2 330.476 2.768 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000963580398 1301089013 /nfs/dbraw/zinc/08/90/13/1301089013.db2.gz AYAMDUXTCNPLGZ-GTPINHCMSA-N 2 2 344.503 2.758 20 30 EFEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000963580398 1301089021 /nfs/dbraw/zinc/08/90/21/1301089021.db2.gz AYAMDUXTCNPLGZ-GTPINHCMSA-N 2 2 344.503 2.758 20 30 EFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659491 1313743698 /nfs/dbraw/zinc/74/36/98/1313743698.db2.gz ZRBMZPVJEQVSKW-KZNAEPCWSA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659491 1313743700 /nfs/dbraw/zinc/74/37/00/1313743700.db2.gz ZRBMZPVJEQVSKW-KZNAEPCWSA-N 2 2 332.492 2.873 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc3c[nH+]cn31)CCO2 ZINC001238102484 1313760371 /nfs/dbraw/zinc/76/03/71/1313760371.db2.gz ACURTTKLOUYOAT-FXAWDEMLSA-N 2 2 341.455 2.908 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc3c[nH+]cn31)CCO2 ZINC001238102484 1313760375 /nfs/dbraw/zinc/76/03/75/1313760375.db2.gz ACURTTKLOUYOAT-FXAWDEMLSA-N 2 2 341.455 2.908 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761676 1313767539 /nfs/dbraw/zinc/76/75/39/1313767539.db2.gz MQHUVDGEFBEEOA-FGTMMUONSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207761676 1313767541 /nfs/dbraw/zinc/76/75/41/1313767541.db2.gz MQHUVDGEFBEEOA-FGTMMUONSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000964421843 1301811395 /nfs/dbraw/zinc/81/13/95/1301811395.db2.gz IHLVZTHOANZTPC-UHFFFAOYSA-N 2 2 347.528 2.651 20 30 EFEDLP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000964421843 1301811399 /nfs/dbraw/zinc/81/13/99/1301811399.db2.gz IHLVZTHOANZTPC-UHFFFAOYSA-N 2 2 347.528 2.651 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310338 1313805081 /nfs/dbraw/zinc/80/50/81/1313805081.db2.gz KUTUEBODEJSOTL-OTWHNJEPSA-N 2 2 327.472 2.541 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310338 1313805085 /nfs/dbraw/zinc/80/50/85/1313805085.db2.gz KUTUEBODEJSOTL-OTWHNJEPSA-N 2 2 327.472 2.541 20 30 EFEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018333834 1313818027 /nfs/dbraw/zinc/81/80/27/1313818027.db2.gz IXCDWEARWKDRRB-IYBDPMFKSA-N 2 2 331.460 2.596 20 30 EFEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018333834 1313818030 /nfs/dbraw/zinc/81/80/30/1313818030.db2.gz IXCDWEARWKDRRB-IYBDPMFKSA-N 2 2 331.460 2.596 20 30 EFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097073344 1313834248 /nfs/dbraw/zinc/83/42/48/1313834248.db2.gz AFSQGRLPISMFPD-KURKYZTESA-N 2 2 338.455 2.944 20 30 EFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097073344 1313834251 /nfs/dbraw/zinc/83/42/51/1313834251.db2.gz AFSQGRLPISMFPD-KURKYZTESA-N 2 2 338.455 2.944 20 30 EFEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050009 1313835203 /nfs/dbraw/zinc/83/52/03/1313835203.db2.gz STHRXQBTFSJRKR-QGZVFWFLSA-N 2 2 326.444 2.803 20 30 EFEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208083071 1313842918 /nfs/dbraw/zinc/84/29/18/1313842918.db2.gz BCXUPTDKSBWJIZ-SJORKVTESA-N 2 2 344.503 2.697 20 30 EFEDLP C[NH+](C)CC1(C[NH+]2CCN(c3cccc(C#N)c3)CC2)CCCC1 ZINC001208187935 1313865728 /nfs/dbraw/zinc/86/57/28/1313865728.db2.gz QIBFONCADWMKBW-UHFFFAOYSA-N 2 2 326.488 2.802 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099030 1303637134 /nfs/dbraw/zinc/63/71/34/1303637134.db2.gz BZAOMJJXTKGWEX-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966099030 1303637139 /nfs/dbraw/zinc/63/71/39/1303637139.db2.gz BZAOMJJXTKGWEX-RHSMWYFYSA-N 2 2 326.444 2.659 20 30 EFEDLP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453719 1313933434 /nfs/dbraw/zinc/93/34/34/1313933434.db2.gz NQEFAZVNHMTXQS-ROUUACIJSA-N 2 2 346.519 2.997 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453718 1313933582 /nfs/dbraw/zinc/93/35/82/1313933582.db2.gz NQEFAZVNHMTXQS-QZTJIDSGSA-N 2 2 346.519 2.997 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001037865134 1303823137 /nfs/dbraw/zinc/82/31/37/1303823137.db2.gz FQNBOANKKDJSDC-DLBZAZTESA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001037884081 1304211803 /nfs/dbraw/zinc/21/18/03/1304211803.db2.gz VGWAWGKXPUILHJ-HUUCEWRRSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966909042 1304426228 /nfs/dbraw/zinc/42/62/28/1304426228.db2.gz YPXPNWNGXXXOLG-DOTOQJQBSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966909042 1304426231 /nfs/dbraw/zinc/42/62/31/1304426231.db2.gz YPXPNWNGXXXOLG-DOTOQJQBSA-N 2 2 332.492 2.719 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916748 1304435696 /nfs/dbraw/zinc/43/56/96/1304435696.db2.gz UCZDQEYZLDRKQD-RDTXWAMCSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916748 1304435704 /nfs/dbraw/zinc/43/57/04/1304435704.db2.gz UCZDQEYZLDRKQD-RDTXWAMCSA-N 2 2 326.444 2.969 20 30 EFEDLP N#Cc1cccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001208851223 1314029131 /nfs/dbraw/zinc/02/91/31/1314029131.db2.gz CJEZNPOAUSFENO-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1cccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001208851223 1314029134 /nfs/dbraw/zinc/02/91/34/1314029134.db2.gz CJEZNPOAUSFENO-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1cccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001208851223 1314029138 /nfs/dbraw/zinc/02/91/38/1314029138.db2.gz CJEZNPOAUSFENO-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1cccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001208851223 1314029140 /nfs/dbraw/zinc/02/91/40/1314029140.db2.gz CJEZNPOAUSFENO-SZPZYZBQSA-N 2 2 346.478 2.950 20 30 EFEDLP N#Cc1cccc(CCC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001208851968 1314030300 /nfs/dbraw/zinc/03/03/00/1314030300.db2.gz PNMRCCUENQQJDE-UHFFFAOYSA-N 2 2 347.422 2.782 20 30 EFEDLP N#Cc1cccc(CCC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001208851968 1314030304 /nfs/dbraw/zinc/03/03/04/1314030304.db2.gz PNMRCCUENQQJDE-UHFFFAOYSA-N 2 2 347.422 2.782 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1CC ZINC001037945755 1305126362 /nfs/dbraw/zinc/12/63/62/1305126362.db2.gz LHFMTJVNBSRNLU-AEFFLSMTSA-N 2 2 340.471 2.588 20 30 EFEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001114456012 1305217537 /nfs/dbraw/zinc/21/75/37/1305217537.db2.gz NBIMFMPTBHKPBA-PIIMJCKOSA-N 2 2 344.503 2.719 20 30 EFEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001114456012 1305217544 /nfs/dbraw/zinc/21/75/44/1305217544.db2.gz NBIMFMPTBHKPBA-PIIMJCKOSA-N 2 2 344.503 2.719 20 30 EFEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1CC ZINC001037958826 1305326670 /nfs/dbraw/zinc/32/66/70/1305326670.db2.gz KUAIKTFABITSML-LPHOPBHVSA-N 2 2 338.455 2.889 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042959940 1305496275 /nfs/dbraw/zinc/49/62/75/1305496275.db2.gz GZMGDSKQUPLAFB-FQEVSTJZSA-N 2 2 345.531 2.587 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042959940 1305496283 /nfs/dbraw/zinc/49/62/83/1305496283.db2.gz GZMGDSKQUPLAFB-FQEVSTJZSA-N 2 2 345.531 2.587 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497163 1306399877 /nfs/dbraw/zinc/39/98/77/1306399877.db2.gz HNWXORHMJKCHIU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000968497163 1306399880 /nfs/dbraw/zinc/39/98/80/1306399880.db2.gz HNWXORHMJKCHIU-VQIMIIECSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001044601815 1306649146 /nfs/dbraw/zinc/64/91/46/1306649146.db2.gz