smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1ccccc1)[C@H]1[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000030879661 291333110 /nfs/dbraw/zinc/33/31/10/291333110.db2.gz NZGQZEPGVHMYQD-FUMNGEBKSA-N 1 1 438.446 2.056 40 0 biogenic,in-vitro IEABMO CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000003841946 291332453 /nfs/dbraw/zinc/33/24/53/291332453.db2.gz PVENJHYCYOOJPY-ZWKOTPCHSA-N 1 1 433.556 2.459 40 0 biogenic,in-vitro IEABMO COc1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)C[NH+](C)C)c2=O)cc1 ZINC000005413340 291335672 /nfs/dbraw/zinc/33/56/72/291335672.db2.gz SFJPNLGKONOFRB-JKSUJKDBSA-N 1 1 439.516 2.008 40 0 biogenic,in-vitro IEABMO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000223217399 193953314 /nfs/dbraw/zinc/95/33/14/193953314.db2.gz IRAJZAPBARJHQJ-UHFFFAOYSA-N 1 1 445.585 2.223 40 0 IEABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000022246953 521668770 /nfs/dbraw/zinc/66/87/70/521668770.db2.gz GBYWZZNQHWHXRX-FQEVSTJZSA-N 1 1 445.585 2.057 40 0 IEABMO COc1cc(OC)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1NC(C)=O ZINC000036054961 522828953 /nfs/dbraw/zinc/82/89/53/522828953.db2.gz ZRIPGDAFLADHRH-UHFFFAOYSA-N 1 1 425.551 2.301 40 0 IEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000022532187 523166542 /nfs/dbraw/zinc/16/65/42/523166542.db2.gz MYUSUXHKAZCNSV-QGZVFWFLSA-N 1 1 428.574 2.209 40 0 IEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020452217 523171546 /nfs/dbraw/zinc/17/15/46/523171546.db2.gz KHTRKHROJVSFBI-OAQYLSRUSA-N 1 1 437.606 2.233 40 0 IEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 ZINC000022513904 527370310 /nfs/dbraw/zinc/37/03/10/527370310.db2.gz ISSMNPKFEDHYGA-UHFFFAOYSA-N 1 1 442.541 2.267 40 0 IEABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408618930 555982463 /nfs/dbraw/zinc/98/24/63/555982463.db2.gz GTWOBWZMMWYDKB-GOSISDBHSA-N 1 1 431.558 2.097 40 0 IEABMO C[N@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922726 556341422 /nfs/dbraw/zinc/34/14/22/556341422.db2.gz PWEMAMTYRCBRTQ-PWWKTKHKSA-N 1 1 432.568 2.429 40 0 biogenic,in-vitro IEABMO CN1[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922726 556341425 /nfs/dbraw/zinc/34/14/25/556341425.db2.gz PWEMAMTYRCBRTQ-PWWKTKHKSA-N 1 1 432.568 2.429 40 0 biogenic,in-vitro IEABMO CN1[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922726 556341428 /nfs/dbraw/zinc/34/14/28/556341428.db2.gz PWEMAMTYRCBRTQ-PWWKTKHKSA-N 1 1 432.568 2.429 40 0 biogenic,in-vitro IEABMO COc1ccccc1-c1c2c(ccn(CCC[NH+]3CCN(C)CC3)c2=O)nc2nc(C)nn21 ZINC000040398461 556640273 /nfs/dbraw/zinc/64/02/73/556640273.db2.gz WRZPTKXDOMIOHW-UHFFFAOYSA-N 1 1 447.543 2.061 40 0 IEABMO COc1cccc(-c2c3c(ccn(CCC[NH+]4CCN(C)CC4)c3=O)nc3nc(C)nn32)c1 ZINC000040398522 556640316 /nfs/dbraw/zinc/64/03/16/556640316.db2.gz SMLBQDRRGSIAAY-UHFFFAOYSA-N 1 1 447.543 2.061 40 0 IEABMO Cc1nc(N)cc(N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)[nH+]1 ZINC000019240913 556726648 /nfs/dbraw/zinc/72/66/48/556726648.db2.gz MIQKPJLANBAZPW-GOSISDBHSA-N 1 1 432.532 2.440 40 0 IEABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)cn1 