FBLKSSVNADLYGE-WMLDXEAASA-N 2 2 326.444 2.802 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001044605195 1306651989 /nfs/dbraw/zinc/65/19/89/1306651989.db2.gz NUJZAGGENLARHP-CJNGLKHVSA-N 2 2 346.862 2.978 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001044649601 1306688231 /nfs/dbraw/zinc/68/82/31/1306688231.db2.gz WCFOXMYNRDRSLV-OCCSQVGLSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968855946 1306726057 /nfs/dbraw/zinc/72/60/57/1306726057.db2.gz CFXLJGVRLSIDRP-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855946 1306726065 /nfs/dbraw/zinc/72/60/65/1306726065.db2.gz CFXLJGVRLSIDRP-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855946 1306726067 /nfs/dbraw/zinc/72/60/67/1306726067.db2.gz CFXLJGVRLSIDRP-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855946 1306726072 /nfs/dbraw/zinc/72/60/72/1306726072.db2.gz CFXLJGVRLSIDRP-IAGOWNOFSA-N 2 2 341.927 2.973 20 30 EFEDLP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968860057 1306732415 /nfs/dbraw/zinc/73/24/15/1306732415.db2.gz XJRAMDDFYMMMGG-SFHVURJKSA-N 2 2 338.455 2.640 20 30 EFEDLP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968860057 1306732420 /nfs/dbraw/zinc/73/24/20/1306732420.db2.gz XJRAMDDFYMMMGG-SFHVURJKSA-N 2 2 338.455 2.640 20 30 EFEDLP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969023238 1306901112 /nfs/dbraw/zinc/90/11/12/1306901112.db2.gz OHNNMGOZPDHEMV-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969023238 1306901118 /nfs/dbraw/zinc/90/11/18/1306901118.db2.gz OHNNMGOZPDHEMV-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CCC[NH+]1CCCCC1)CCO2 ZINC001209449606 1314164783 /nfs/dbraw/zinc/16/47/83/1314164783.db2.gz BAOFQSLUVKMVMF-VQTJNVASSA-N 2 2 336.520 2.936 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCC[NH+]1CCCCC1)CCO2 ZINC001209449606 1314164784 /nfs/dbraw/zinc/16/47/84/1314164784.db2.gz BAOFQSLUVKMVMF-VQTJNVASSA-N 2 2 336.520 2.936 20 30 EFEDLP C=CCC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439678 1307340463 /nfs/dbraw/zinc/34/04/63/1307340463.db2.gz SSWIQAZPPKLEQI-UHFFFAOYSA-N 2 2 326.444 2.803 20 30 EFEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001045501204 1307384567 /nfs/dbraw/zinc/38/45/67/1307384567.db2.gz UAPMHXLIIURDGW-UHFFFAOYSA-N 2 2 326.444 2.885 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007520062 1307487287 /nfs/dbraw/zinc/48/72/87/1307487287.db2.gz XKCCTWNIKPOYKG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007520062 1307487290 /nfs/dbraw/zinc/48/72/90/1307487290.db2.gz XKCCTWNIKPOYKG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007520062 1307487294 /nfs/dbraw/zinc/48/72/94/1307487294.db2.gz XKCCTWNIKPOYKG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007520062 1307487297 /nfs/dbraw/zinc/48/72/97/1307487297.db2.gz XKCCTWNIKPOYKG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958186 1307999299 /nfs/dbraw/zinc/99/92/99/1307999299.db2.gz LVWPNLVAPBEKGV-HXUWFJFHSA-N 2 2 344.503 2.944 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958186 1307999305 /nfs/dbraw/zinc/99/93/05/1307999305.db2.gz LVWPNLVAPBEKGV-HXUWFJFHSA-N 2 2 344.503 2.944 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540273 1308143301 /nfs/dbraw/zinc/14/33/01/1308143301.db2.gz NUNJZAAUILFSSB-GOSISDBHSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540273 1308143303 /nfs/dbraw/zinc/14/33/03/1308143303.db2.gz NUNJZAAUILFSSB-GOSISDBHSA-N 2 2 349.906 2.737 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700013 1314309609 /nfs/dbraw/zinc/30/96/09/1314309609.db2.gz HLZPCILQHXIZCT-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700013 1314309611 /nfs/dbraw/zinc/30/96/11/1314309611.db2.gz HLZPCILQHXIZCT-CVEARBPZSA-N 2 2 330.476 2.767 20 30 EFEDLP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046940459 1309723270 /nfs/dbraw/zinc/72/32/70/1309723270.db2.gz URUXNZUQVQPIMM-HNNXBMFYSA-N 2 2 348.397 2.516 20 30 EFEDLP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046940459 1309723275 /nfs/dbraw/zinc/72/32/75/1309723275.db2.gz URUXNZUQVQPIMM-HNNXBMFYSA-N 2 2 348.397 2.516 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221860981 1311044825 /nfs/dbraw/zinc/04/48/25/1311044825.db2.gz JVPINJGGZVNKER-YQVWRLOYSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221860981 1311044827 /nfs/dbraw/zinc/04/48/27/1311044827.db2.gz JVPINJGGZVNKER-YQVWRLOYSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221860981 1311044829 /nfs/dbraw/zinc/04/48/29/1311044829.db2.gz JVPINJGGZVNKER-YQVWRLOYSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221860981 1311044832 /nfs/dbraw/zinc/04/48/32/1311044832.db2.gz JVPINJGGZVNKER-YQVWRLOYSA-N 2 2 344.503 2.867 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945323 1311058539 /nfs/dbraw/zinc/05/85/39/1311058539.db2.gz KIODMFLYGBVLNF-BZUAXINKSA-N 2 2 330.476 2.575 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945323 1311058543 /nfs/dbraw/zinc/05/85/43/1311058543.db2.gz KIODMFLYGBVLNF-BZUAXINKSA-N 2 2 330.476 2.575 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264466 1311081048 /nfs/dbraw/zinc/08/10/48/1311081048.db2.gz SPSKHYYXECEIOG-RDJZCZTQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264466 1311081050 /nfs/dbraw/zinc/08/10/50/1311081050.db2.gz SPSKHYYXECEIOG-RDJZCZTQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264466 1311081052 /nfs/dbraw/zinc/08/10/52/1311081052.db2.gz SPSKHYYXECEIOG-RDJZCZTQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264466 1311081055 /nfs/dbraw/zinc/08/10/55/1311081055.db2.gz SPSKHYYXECEIOG-RDJZCZTQSA-N 2 2 332.492 2.771 20 30 EFEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536629 1311247325 /nfs/dbraw/zinc/24/73/25/1311247325.db2.gz RYHKFBQQJBMFDE-UHFFFAOYSA-N 2 2 332.492 2.773 20 30 EFEDLP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001101598587 1311253243 /nfs/dbraw/zinc/25/32/43/1311253243.db2.gz WURNZWVHHHSVIB-UHFFFAOYSA-N 2 2 344.503 2.541 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001223661178 1311288202 /nfs/dbraw/zinc/28/82/02/1311288202.db2.gz MEWHNVROAFHSBR-AEFFLSMTSA-N 2 2 344.503 2.628 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001223661180 1311288446 /nfs/dbraw/zinc/28/84/46/1311288446.db2.gz MEWHNVROAFHSBR-SJLPKXTDSA-N 2 2 344.503 2.628 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224306085 1311373207 /nfs/dbraw/zinc/37/32/07/1311373207.db2.gz AXNXJLPZFUSIJJ-MSOLQXFVSA-N 2 2 332.492 2.776 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224306085 1311373211 /nfs/dbraw/zinc/37/32/11/1311373211.db2.gz AXNXJLPZFUSIJJ-MSOLQXFVSA-N 2 2 332.492 2.776 20 30 EFEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001224469267 1311395592 /nfs/dbraw/zinc/39/55/92/1311395592.db2.gz VNPMZVDMUGFERC-INIZCTEOSA-N 2 2 330.476 2.624 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224797290 1311436553 /nfs/dbraw/zinc/43/65/53/1311436553.db2.gz WRJKGCVJJFJPOY-JKSUJKDBSA-N 2 2 332.492 2.771 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224797290 1311436556 /nfs/dbraw/zinc/43/65/56/1311436556.db2.gz WRJKGCVJJFJPOY-JKSUJKDBSA-N 2 2 332.492 2.771 20 30 EFEDLP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC001277007130 1311451382 /nfs/dbraw/zinc/45/13/82/1311451382.db2.gz LLGSPKZEAGDAIU-UHFFFAOYSA-N 2 2 344.478 2.547 20 30 EFEDLP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225647054 1311559631 /nfs/dbraw/zinc/55/96/31/1311559631.db2.gz REHFTQCXMFNGMV-QGZVFWFLSA-N 2 2 332.492 2.846 20 30 EFEDLP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964659 1311619182 /nfs/dbraw/zinc/61/91/82/1311619182.db2.gz VPOFHKXVKIEFBP-MRXNPFEDSA-N 2 2 330.476 2.835 20 30 EFEDLP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964659 1311619183 /nfs/dbraw/zinc/61/91/83/1311619183.db2.gz VPOFHKXVKIEFBP-MRXNPFEDSA-N 2 2 330.476 2.835 20 30 EFEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203194024 1311660005 /nfs/dbraw/zinc/66/00/05/1311660005.db2.gz YIKIPSBENICTPZ-SJORKVTESA-N 2 2 325.456 2.661 20 30 EFEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523846 1311727639 /nfs/dbraw/zinc/72/76/39/1311727639.db2.gz NHXMCMBJARDERJ-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001160523846 1311727643 /nfs/dbraw/zinc/72/76/43/1311727643.db2.gz NHXMCMBJARDERJ-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523846 1311727646 /nfs/dbraw/zinc/72/76/46/1311727646.db2.gz NHXMCMBJARDERJ-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001160523846 1311727650 /nfs/dbraw/zinc/72/76/50/1311727650.db2.gz NHXMCMBJARDERJ-QGZVFWFLSA-N 2 2 342.487 2.538 20 30 EFEDLP Cc1ccc(CC#N)c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)[nH+]1 ZINC001161125644 1311864331 /nfs/dbraw/zinc/86/43/31/1311864331.db2.gz UMYIAKDLNODJNW-UHFFFAOYSA-N 2 2 328.460 2.948 20 30 EFEDLP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001228032817 1311890780 /nfs/dbraw/zinc/89/07/80/1311890780.db2.gz LTBOWMVRCOVANU-KRWDZBQOSA-N 2 2 344.503 2.773 20 30 EFEDLP Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001162557104 1312123840 /nfs/dbraw/zinc/12/38/40/1312123840.db2.gz AITJPDGXXGVDFQ-FLABMGJVSA-N 2 2 336.505 2.681 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229691982 1312124017 /nfs/dbraw/zinc/12/40/17/1312124017.db2.gz CCRRIQZXEZLDNE-QZTJIDSGSA-N 2 2 334.508 2.950 20 30 EFEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001162877039 1312194943 /nfs/dbraw/zinc/19/49/43/1312194943.db2.gz QOPREXVPKAHAAP-UHFFFAOYSA-N 2 2 340.471 2.510 20 30 EFEDLP Cc1cc(C)c(C(=O)NCCC[NH2+]CC#Cc2ccccc2)c(C)[nH+]1 ZINC001162910381 1312201489 /nfs/dbraw/zinc/20/14/89/1312201489.db2.gz MZXZFNXWSSGBHU-UHFFFAOYSA-N 2 2 335.451 2.768 20 30 EFEDLP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001230344801 1312226364 /nfs/dbraw/zinc/22/63/64/1312226364.db2.gz LNOANRXGGUOBFA-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001230344801 1312226368 /nfs/dbraw/zinc/22/63/68/1312226368.db2.gz LNOANRXGGUOBFA-UHFFFAOYSA-N 2 2 347.528 2.653 20 30 EFEDLP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230605954 1312280327 /nfs/dbraw/zinc/28/03/27/1312280327.db2.gz RNHQIEYEZWJMJY-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230605954 1312280330 /nfs/dbraw/zinc/28/03/30/1312280330.db2.gz RNHQIEYEZWJMJY-GOSISDBHSA-N 2 2 330.476 2.621 20 30 EFEDLP C[NH+](C)C1(CNc2nc3ccccc3cc2CC#N)CC[NH+](C)CC1 ZINC001164212085 1312469497 /nfs/dbraw/zinc/46/94/97/1312469497.db2.gz ZXNOERKZQBNZQU-UHFFFAOYSA-N 2 2 337.471 2.739 20 30 EFEDLP C=CCCCCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334606 1312494303 /nfs/dbraw/zinc/49/43/03/1312494303.db2.gz HXJDTSJSIGUURO-UHFFFAOYSA-N 2 2 332.492 2.965 20 30 EFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636643 1312656781 /nfs/dbraw/zinc/65/67/81/1312656781.db2.gz DSFTZEOEAOIPAE-QGZVFWFLSA-N 2 2 332.492 2.923 20 30 EFEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987471 1314559650 /nfs/dbraw/zinc/55/96/50/1314559650.db2.gz SCQGGDVIBCQQLM-ZWKOTPCHSA-N 3 2 325.541 2.562 20 30 EFEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001245998786 1314562788 /nfs/dbraw/zinc/56/27/88/1314562788.db2.gz ILXUKIGLWKPPHR-RDGPPVDQSA-N 2 2 326.525 2.987 20 30 EFEDLP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246017194 1314567169 /nfs/dbraw/zinc/56/71/69/1314567169.db2.gz WVBHMADJPBTQNR-MOPGFXCFSA-N 2 2 327.557 2.809 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024767 1314593018 /nfs/dbraw/zinc/59/30/18/1314593018.db2.gz RSTMTYDWGPQAII-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053024767 1314593022 /nfs/dbraw/zinc/59/30/22/1314593022.db2.gz RSTMTYDWGPQAII-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029582 1314602522 /nfs/dbraw/zinc/60/25/22/1314602522.db2.gz SYUGWWJWKLHAPW-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053029582 1314602528 /nfs/dbraw/zinc/60/25/28/1314602528.db2.gz SYUGWWJWKLHAPW-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029582 1314602532 /nfs/dbraw/zinc/60/25/32/1314602532.db2.gz SYUGWWJWKLHAPW-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053029582 1314602537 /nfs/dbraw/zinc/60/25/37/1314602537.db2.gz SYUGWWJWKLHAPW-ROUUACIJSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036483 1314614926 /nfs/dbraw/zinc/61/49/26/1314614926.db2.gz LQFIOGBPRJIJQG-RTBURBONSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036483 1314614929 /nfs/dbraw/zinc/61/49/29/1314614929.db2.gz LQFIOGBPRJIJQG-RTBURBONSA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036481 1314615137 /nfs/dbraw/zinc/61/51/37/1314615137.db2.gz LQFIOGBPRJIJQG-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036481 1314615143 /nfs/dbraw/zinc/61/51/43/1314615143.db2.gz LQFIOGBPRJIJQG-OALUTQOASA-N 2 2 344.503 2.800 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046201 1314629605 /nfs/dbraw/zinc/62/96/05/1314629605.db2.gz HXAQDDUDPKOFFA-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053046201 1314629608 /nfs/dbraw/zinc/62/96/08/1314629608.db2.gz HXAQDDUDPKOFFA-ZWKOTPCHSA-N 2 2 344.503 2.869 20 30 EFEDLP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001246529360 1314643098 /nfs/dbraw/zinc/64/30/98/1314643098.db2.gz KLXQTTQLPQBXOC-MOPGFXCFSA-N 2 2 326.488 2.991 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098370 1314712458 /nfs/dbraw/zinc/71/24/58/1314712458.db2.gz MWPLYZIXIMBQOX-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098370 1314712464 /nfs/dbraw/zinc/71/24/64/1314712464.db2.gz MWPLYZIXIMBQOX-FUHWJXTLSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099766 1314715621 /nfs/dbraw/zinc/71/56/21/1314715621.db2.gz YTTRKWNDLSKOBR-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053099766 1314715625 /nfs/dbraw/zinc/71/56/25/1314715625.db2.gz YTTRKWNDLSKOBR-AEFFLSMTSA-N 2 2 330.476 2.621 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104204 1314724525 /nfs/dbraw/zinc/72/45/25/1314724525.db2.gz CSWXTWWNBBNDNG-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104204 1314724528 /nfs/dbraw/zinc/72/45/28/1314724528.db2.gz CSWXTWWNBBNDNG-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104235 1314725111 /nfs/dbraw/zinc/72/51/11/1314725111.db2.gz DBALICJDBKRDND-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001053104235 1314725114 /nfs/dbraw/zinc/72/51/14/1314725114.db2.gz DBALICJDBKRDND-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104241 1314725197 /nfs/dbraw/zinc/72/51/97/1314725197.db2.gz DCVBZWABYKXNCF-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053104241 1314725201 /nfs/dbraw/zinc/72/52/01/1314725201.db2.gz DCVBZWABYKXNCF-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112505 1314734522 /nfs/dbraw/zinc/73/45/22/1314734522.db2.gz NLWPHMFQIGCNMR-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112505 