ZINC000019290683 556730902 /nfs/dbraw/zinc/73/09/02/556730902.db2.gz UEPCTNKWLSYJKH-MRXNPFEDSA-N 1 1 438.557 2.143 40 0 IEABMO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019336306 556738544 /nfs/dbraw/zinc/73/85/44/556738544.db2.gz XEOWKWLOCQJPSD-UAGQMJEPSA-N 1 1 433.965 2.098 40 0 IEABMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019336306 556738546 /nfs/dbraw/zinc/73/85/46/556738546.db2.gz XEOWKWLOCQJPSD-UAGQMJEPSA-N 1 1 433.965 2.098 40 0 IEABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](Cc4ccccn4)C3)nc2C1 ZINC000019347691 556743518 /nfs/dbraw/zinc/74/35/18/556743518.db2.gz YNHKFVKFUIEBJX-MRXNPFEDSA-N 1 1 433.487 2.492 40 0 IEABMO O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019348119 556743744 /nfs/dbraw/zinc/74/37/44/556743744.db2.gz SZHGINGLXVLUIE-OAQYLSRUSA-N 1 1 440.519 2.352 40 0 IEABMO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019370117 556747500 /nfs/dbraw/zinc/74/75/00/556747500.db2.gz WBILYPXEHNDLGX-HXUWFJFHSA-N 1 1 429.524 2.282 40 0 IEABMO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019370117 556747501 /nfs/dbraw/zinc/74/75/01/556747501.db2.gz WBILYPXEHNDLGX-HXUWFJFHSA-N 1 1 429.524 2.282 40 0 IEABMO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372529 556749158 /nfs/dbraw/zinc/74/91/58/556749158.db2.gz OWFUCPOJLPGLBM-PWRODBHTSA-N 1 1 444.528 2.060 40 0 IEABMO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372529 556749160 /nfs/dbraw/zinc/74/91/60/556749160.db2.gz OWFUCPOJLPGLBM-PWRODBHTSA-N 1 1 444.528 2.060 40 0 IEABMO O=C(CC[NH2+][C@H]1C=CS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000019374522 556750867 /nfs/dbraw/zinc/75/08/67/556750867.db2.gz NXMJNBTVJSKTLG-KRWDZBQOSA-N 1 1 426.542 2.011 40 0 IEABMO COc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1OC ZINC000019448255 556757461 /nfs/dbraw/zinc/75/74/61/556757461.db2.gz WFVLGALOKATVNI-IBGZPJMESA-N 1 1 440.544 2.460 40 0 IEABMO COc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H](C(=O)NC(C)C)C[N@H+]3C)CC2)cc1F ZINC000019449762 556760677 /nfs/dbraw/zinc/76/06/77/556760677.db2.gz LCVYUFBTBAOGQV-LPHOPBHVSA-N 1 1 441.569 2.080 40 0 IEABMO CCOCc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)ccc1OC ZINC000019531185 556791793 /nfs/dbraw/zinc/79/17/93/556791793.db2.gz ICWPOCVEVSKHER-UHFFFAOYSA-N 1 1 428.533 2.165 40 0 IEABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)ccc1OC ZINC000019531980 556792240 /nfs/dbraw/zinc/79/22/40/556792240.db2.gz JHXPUTRDRVCNBH-SFHVURJKSA-N 1 1 428.533 2.393 40 0 IEABMO Cc1c2ccccc2oc1C[N@@H+]1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019566375 556807088 /nfs/dbraw/zinc/80/70/88/556807088.db2.gz SANKSHXRHWBJNL-GOSISDBHSA-N 1 1 442.541 2.479 40 0 IEABMO Cc1c2ccccc2oc1C[N@H+]1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019566375 556807090 /nfs/dbraw/zinc/80/70/90/556807090.db2.gz SANKSHXRHWBJNL-GOSISDBHSA-N 1 1 442.541 2.479 40 0 IEABMO COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C1)CO2 ZINC000019590214 556825310 /nfs/dbraw/zinc/82/53/10/556825310.db2.gz VLERZGFULWJPFQ-HNNXBMFYSA-N 1 1 436.512 2.361 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@H+](Cc3ccncc3)C1)C2=O