1314734527 /nfs/dbraw/zinc/73/45/27/1314734527.db2.gz NLWPHMFQIGCNMR-ROUUACIJSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214913520 1314757093 /nfs/dbraw/zinc/75/70/93/1314757093.db2.gz BEDQYWMUVPLICX-BMFZPTHFSA-N 2 2 338.883 2.659 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215005817 1314768333 /nfs/dbraw/zinc/76/83/33/1314768333.db2.gz IVSZSQHRYYNQHA-ZHALLVOQSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006092 1314769010 /nfs/dbraw/zinc/76/90/10/1314769010.db2.gz RKAJHNOBCUZHDT-FGTMMUONSA-N 2 2 346.519 2.852 20 30 EFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630467 1314984532 /nfs/dbraw/zinc/98/45/32/1314984532.db2.gz GWDSSQWJXRTMIV-SJLPKXTDSA-N 2 2 334.508 2.760 20 30 EFEDLP Cc1nc(O[C@@H]2C[NH2+]CC[C@H]2C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001218043368 1315138027 /nfs/dbraw/zinc/13/80/27/1315138027.db2.gz GFBMTHDKKVLING-FZKQIMNGSA-N 2 2 347.422 2.953 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001054046705 1315218836 /nfs/dbraw/zinc/21/88/36/1315218836.db2.gz PSWGQBXTMHZJJV-FQEVSTJZSA-N 2 2 346.434 2.677 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001054046705 1315218840 /nfs/dbraw/zinc/21/88/40/1315218840.db2.gz PSWGQBXTMHZJJV-FQEVSTJZSA-N 2 2 346.434 2.677 20 30 EFEDLP N#Cc1c2ccccc2sc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218649515 1315226370 /nfs/dbraw/zinc/22/63/70/1315226370.db2.gz FLTPJRIYNSRLAP-HNNXBMFYSA-N 2 2 336.420 2.984 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001054061432 1315246932 /nfs/dbraw/zinc/24/69/32/1315246932.db2.gz ZUBAOYGXKYHXJA-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001054061432 1315246937 /nfs/dbraw/zinc/24/69/37/1315246937.db2.gz ZUBAOYGXKYHXJA-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001054061432 1315246943 /nfs/dbraw/zinc/24/69/43/1315246943.db2.gz ZUBAOYGXKYHXJA-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001054061432 1315246947 /nfs/dbraw/zinc/24/69/47/1315246947.db2.gz ZUBAOYGXKYHXJA-WOJBJXKFSA-N 2 2 341.499 2.590 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151570 1315375224 /nfs/dbraw/zinc/37/52/24/1315375224.db2.gz MYFOXMXJZRBHQL-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001054151570 1315375229 /nfs/dbraw/zinc/37/52/29/1315375229.db2.gz MYFOXMXJZRBHQL-HXUWFJFHSA-N 2 2 343.471 2.523 20 30 EFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205446 1315453965 /nfs/dbraw/zinc/45/39/65/1315453965.db2.gz RIIJNGNQXGSKHS-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205446 1315453969 /nfs/dbraw/zinc/45/39/69/1315453969.db2.gz RIIJNGNQXGSKHS-PKOBYXMFSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054227273 1315486418 /nfs/dbraw/zinc/48/64/18/1315486418.db2.gz GDDKRFNQVKWVJX-FQEVSTJZSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054227273 1315486422 /nfs/dbraw/zinc/48/64/22/1315486422.db2.gz GDDKRFNQVKWVJX-FQEVSTJZSA-N 2 2 344.503 2.968 20 30 EFEDLP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039137837 1315524836 /nfs/dbraw/zinc/52/48/36/1315524836.db2.gz SCINNFNGSGEUNT-INIZCTEOSA-N 2 2 338.455 2.923 20 30 EFEDLP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039137837 1315524839 /nfs/dbraw/zinc/52/48/39/1315524839.db2.gz SCINNFNGSGEUNT-INIZCTEOSA-N 2 2 338.455 2.923 20 30 EFEDLP N#Cc1ccc2c(c1)CC[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252922410 1315533519 /nfs/dbraw/zinc/53/35/19/1315533519.db2.gz JKTLZLDOZIRYCD-QFIPXVFZSA-N 2 2 347.462 2.553 20 30 EFEDLP N#Cc1ccc2c(c1)CC[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252922410 1315533523 /nfs/dbraw/zinc/53/35/23/1315533523.db2.gz JKTLZLDOZIRYCD-QFIPXVFZSA-N 2 2 347.462 2.553 20 30 EFEDLP N#Cc1ccc2c(c1)CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252922410 1315533526 /nfs/dbraw/zinc/53/35/26/1315533526.db2.gz JKTLZLDOZIRYCD-QFIPXVFZSA-N 2 2 347.462 2.553 20 30 EFEDLP N#Cc1ccc2c(c1)CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252922410 1315533530 /nfs/dbraw/zinc/53/35/30/1315533530.db2.gz JKTLZLDOZIRYCD-QFIPXVFZSA-N 2 2 347.462 2.553 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159899 1315556167 /nfs/dbraw/zinc/55/61/67/1315556167.db2.gz AZLWUCBCVBEMPL-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039159899 1315556171 /nfs/dbraw/zinc/55/61/71/1315556171.db2.gz AZLWUCBCVBEMPL-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159899 1315556174 /nfs/dbraw/zinc/55/61/74/1315556174.db2.gz AZLWUCBCVBEMPL-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039159899 1315556175 /nfs/dbraw/zinc/55/61/75/1315556175.db2.gz AZLWUCBCVBEMPL-FUHWJXTLSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161045 1315557450 /nfs/dbraw/zinc/55/74/50/1315557450.db2.gz GSPOCNAHLKUMHA-FUHWJXTLSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161045 1315557457 /nfs/dbraw/zinc/55/74/57/1315557457.db2.gz GSPOCNAHLKUMHA-FUHWJXTLSA-N 2 2 330.476 2.581 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039160460 1315557688 /nfs/dbraw/zinc/55/76/88/1315557688.db2.gz RDFBYCHEZNHREF-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001039160460 1315557692 /nfs/dbraw/zinc/55/76/92/1315557692.db2.gz RDFBYCHEZNHREF-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039160460 1315557695 /nfs/dbraw/zinc/55/76/95/1315557695.db2.gz RDFBYCHEZNHREF-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039160460 1315557699 /nfs/dbraw/zinc/55/76/99/1315557699.db2.gz RDFBYCHEZNHREF-SJLPKXTDSA-N 2 2 344.503 2.725 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603606 1315560628 /nfs/dbraw/zinc/56/06/28/1315560628.db2.gz SLUKBBDCUAKOKC-SJLPKXTDSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603606 1315560630 /nfs/dbraw/zinc/56/06/30/1315560630.db2.gz SLUKBBDCUAKOKC-SJLPKXTDSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603606 1315560633 /nfs/dbraw/zinc/56/06/33/1315560633.db2.gz SLUKBBDCUAKOKC-SJLPKXTDSA-N 2 2 332.492 2.845 20 30 EFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603606 1315560637 /nfs/dbraw/zinc/56/06/37/1315560637.db2.gz SLUKBBDCUAKOKC-SJLPKXTDSA-N 2 2 332.492 2.845 20 30 EFEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221635080 1315567423 /nfs/dbraw/zinc/56/74/23/1315567423.db2.gz XRQIBLUFNYHLPU-GUDVDZBRSA-N 2 2 344.503 2.969 20 30 EFEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221635080 1315567427 /nfs/dbraw/zinc/56/74/27/1315567427.db2.gz XRQIBLUFNYHLPU-GUDVDZBRSA-N 2 2 344.503 2.969 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224604 1315644844 /nfs/dbraw/zinc/64/48/44/1315644844.db2.gz HBXLNPCFLPGJOM-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224604 1315644847 /nfs/dbraw/zinc/64/48/47/1315644847.db2.gz HBXLNPCFLPGJOM-QZTJIDSGSA-N 2 2 330.476 2.552 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039226566 1315647980 /nfs/dbraw/zinc/64/79/80/1315647980.db2.gz WHNJKOSDXCKQPJ-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039226566 1315647985 /nfs/dbraw/zinc/64/79/85/1315647985.db2.gz WHNJKOSDXCKQPJ-RTBURBONSA-N 2 2 344.503 2.942 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251153 1315682163 /nfs/dbraw/zinc/68/21/63/1315682163.db2.gz SZHTZLAQTLQDNN-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039251153 1315682167 /nfs/dbraw/zinc/68/21/67/1315682167.db2.gz SZHTZLAQTLQDNN-SJLPKXTDSA-N 2 2 330.476 2.540 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252002 