ZINC000019699658 556859450 /nfs/dbraw/zinc/85/94/50/556859450.db2.gz SSQMZOBEGIYUHL-OAQYLSRUSA-N 1 1 447.539 2.273 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@@H+](Cc3ccncc3)C1)C2=O ZINC000019699658 556859454 /nfs/dbraw/zinc/85/94/54/556859454.db2.gz SSQMZOBEGIYUHL-OAQYLSRUSA-N 1 1 447.539 2.273 40 0 IEABMO Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(C(=O)C[N@H+](C)Cc1ccc(F)cc1)C2 ZINC000019701390 556861512 /nfs/dbraw/zinc/86/15/12/556861512.db2.gz RTQZMHOZDXPSEQ-QGZVFWFLSA-N 1 1 442.520 2.212 40 0 IEABMO Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(C(=O)C[N@@H+](C)Cc1ccc(F)cc1)C2 ZINC000019701390 556861514 /nfs/dbraw/zinc/86/15/14/556861514.db2.gz RTQZMHOZDXPSEQ-QGZVFWFLSA-N 1 1 442.520 2.212 40 0 IEABMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000019708147 556868441 /nfs/dbraw/zinc/86/84/41/556868441.db2.gz BYTPDJMJJQPDLG-SFHVURJKSA-N 1 1 445.589 2.278 40 0 IEABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccncc4)CCO3)nc3ccccc32)CC1 ZINC000019759177 556902998 /nfs/dbraw/zinc/90/29/98/556902998.db2.gz KZEJBBKRIOOAMY-HSZRJFAPSA-N 1 1 445.523 2.231 40 0 IEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccnn4[C@H]4CCCCO4)C[C@H]32)c(OC)n1 ZINC000072392629 556963930 /nfs/dbraw/zinc/96/39/30/556963930.db2.gz VZNZLVZGEPVXTE-DJZBOODTSA-N 1 1 429.521 2.119 40 0 IEABMO COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](CC4=CCCOC4)C3)cc(=O)[nH]2)CC1 ZINC000072399217 556971825 /nfs/dbraw/zinc/97/18/25/556971825.db2.gz ZXVBNRBIQZERKL-FQEVSTJZSA-N 1 1 444.576 2.039 40 0 IEABMO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(OC)cc(OC)c1)CC2 ZINC000585103735 557036356 /nfs/dbraw/zinc/03/63/56/557036356.db2.gz ITZJUDSXRABGNU-SFTDATJTSA-N 1 1 446.544 2.353 40 0 IEABMO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(OC)cc(OC)c1)CC2 ZINC000585103735 557036360 /nfs/dbraw/zinc/03/63/60/557036360.db2.gz ITZJUDSXRABGNU-SFTDATJTSA-N 1 1 446.544 2.353 40 0 IEABMO COc1cncc(-c2ccc3c(c2)C2(CN3C(=O)CN3CC[NH+](C)CC3)CCOCC2)c1 ZINC000585105754 557037440 /nfs/dbraw/zinc/03/74/40/557037440.db2.gz IVANSSUJDCSTFC-UHFFFAOYSA-N 1 1 436.556 2.399 40 0 IEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409324528 557067008 /nfs/dbraw/zinc/06/70/08/557067008.db2.gz UQIVUEMDQMGDBL-UHFFFAOYSA-N 1 1 433.549 2.489 40 0 IEABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccnnc4)CC3)c3ccccc32)CC1 ZINC000096052955 557166510 /nfs/dbraw/zinc/16/65/10/557166510.db2.gz POEPLUHWAMFGJV-HXUWFJFHSA-N 1 1 433.556 2.302 40 0 IEABMO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056164 557167266 /nfs/dbraw/zinc/16/72/66/557167266.db2.gz PTLMZNMVNPSWDJ-UGKGYDQZSA-N 1 1 427.574 2.116 40 0 IEABMO Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000096056168 557167584 /nfs/dbraw/zinc/16/75/84/557167584.db2.gz HFGDVICSVSCESR-CVDCTZTESA-N 1 1 441.601 2.424 40 0 IEABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144410 557172375 /nfs/dbraw/zinc/17/23/75/557172375.db2.gz PRNQZZXZUIVIIV-XMMPIXPASA-N 1 1 425.577 2.434 40 0 IEABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CCOCC3)cn21 ZINC000096156798 557182067 /nfs/dbraw/zinc/18/20/67/557182067.db2.gz HSHDQEPGSKUZHL-OAQYLSRUSA-N 1 1 440.592 2.363 40 0 IEABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(S(=O)(=O)CC(C)C)CC3)C1=O ZINC000096262673 557189897 /nfs/dbraw/zinc/18/98/97/557189897.db2.gz LSVYNPUKEJFRRD-HSZRJFAPSA-N 1 1 448.633 2.204 40 0 IEABMO CC(=O)CN1CC2(CC[NH+](Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263558 557191264 /nfs/dbraw/zinc/19/12/64/557191264.db2.gz ZKPXUIHLLQYGMD-UHFFFAOYSA-N 1 1 429.542 2.336 40 0 IEABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Oc2ncccn2)c1 ZINC000585261753 557196663 /nfs/dbraw/zinc/19/66/63/557196663.db2.gz GKOFANALOQCNCY-OAQYLSRUSA-N 1 1 431.496 2.342 40 0 IEABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Oc2ncccn2)c1 ZINC000585261753 557196665 /nfs/dbraw/zinc/19/66/65/557196665.db2.gz GKOFANALOQCNCY-OAQYLSRUSA-N 1 1 431.496 2.342 40 0 IEABMO COCCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000585262445 557202285 /nfs/dbraw/zinc/20/22/85/557202285.db2.gz OCUYWQDVVPTMBY-HTDNTCHWSA-N 1 1 446.519 2.368 40 0 IEABMO Cc1ccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)cc1 ZINC000585281850 557220119 /nfs/dbraw/zinc/22/01/19/557220119.db2.gz CLXLHKOAJMYXGJ-ZCYQVOJMSA-N 1 1 444.547 2.342 40 0 IEABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)CC1 ZINC000585281825 557220160 /nfs/dbraw/zinc/22/01/60/557220160.db2.gz BPLLFMSVPCOAPB-FPOVZHCZSA-N 1 1 426.941 2.446 40 0 IEABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 ZINC000585287178 557225480 /nfs/dbraw/zinc/22/54/80/557225480.db2.gz KFDOOKYHICSMNO-ICSRJNTNSA-N 1 1 430.904 2.277 40 0 IEABMO COc1cccc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000220164911 557283215 /nfs/dbraw/zinc/28/32/15/557283215.db2.gz ARTNTHBJYFFCFB-SFHVURJKSA-N 1 1 431.558 2.194 40 0 IEABMO CC[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000023423233 557314367 /nfs/dbraw/zinc/31/43/67/557314367.db2.gz UNJDGSSBLORCOI-UHFFFAOYSA-N 1 1 429.586 2.393 40 0 IEABMO CC[NH+]1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 ZINC000026113785 557440830 /nfs/dbraw/zinc/44/08/30/557440830.db2.gz XAFCVVHAVIICLF-HXUWFJFHSA-N 1 1 449.960 2.460 40 0 IEABMO COCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824367 557508563 /nfs/dbraw/zinc/50/85/63/557508563.db2.gz UWULMURQHWDMRW-UHFFFAOYSA-N 1 1 446.617 2.190 40 0 IEABMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224559114 557623399 /nfs/dbraw/zinc/62/33/99/557623399.db2.gz LVKMOHORJDGCQB-QGZVFWFLSA-N 1 1 449.548 2.129 40 0 IEABMO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc21 ZINC000224588233 557627820 /nfs/dbraw/zinc/62/78/20/557627820.db2.gz PKMGJESXCRKEHU-UHFFFAOYSA-N 1 1 443.569 2.296 40 0 IEABMO Cc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1N1CCCC1=O ZINC000224735855 557645571 /nfs/dbraw/zinc/64/55/71/557645571.db2.gz IZDKWXHKDNGPEY-UHFFFAOYSA-N 1 1 443.569 2.433 40 0 IEABMO Cc1cccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224744727 557646880 /nfs/dbraw/zinc/64/68/80/557646880.db2.gz FLMDODCBVRUEJD-IBGZPJMESA-N 1 1 445.585 2.298 40 0 IEABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224761681 557648855 /nfs/dbraw/zinc/64/88/55/557648855.db2.gz ZZXIKHXNXDAWCG-UHFFFAOYSA-N 1 1 435.521 2.188 40 0 IEABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224783320 557651020 /nfs/dbraw/zinc/65/10/20/557651020.db2.gz NJEJCSSFPPIMOC-UHFFFAOYSA-N 1 1 431.558 2.212 40 0 IEABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225212098 557700840 /nfs/dbraw/zinc/70/08/40/557700840.db2.gz BYPMINHKVLJGJV-MRXNPFEDSA-N 1 1 437.562 2.282 40 0 IEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225560501 557742369 /nfs/dbraw/zinc/74/23/69/557742369.db2.gz ARYVCNJDILYGSA-UHFFFAOYSA-N 1 1 440.525 2.132 40 0 IEABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1cnccn1 ZINC000585262313 568616399 /nfs/dbraw/zinc/61/63/99/568616399.db2.gz SWUXLXLZZRRQLZ-AZOUXBGGSA-N 1 1 430.508 2.214 40 0 IEABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1cnccn1 ZINC000585262313 568616403 /nfs/dbraw/zinc/61/64/03/568616403.db2.gz SWUXLXLZZRRQLZ-AZOUXBGGSA-N 1 1 430.508 2.214 40 0 IEABMO OC1(C[N@H+]2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585286030 568618924 /nfs/dbraw/zinc/61/89/24/568618924.db2.gz GYPLOCYCHBARBT-DEOSSOPVSA-N 1 1 430.520 2.299 40 0 IEABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585287774 568619523 /nfs/dbraw/zinc/61/95/23/568619523.db2.gz RAIVCLYPSMPJEP-VWLOTQADSA-N 1 1 426.557 2.469 40 0 IEABMO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@](O)(Cn3cccn3)C2)cc1NCc1cccnc1 ZINC000257249721 568688447 /nfs/dbraw/zinc/68/84/47/568688447.db2.gz JJMWOZUFSLDVLM-DEOSSOPVSA-N 1 1 434.544 2.018 40 0 IEABMO CCc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257263962 568694949 /nfs/dbraw/zinc/69/49/49/568694949.db2.gz LSGRYHKPBMFEHD-MQSCRBSSSA-N 1 1 426.561 2.167 40 0 IEABMO CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)[nH]n2)cc1 ZINC000257273409 568699243 /nfs/dbraw/zinc/69/92/43/568699243.db2.gz NGLRIMJNPZPBRA-YPAWHYETSA-N 1 1 428.533 2.162 40 0 IEABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000257283531 568703859 /nfs/dbraw/zinc/70/38/59/568703859.db2.gz OYSZZEIMELYQBQ-HXUWFJFHSA-N 1 1 439.560 2.110 40 0 IEABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC000257285741 568704803 /nfs/dbraw/zinc/70/48/03/568704803.db2.gz PIPIKWOERKBEKD-IKVZYYAVSA-N 1 1 436.556 2.424 40 0 IEABMO COc1cccc(C[N@H+](C)CC(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c1 ZINC000257340070 568728787 /nfs/dbraw/zinc/72/87/87/568728787.db2.gz ZEHXJDJNDVWKDS-QFIPXVFZSA-N 1 1 448.527 2.161 40 0 IEABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c1 ZINC000257340070 568728788 /nfs/dbraw/zinc/72/87/88/568728788.db2.gz ZEHXJDJNDVWKDS-QFIPXVFZSA-N 1 1 448.527 2.161 40 0 IEABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)CCn4cc[nH+]c4C)CCO3)c2)cn1 ZINC000257340793 568728987 /nfs/dbraw/zinc/72/89/87/568728987.db2.gz ZHOPXBWETBVEHH-QFIPXVFZSA-N 1 1 448.527 2.307 40 0 IEABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3cccc(Cl)c3)C2)cs1 ZINC000306123366 568762848 /nfs/dbraw/zinc/76/28/48/568762848.db2.gz ALFXJEOIJNIDMF-NRFANRHFSA-N 1 1 443.960 2.419 40 0 IEABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4cnn(C)c4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125497 