1315684055 /nfs/dbraw/zinc/68/40/55/1315684055.db2.gz YTNSPIGNEPPRKJ-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252002 1315684059 /nfs/dbraw/zinc/68/40/59/1315684059.db2.gz YTNSPIGNEPPRKJ-HKUYNNGSSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252004 1315684267 /nfs/dbraw/zinc/68/42/67/1315684267.db2.gz YTNSPIGNEPPRKJ-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039252004 1315684270 /nfs/dbraw/zinc/68/42/70/1315684270.db2.gz YTNSPIGNEPPRKJ-MJGOQNOKSA-N 2 2 344.503 2.930 20 30 EFEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001039304904 1315710250 /nfs/dbraw/zinc/71/02/50/1315710250.db2.gz HFRDBIGYAAFWAO-CTXDPNEZSA-N 2 2 348.450 2.621 20 30 EFEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)C1 ZINC001254659494 1315736188 /nfs/dbraw/zinc/73/61/88/1315736188.db2.gz QETJQKURDDGHTB-AEFFLSMTSA-N 2 2 329.444 2.639 20 30 EFEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)C1 ZINC001254659494 1315736190 /nfs/dbraw/zinc/73/61/90/1315736190.db2.gz QETJQKURDDGHTB-AEFFLSMTSA-N 2 2 329.444 2.639 20 30 EFEDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC3)cn1 ZINC001254663325 1315737043 /nfs/dbraw/zinc/73/70/43/1315737043.db2.gz PRTBGLPBGXWTDZ-SJLPKXTDSA-N 2 2 327.476 2.543 20 30 EFEDLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC3)cn1 ZINC001254663325 1315737045 /nfs/dbraw/zinc/73/70/45/1315737045.db2.gz PRTBGLPBGXWTDZ-SJLPKXTDSA-N 2 2 327.476 2.543 20 30 EFEDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CC[C@H](C#N)C2)CC3)cn1 ZINC001254663327 1315737197 /nfs/dbraw/zinc/73/71/97/1315737197.db2.gz PRTBGLPBGXWTDZ-WMZOPIPTSA-N 2 2 327.476 2.543 20 30 EFEDLP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CC[C@H](C#N)C2)CC3)cn1 ZINC001254663327 1315737200 /nfs/dbraw/zinc/73/72/00/1315737200.db2.gz PRTBGLPBGXWTDZ-WMZOPIPTSA-N 2 2 327.476 2.543 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039424874 1315783246 /nfs/dbraw/zinc/78/32/46/1315783246.db2.gz KAVMSGLRJIJXLG-NXOAAHMSSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424874 1315783248 /nfs/dbraw/zinc/78/32/48/1315783248.db2.gz KAVMSGLRJIJXLG-NXOAAHMSSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424874 1315783253 /nfs/dbraw/zinc/78/32/53/1315783253.db2.gz KAVMSGLRJIJXLG-NXOAAHMSSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424874 1315783255 /nfs/dbraw/zinc/78/32/55/1315783255.db2.gz KAVMSGLRJIJXLG-NXOAAHMSSA-N 2 2 339.911 2.535 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039439678 1315792031 /nfs/dbraw/zinc/79/20/31/1315792031.db2.gz BZTXEJLREOTDDG-XMTFNYHQSA-N 2 2 342.487 2.555 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039439678 1315792034 /nfs/dbraw/zinc/79/20/34/1315792034.db2.gz BZTXEJLREOTDDG-XMTFNYHQSA-N 2 2 342.487 2.555 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256078706 1315901362 /nfs/dbraw/zinc/90/13/62/1315901362.db2.gz QYMCSKIFSFXPIW-FXAWDEMLSA-N 2 2 334.504 2.687 20 30 EFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256078706 1315901364 /nfs/dbraw/zinc/90/13/64/1315901364.db2.gz QYMCSKIFSFXPIW-FXAWDEMLSA-N 2 2 334.504 2.687 20 30 EFEDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963857 1316014834 /nfs/dbraw/zinc/01/48/34/1316014834.db2.gz RBXZRDHRVPWEJP-PEVDHWGLSA-N 2 2 327.472 2.948 20 30 EFEDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963857 1316014836 /nfs/dbraw/zinc/01/48/36/1316014836.db2.gz RBXZRDHRVPWEJP-PEVDHWGLSA-N 2 2 327.472 2.948 20 30 EFEDLP CCCCCCC[C@@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001258046784 1316115257 /nfs/dbraw/zinc/11/52/57/1316115257.db2.gz DMXYWAFDNZXZFQ-LJQANCHMSA-N 2 2 325.541 2.685 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425026 1316257337 /nfs/dbraw/zinc/25/73/37/1316257337.db2.gz PKASFLSMZNEFKW-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425026 1316257339 /nfs/dbraw/zinc/25/73/39/1316257339.db2.gz PKASFLSMZNEFKW-HKUYNNGSSA-N 2 2 330.476 2.725 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494035 1316292287 /nfs/dbraw/zinc/29/22/87/1316292287.db2.gz SXLAYCXZCIIHNK-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494035 1316292290 /nfs/dbraw/zinc/29/22/90/1316292290.db2.gz SXLAYCXZCIIHNK-IBGZPJMESA-N 2 2 330.476 2.578 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494698 1316293221 /nfs/dbraw/zinc/29/32/21/1316293221.db2.gz YTDCQIYWPWIWBZ-FQEVSTJZSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494698 1316293225 /nfs/dbraw/zinc/29/32/25/1316293225.db2.gz YTDCQIYWPWIWBZ-FQEVSTJZSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494700 1316293321 /nfs/dbraw/zinc/29/33/21/1316293321.db2.gz YTDCQIYWPWIWBZ-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494700 1316293322 /nfs/dbraw/zinc/29/33/22/1316293322.db2.gz YTDCQIYWPWIWBZ-HXUWFJFHSA-N 2 2 344.503 2.968 20 30 EFEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001042168033 1316926024 /nfs/dbraw/zinc/92/60/24/1316926024.db2.gz RDZFOKVHQNBFHG-QFBILLFUSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001042168033 1316926030 /nfs/dbraw/zinc/92/60/30/1316926030.db2.gz RDZFOKVHQNBFHG-QFBILLFUSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001042168034 1316926194 /nfs/dbraw/zinc/92/61/94/1316926194.db2.gz RDZFOKVHQNBFHG-VQIMIIECSA-N 2 2 336.439 2.595 20 30 EFEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]21 ZINC001042168034 1316926195 /nfs/dbraw/zinc/92/61/95/1316926195.db2.gz RDZFOKVHQNBFHG-VQIMIIECSA-N 2 2 336.439 2.595 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042315026 1317138960 /nfs/dbraw/zinc/13/89/60/1317138960.db2.gz YRAVAEOOMNNAEN-JKSUJKDBSA-N 2 2 330.476 2.576 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042315026 1317138970 /nfs/dbraw/zinc/13/89/70/1317138970.db2.gz YRAVAEOOMNNAEN-JKSUJKDBSA-N 2 2 330.476 2.576 20 30 EFEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001348973449 1332890997 /nfs/dbraw/zinc/89/09/97/1332890997.db2.gz QYUNQIOEYLIGBZ-KRWDZBQOSA-N 2 2 328.460 2.597 20 30 EFEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001348973449 1332891001 /nfs/dbraw/zinc/89/10/01/1332891001.db2.gz QYUNQIOEYLIGBZ-KRWDZBQOSA-N 2 2 328.460 2.597 20 30 EFEDLP C=C(C)C[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001001692668 1333381337 /nfs/dbraw/zinc/38/13/37/1333381337.db2.gz IDSULDNKEDGCSN-UHFFFAOYSA-N 2 2 338.455 2.890 20 30 EFEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001100541374 1334245768 /nfs/dbraw/zinc/24/57/68/1334245768.db2.gz HQGPMTGEOVGSNQ-UHFFFAOYSA-N 2 2 338.455 2.937 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929568 1334994175 /nfs/dbraw/zinc/99/41/75/1334994175.db2.gz GZYDBTQVSXIZDD-MJGOQNOKSA-N 2 2 343.471 2.664 20 30 EFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929568 1334994179 /nfs/dbraw/zinc/99/41/79/1334994179.db2.gz GZYDBTQVSXIZDD-MJGOQNOKSA-N 2 2 343.471 2.664 20 30 EFEDLP CC(C)(C)[NH+]=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CCCCO1 ZINC001356509059 1335046051 /nfs/dbraw/zinc/04/60/51/1335046051.db2.gz KXMBJQOUDNYZIK-INIZCTEOSA-N 2 2 335.496 2.566 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001367049072 1338312550 /nfs/dbraw/zinc/31/25/50/1338312550.db2.gz HSKKNBPTVWRMLG-QGZVFWFLSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001367049072 1338312555 /nfs/dbraw/zinc/31/25/55/1338312555.db2.gz HSKKNBPTVWRMLG-QGZVFWFLSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001367049072 1338312559 /nfs/dbraw/zinc/31/25/59/1338312559.db2.gz HSKKNBPTVWRMLG-QGZVFWFLSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001367049072 1338312564 /nfs/dbraw/zinc/31/25/64/1338312564.db2.gz HSKKNBPTVWRMLG-QGZVFWFLSA-N 2 2 341.927 2.926 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001374391777 1341847289 /nfs/dbraw/zinc/84/72/89/1341847289.db2.gz ALVCVSORJWYFGF-GOEBONIOSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001374391782 1341847329 /nfs/dbraw/zinc/84/73/29/1341847329.db2.gz ALVCVSORJWYFGF-HOCLYGCPSA-N 2 2 338.883 2.633 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001375872846 1343119141 /nfs/dbraw/zinc/11/91/41/1343119141.db2.gz HKIJDTCPBJJUMW-GOSISDBHSA-N 2 2 346.862 2.837 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001393492216 1356894689 /nfs/dbraw/zinc/89/46/89/1356894689.db2.gz OICHRMOGDLGPKY-JYJNAYRXSA-N 2 2 338.883 2.851 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001398311198 1360456104 /nfs/dbraw/zinc/45/61/04/1360456104.db2.gz BVHMFHTZZFJBFO-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001398311198 1360456105 /nfs/dbraw/zinc/45/61/05/1360456105.db2.gz BVHMFHTZZFJBFO-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398311198 1360456108 /nfs/dbraw/zinc/45/61/08/1360456108.db2.gz BVHMFHTZZFJBFO-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001398311198 1360456110 /nfs/dbraw/zinc/45/61/10/1360456110.db2.gz BVHMFHTZZFJBFO-HNNXBMFYSA-N 2 2 327.900 2.584 20 30 EFEDLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC001399003030 1360925329 /nfs/dbraw/zinc/92/53/29/1360925329.db2.gz NGXVAQGPTQRRNY-HNNXBMFYSA-N 2 2 336.439 2.787 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001402513558 1363752717 /nfs/dbraw/zinc/75/27/17/1363752717.db2.gz ZEHBCDUZINHODU-WKILWMFISA-N 2 2 338.883 2.680 20 30 EFEDLP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001418842697 1374565244 /nfs/dbraw/zinc/56/52/44/1374565244.db2.gz KTZFNWCAFVITOT-CQSZACIVSA-N 2 2 346.862 2.917 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001438434256 1388596566 /nfs/dbraw/zinc/59/65/66/1388596566.db2.gz XDPDMGHJVBMOPC-PXAZEXFGSA-N 2 2 338.883 2.668 20 30 EFEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001422164639 1379710180 /nfs/dbraw/zinc/71/01/80/1379710180.db2.gz WTYCZUIKSLWJJR-UHFFFAOYSA-N 2 2 329.897 2.566 20 30 EFEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001422164639 1379710185 /nfs/dbraw/zinc/71/01/85/1379710185.db2.gz WTYCZUIKSLWJJR-UHFFFAOYSA-N 2 2 329.897 2.566 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC001438749143 1388784982 /nfs/dbraw/zinc/78/49/82/1388784982.db2.gz RMKPALWUMDYOJV-MRXNPFEDSA-N 2 2 338.883 2.680 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001423965718 1382561593 /nfs/dbraw/zinc/56/15/93/1382561593.db2.gz YLOMGNJZSSFQQP-GOEBONIOSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001424076790 1382734927 /nfs/dbraw/zinc/73/49/27/1382734927.db2.gz LRQMJDSPYNETDW-ZDUSSCGKSA-N 2 2 346.862 2.980 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001441583145 1391374277 /nfs/dbraw/zinc/37/42/77/1391374277.db2.gz NWHNAJIFIJVMPE-SFHVURJKSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001441583145 1391374281 /nfs/dbraw/zinc/37/42/81/1391374281.db2.gz NWHNAJIFIJVMPE-SFHVURJKSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001441583145 1391374286 /nfs/dbraw/zinc/37/42/86/1391374286.db2.gz NWHNAJIFIJVMPE-SFHVURJKSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001441583145 1391374291 /nfs/dbraw/zinc/37/42/91/1391374291.db2.gz NWHNAJIFIJVMPE-SFHVURJKSA-N 2 2 349.906 2.699 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001449056222 1392240758 /nfs/dbraw/zinc/24/07/58/1392240758.db2.gz SHNXUMNRLDRVGL-GOEBONIOSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001449056222 1392240763 /nfs/dbraw/zinc/24/07/63/1392240763.db2.gz SHNXUMNRLDRVGL-GOEBONIOSA-N 2 2 338.883 2.693 20 30 EFEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001498487072 1402140521 /nfs/dbraw/zinc/14/05/21/1402140521.db2.gz GKTRITQKRNWYPH-CABCVRRESA-N 2 2 346.862 2.965 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970427330 713708032 /nfs/dbraw/zinc/70/80/32/713708032.db2.gz DWZRDEQOESFAJP-HNNXBMFYSA-N 2 2 349.906 2.593 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970718888 713931560 /nfs/dbraw/zinc/93/15/60/713931560.db2.gz NERQCJVYDAWNCK-DOTOQJQBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970718888 713931563 /nfs/dbraw/zinc/93/15/63/713931563.db2.gz NERQCJVYDAWNCK-DOTOQJQBSA-N 2 2 341.927 2.830 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557330 717936583 /nfs/dbraw/zinc/93/65/83/717936583.db2.gz RLNGGYAHHYAPOE-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557330 717936586 /nfs/dbraw/zinc/93/65/86/717936586.db2.gz RLNGGYAHHYAPOE-OAHLLOKOSA-N 2 2 332.835 2.671 20 30 EFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611590 714176626 /nfs/dbraw/zinc/17/66/26/714176626.db2.gz PZBXUJOXQAIJKH-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001021611590 714176627 /nfs/dbraw/zinc/17/66/27/714176627.db2.gz PZBXUJOXQAIJKH-WMZOPIPTSA-N 2 2 343.471 2.522 20 30 EFEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615244 714180149 /nfs/dbraw/zinc/18/01/49/714180149.db2.gz VXMALTDFZWBRKV-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615244 714180151 /nfs/dbraw/zinc/18/01/51/714180151.db2.gz VXMALTDFZWBRKV-KXBFYZLASA-N 2 2 336.439 2.513 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723995 714371491 /nfs/dbraw/zinc/37/14/91/714371491.db2.gz HRNZEEAKHUOJDX-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723995 714371493 /nfs/dbraw/zinc/37/14/93/714371493.db2.gz HRNZEEAKHUOJDX-MJGOQNOKSA-N 2 2 344.503 2.632 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450190 714639555 /nfs/dbraw/zinc/63/95/55/714639555.db2.gz PSFFOQWGYBBXLT-TZMCWYRMSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450190 714639556 /nfs/dbraw/zinc/63/95/56/714639556.db2.gz PSFFOQWGYBBXLT-TZMCWYRMSA-N 2 2 332.835 2.898 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035706 715458990 /nfs/dbraw/zinc/45/89/90/715458990.db2.gz BVLXLLLLJAYVMO-GOEBONIOSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035706 715458991 /nfs/dbraw/zinc/45/89/91/715458991.db2.gz BVLXLLLLJAYVMO-GOEBONIOSA-N 2 2 330.476 2.622 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326466 716105404 /nfs/dbraw/zinc/10/54/04/716105404.db2.gz DQNHQIIHCRPRPG-QGZVFWFLSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977326466 716105406 /nfs/dbraw/zinc/10/54/06/716105406.db2.gz DQNHQIIHCRPRPG-QGZVFWFLSA-N 2 2 349.906 2.941 20 30 EFEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977416666 716162598 /nfs/dbraw/zinc/16/25/98/716162598.db2.gz WEVQTMVLXDJMGF-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000977416666 716162599 /nfs/dbraw/zinc/16/25/99/716162599.db2.gz WEVQTMVLXDJMGF-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369494 716388360 /nfs/dbraw/zinc/38/83/60/716388360.db2.gz DZQYVFRHLQNOLJ-MRXNPFEDSA-N 2 2 326.444 2.661 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369494 716388364 /nfs/dbraw/zinc/38/83/64/716388364.db2.gz DZQYVFRHLQNOLJ-MRXNPFEDSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369119 716392967 /nfs/dbraw/zinc/39/29/67/716392967.db2.gz ACIZVVYVWSOVJR-INIZCTEOSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023369119 716392970 /nfs/dbraw/zinc/39/29/70/716392970.db2.gz ACIZVVYVWSOVJR-INIZCTEOSA-N 2 2 326.444 2.661 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452285 716486539 /nfs/dbraw/zinc/48/65/39/716486539.db2.gz WYNHUWZYVDGDFW-IRXDYDNUSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023452285 716486542 /nfs/dbraw/zinc/48/65/42/716486542.db2.gz WYNHUWZYVDGDFW-IRXDYDNUSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452285 716486545 /nfs/dbraw/zinc/48/65/45/716486545.db2.gz WYNHUWZYVDGDFW-IRXDYDNUSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023452285 716486548 /nfs/dbraw/zinc/48/65/48/716486548.db2.gz WYNHUWZYVDGDFW-IRXDYDNUSA-N 2 2 344.503 2.617 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487970 716539785 /nfs/dbraw/zinc/53/97/85/716539785.db2.gz SFMWLKJKBDYFLQ-MRXNPFEDSA-N 2 2 326.444 2.742 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487970 716539788 /nfs/dbraw/zinc/53/97/88/716539788.db2.gz SFMWLKJKBDYFLQ-MRXNPFEDSA-N 2 2 326.444 2.742 20 30 EFEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972703745 717129712 /nfs/dbraw/zinc/12/97/12/717129712.db2.gz KUWGNLMSYPKXGL-HKUYNNGSSA-N 2 2 349.906 2.749 20 30 EFEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972703745 717129713 /nfs/dbraw/zinc/12/97/13/717129713.db2.gz KUWGNLMSYPKXGL-HKUYNNGSSA-N 2 2 349.906 2.749 20 30 EFEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC000979714503 717358845 /nfs/dbraw/zinc/35/88/45/717358845.db2.gz PBXDMHFZFKYAKD-OKZBNKHCSA-N 2 2 338.455 2.659 20 30 EFEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC000979714503 717358850 /nfs/dbraw/zinc/35/88/50/717358850.db2.gz PBXDMHFZFKYAKD-OKZBNKHCSA-N 2 2 338.455 2.659 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024437856 717734404 /nfs/dbraw/zinc/73/44/04/717734404.db2.gz XKFOTUVLHACGFF-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024437856 717734406 /nfs/dbraw/zinc/73/44/06/717734406.db2.gz XKFOTUVLHACGFF-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437856 717734410 /nfs/dbraw/zinc/73/44/10/717734410.db2.gz XKFOTUVLHACGFF-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437856 717734413 /nfs/dbraw/zinc/73/44/13/717734413.db2.gz XKFOTUVLHACGFF-CVEARBPZSA-N 2 2 327.900 2.582 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024486697 717810665 /nfs/dbraw/zinc/81/06/65/717810665.db2.gz GATDDYKAQHJXHG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024486697 717810669 /nfs/dbraw/zinc/81/06/69/717810669.db2.gz GATDDYKAQHJXHG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024486697 717810675 /nfs/dbraw/zinc/81/06/75/717810675.db2.gz GATDDYKAQHJXHG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024486697 717810678 /nfs/dbraw/zinc/81/06/78/717810678.db2.gz GATDDYKAQHJXHG-PMACEKPBSA-N 2 2 345.531 2.635 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516350 717861517 /nfs/dbraw/zinc/86/15/17/717861517.db2.gz INBHNSYFRBUVJZ-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024516350 717861523 /nfs/dbraw/zinc/86/15/23/717861523.db2.gz INBHNSYFRBUVJZ-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516350 717861526 /nfs/dbraw/zinc/86/15/26/717861526.db2.gz INBHNSYFRBUVJZ-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024516350 717861532 /nfs/dbraw/zinc/86/15/32/717861532.db2.gz INBHNSYFRBUVJZ-IRXDYDNUSA-N 2 2 344.503 2.760 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024693048 718087281 /nfs/dbraw/zinc/08/72/81/718087281.db2.gz VGHQTDAEEWOTIC-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024693048 718087284 /nfs/dbraw/zinc/08/72/84/718087284.db2.gz VGHQTDAEEWOTIC-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024693048 718087285 /nfs/dbraw/zinc/08/72/85/718087285.db2.gz VGHQTDAEEWOTIC-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024693048 718087288 /nfs/dbraw/zinc/08/72/88/718087288.db2.gz VGHQTDAEEWOTIC-DLBZAZTESA-N 2 2 341.927 2.973 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663290 718432073 /nfs/dbraw/zinc/43/20/73/718432073.db2.gz STQOMBFTELNQPJ-UKRRQHHQSA-N 2 2 339.867 2.676 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663290 718432074 /nfs/dbraw/zinc/43/20/74/718432074.db2.gz STQOMBFTELNQPJ-UKRRQHHQSA-N 2 2 339.867 2.676 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226501 718439991 /nfs/dbraw/zinc/43/99/91/718439991.db2.gz KDGIZPYICLCFQK-IAGOWNOFSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226501 718439992 /nfs/dbraw/zinc/43/99/92/718439992.db2.gz KDGIZPYICLCFQK-IAGOWNOFSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235539 718451297 /nfs/dbraw/zinc/45/12/97/718451297.db2.gz ASKRJQJJYMMFIF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025235539 718451298 /nfs/dbraw/zinc/45/12/98/718451298.db2.gz ASKRJQJJYMMFIF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235539 718451300 /nfs/dbraw/zinc/45/13/00/718451300.db2.gz ASKRJQJJYMMFIF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025235539 718451302 /nfs/dbraw/zinc/45/13/02/718451302.db2.gz ASKRJQJJYMMFIF-ZWKOTPCHSA-N 2 2 330.476 2.764 20 30 EFEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245473 718470229 /nfs/dbraw/zinc/47/02/29/718470229.db2.gz MYRFAWYHHLJLIT-RTBURBONSA-N 2 2 336.439 2.655 20 30 EFEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245473 718470231 /nfs/dbraw/zinc/47/02/31/718470231.db2.gz MYRFAWYHHLJLIT-RTBURBONSA-N 2 2 336.439 2.655 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253767 718479871 /nfs/dbraw/zinc/47/98/71/718479871.db2.gz BFJFKOAKGAUDIJ-ZWKOTPCHSA-N 2 2 330.476 2.695 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025253767 718479873 /nfs/dbraw/zinc/47/98/73/718479873.db2.gz BFJFKOAKGAUDIJ-ZWKOTPCHSA-N 2 2 330.476 2.695 20 30 EFEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287068 718523129 /nfs/dbraw/zinc/52/31/29/718523129.db2.gz BTIKDTHFBHHXID-IAGOWNOFSA-N 2 2 342.487 2.556 20 30 EFEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025287068 718523143 /nfs/dbraw/zinc/52/31/43/718523143.db2.gz BTIKDTHFBHHXID-IAGOWNOFSA-N 2 2 342.487 2.556 20 30 EFEDLP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025292647 718532742 /nfs/dbraw/zinc/53/27/42/718532742.db2.gz LAOLNYLYWREYKA-QZTJIDSGSA-N 2 2 330.476 2.682 20 30 EFEDLP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025292647 718532745 /nfs/dbraw/zinc/53/27/45/718532745.db2.gz LAOLNYLYWREYKA-QZTJIDSGSA-N 2 2 330.476 2.682 20 30 EFEDLP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482797 718990268 /nfs/dbraw/zinc/99/02/68/718990268.db2.gz QOAWPZVZOIYXIX-HOTGVXAUSA-N 2 2 326.444 2.741 20 30 EFEDLP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482797 718990270 /nfs/dbraw/zinc/99/02/70/718990270.db2.gz QOAWPZVZOIYXIX-HOTGVXAUSA-N 2 2 326.444 2.741 20 30 EFEDLP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492739 719020313 /nfs/dbraw/zinc/02/03/13/719020313.db2.gz DSVVLJRADDKXEM-SJLPKXTDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025492739 719020318 /nfs/dbraw/zinc/02/03/18/719020318.db2.gz DSVVLJRADDKXEM-SJLPKXTDSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000981842020 719118814 /nfs/dbraw/zinc/11/88/14/719118814.db2.gz RMFVTYWYDDQZFT-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000981842020 719118818 /nfs/dbraw/zinc/11/88/18/719118818.db2.gz RMFVTYWYDDQZFT-UHFFFAOYSA-N 2 2 343.471 2.523 20 30 EFEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001026267868 720080240 /nfs/dbraw/zinc/08/02/40/720080240.db2.gz RLEPLSVARNTIEX-OKZBNKHCSA-N 2 2 338.455 2.659 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974675159 721265810 /nfs/dbraw/zinc/26/58/10/721265810.db2.gz ASNBADPQEMJFHF-HOTGVXAUSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974675159 721265811 /nfs/dbraw/zinc/26/58/11/721265811.db2.gz ASNBADPQEMJFHF-HOTGVXAUSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974675159 721265815 /nfs/dbraw/zinc/26/58/15/721265815.db2.gz ASNBADPQEMJFHF-HOTGVXAUSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974675159 721265818 /nfs/dbraw/zinc/26/58/18/721265818.db2.gz ASNBADPQEMJFHF-HOTGVXAUSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974735110 721371522 /nfs/dbraw/zinc/37/15/22/721371522.db2.gz LUYZTRQIQFXVCA-QGZVFWFLSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974735110 721371527 /nfs/dbraw/zinc/37/15/27/721371527.db2.gz LUYZTRQIQFXVCA-QGZVFWFLSA-N 2 2 326.444 2.969 20 30 EFEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974767627 721414114 /nfs/dbraw/zinc/41/41/14/721414114.db2.gz PMHBXQKZDCDJCU-MRXNPFEDSA-N 2 2 346.862 2.835 20 30 EFEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974767627 721414120 /nfs/dbraw/zinc/41/41/20/721414120.db2.gz PMHBXQKZDCDJCU-MRXNPFEDSA-N 2 2 346.862 2.835 20 30 EFEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974876474 721494181 /nfs/dbraw/zinc/49/41/81/721494181.db2.gz BOUIWBQXWIMBIB-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000974876474 721494184 /nfs/dbraw/zinc/49/41/84/721494184.db2.gz BOUIWBQXWIMBIB-SFHVURJKSA-N 2 2 338.455 2.889 20 30 EFEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000986607689 724797457 /nfs/dbraw/zinc/79/74/57/724797457.db2.gz CNASHJOJWOKFRB-YOEHRIQHSA-N 2 2 344.846 2.817 20 30 EFEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000985433261 724335988 /nfs/dbraw/zinc/33/59/88/724335988.db2.gz KVKFTSCOOCOLKO-UHFFFAOYSA-N 2 2 326.444 2.755 20 30 EFEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000985433261 724335991 /nfs/dbraw/zinc/33/59/91/724335991.db2.gz KVKFTSCOOCOLKO-UHFFFAOYSA-N 2 2 326.444 2.755 20 30 EFEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992034946 725478606 /nfs/dbraw/zinc/47/86/06/725478606.db2.gz XJGBBXMEKHBGCV-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992034946 725478608 /nfs/dbraw/zinc/47/86/08/725478608.db2.gz XJGBBXMEKHBGCV-PZJWPPBQSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168035 725580801 /nfs/dbraw/zinc/58/08/01/725580801.db2.gz MIRGNHXOAOBMTD-QAPCUYQASA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168035 725580803 /nfs/dbraw/zinc/58/08/03/725580803.db2.gz MIRGNHXOAOBMTD-QAPCUYQASA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168035 725580804 /nfs/dbraw/zinc/58/08/04/725580804.db2.gz MIRGNHXOAOBMTD-QAPCUYQASA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992168035 725580806 /nfs/dbraw/zinc/58/08/06/725580806.db2.gz MIRGNHXOAOBMTD-QAPCUYQASA-N 2 2 339.911 2.584 20 30 EFEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992356917 725743647 /nfs/dbraw/zinc/74/36/47/725743647.db2.gz AMQQCZGPPOIZAC-FPOVZHCZSA-N 2 2 348.450 2.622 20 30 EFEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992356917 725743649 /nfs/dbraw/zinc/74/36/49/725743649.db2.gz AMQQCZGPPOIZAC-FPOVZHCZSA-N 2 2 348.450 2.622 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992364307 725747473 /nfs/dbraw/zinc/74/74/73/725747473.db2.gz LZUDCPSWIRUDQW-WMZOPIPTSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992364307 725747475 /nfs/dbraw/zinc/74/74/75/725747475.db2.gz LZUDCPSWIRUDQW-WMZOPIPTSA-N 2 2 339.911 2.584 20 30 EFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993488859 727292222 /nfs/dbraw/zinc/29/22/22/727292222.db2.gz HLKCHHKLWWPQAJ-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993488859 727292224 /nfs/dbraw/zinc/29/22/24/727292224.db2.gz HLKCHHKLWWPQAJ-DLBZAZTESA-N 2 2 332.492 2.862 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993534538 727299991 /nfs/dbraw/zinc/29/99/91/727299991.db2.gz HTDCVBNFOABTCY-CZUORRHYSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993534538 727299992 /nfs/dbraw/zinc/29/99/92/727299992.db2.gz HTDCVBNFOABTCY-CZUORRHYSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993615993 727326865 /nfs/dbraw/zinc/32/68/65/727326865.db2.gz PSCQDGNOAGGAME-XJKSGUPXSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993615993 727326867 /nfs/dbraw/zinc/32/68/67/727326867.db2.gz PSCQDGNOAGGAME-XJKSGUPXSA-N 2 2 332.835 2.670 20 30 EFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994130315 727600526 /nfs/dbraw/zinc/60/05/26/727600526.db2.gz WZWRMIILNWFKTR-RDJZCZTQSA-N 2 2 341.927 2.828 20 30 EFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994130315 727600527 /nfs/dbraw/zinc/60/05/27/727600527.db2.gz WZWRMIILNWFKTR-RDJZCZTQSA-N 2 2 341.927 2.828 20 30 EFEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000917069054 727763869 /nfs/dbraw/zinc/76/38/69/727763869.db2.gz FLABDAYCZFOYNB-UHFFFAOYSA-N 2 2 329.488 2.536 20 30 EFEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000917069054 727763870 /nfs/dbraw/zinc/76/38/70/727763870.db2.gz FLABDAYCZFOYNB-UHFFFAOYSA-N 2 2 329.488 2.536 20 30 EFEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991475943 727889053 /nfs/dbraw/zinc/88/90/53/727889053.db2.gz UPDSTVGJZLEOFC-ILZDJORESA-N 2 2 342.487 2.525 20 30 EFEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991475943 727889056 /nfs/dbraw/zinc/88/90/56/727889056.db2.gz UPDSTVGJZLEOFC-ILZDJORESA-N 2 2 342.487 2.525 20 30 EFEDLP CNC(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)=[NH+]C ZINC000058185087 728149755 /nfs/dbraw/zinc/14/97/55/728149755.db2.gz LLYPNSVOTLEWDA-MRXNPFEDSA-N 2 2 328.485 2.642 20 30 EFEDLP CNC(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)=[NH+]C ZINC000058185087 728149756 /nfs/dbraw/zinc/14/97/56/728149756.db2.gz LLYPNSVOTLEWDA-MRXNPFEDSA-N 2 2 328.485 2.642 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991630560 728182845 /nfs/dbraw/zinc/18/28/45/728182845.db2.gz ZQBPHQAIKSJEPP-SJLPKXTDSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991630560 728182849 /nfs/dbraw/zinc/18/28/49/728182849.db2.gz ZQBPHQAIKSJEPP-SJLPKXTDSA-N 2 2 344.846 2.814 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771179 728309244 /nfs/dbraw/zinc/30/92/44/728309244.db2.gz HLVXKXRFAHNMJB-LSDHHAIUSA-N 2 2 338.883 2.728 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771179 728309246 /nfs/dbraw/zinc/30/92/46/728309246.db2.gz HLVXKXRFAHNMJB-LSDHHAIUSA-N 2 2 338.883 2.728 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942285943 728390178 /nfs/dbraw/zinc/39/01/78/728390178.db2.gz GIHOVRCUJIQKNL-BLLLJJGKSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942285943 728390180 /nfs/dbraw/zinc/39/01/80/728390180.db2.gz GIHOVRCUJIQKNL-BLLLJJGKSA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942285949 728390271 /nfs/dbraw/zinc/39/02/71/728390271.db2.gz GIHOVRCUJIQKNL-WBMJQRKESA-N 2 2 332.835 2.527 20 30 EFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942285949 728390273 /nfs/dbraw/zinc/39/02/73/728390273.db2.gz GIHOVRCUJIQKNL-WBMJQRKESA-N 2 2 332.835 2.527 20 30 EFEDLP