568763793 /nfs/dbraw/zinc/76/37/93/568763793.db2.gz CSOACUNZUPNPRK-NOZRDPDXSA-N 1 1 447.539 2.221 40 0 IEABMO COCCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2ccccc2)CC4)CC1 ZINC000306126845 568764471 /nfs/dbraw/zinc/76/44/71/568764471.db2.gz FGWMSZJGGBNKAT-UHFFFAOYSA-N 1 1 436.556 2.003 40 0 IEABMO COc1ncccc1C[N@H+]1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306139316 568771234 /nfs/dbraw/zinc/77/12/34/568771234.db2.gz SUKKVFXLXVYMIQ-WIOPSUGQSA-N 1 1 445.523 2.277 40 0 IEABMO C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCC[NH+]1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000253596383 569208987 /nfs/dbraw/zinc/20/89/87/569208987.db2.gz QRNRQACHRGPSAP-NZUPQLOKSA-N 1 1 427.545 2.170 40 0 IEABMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702092 569231573 /nfs/dbraw/zinc/23/15/73/569231573.db2.gz VCMAVIWGTPDDFR-INIZCTEOSA-N 1 1 430.574 2.426 40 0 IEABMO CCN(CC)C(=O)C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702092 569231575 /nfs/dbraw/zinc/23/15/75/569231575.db2.gz VCMAVIWGTPDDFR-INIZCTEOSA-N 1 1 430.574 2.426 40 0 IEABMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CC[C@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@H]3C[C@H]12 ZINC000008681865 569470018 /nfs/dbraw/zinc/47/00/18/569470018.db2.gz TTZWEOINXHJHCY-WJCGARMQSA-N 1 1 428.485 2.080 40 0 biogenic IEABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(S(=O)(=O)C4CC4)CC3)c3ccccc32)CC1 ZINC000096242262 193941379 /nfs/dbraw/zinc/94/13/79/193941379.db2.gz CKFOBFTWOSZJMJ-SFHVURJKSA-N 1 1 431.602 2.164 40 0 IEABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCC(N)=O ZINC000012275574 520697520 /nfs/dbraw/zinc/69/75/20/520697520.db2.gz JHLQYFXDYHIAOP-QGZVFWFLSA-N 1 1 438.532 2.262 40 0 IEABMO CCOC(=O)C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000020462813 520854966 /nfs/dbraw/zinc/85/49/66/520854966.db2.gz YOBNUNVGFZSMNU-BJLQDIEVSA-N 1 1 430.549 2.450 40 0 biogenic,in-vitro IEABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000022247777 521208077 /nfs/dbraw/zinc/20/80/77/521208077.db2.gz DQMFGWCDTYJTQQ-JOCHJYFZSA-N 1 1 445.585 2.139 40 0 IEABMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccc(NC(C)=O)cc1 ZINC000012402748 522865530 /nfs/dbraw/zinc/86/55/30/522865530.db2.gz GBZNBHUOKKUAFS-SFTDATJTSA-N 1 1 428.485 2.237 40 0 IEABMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@H](C(=O)OC)[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000012402749 522866497 /nfs/dbraw/zinc/86/64/97/522866497.db2.gz GBZNBHUOKKUAFS-RTWAWAEBSA-N 1 1 428.485 2.237 40 0 IEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC(C)(C)C)[N@H+]2C)cc1 ZINC000035442417 524048453 /nfs/dbraw/zinc/04/84/53/524048453.db2.gz ZJDKSVQPQOMXGQ-DWLFOUALSA-N 1 1 430.593 2.011 40 0 biogenic,in-vitro IEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@@H+]3CC(C)(C)C)N2C)cc1 ZINC000035442417 524048455 /nfs/dbraw/zinc/04/84/55/524048455.db2.gz ZJDKSVQPQOMXGQ-DWLFOUALSA-N 1 1 430.593 2.011 40 0 biogenic,in-vitro IEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@H+]3CC(C)(C)C)N2C)cc1 ZINC000035442417 524048457 /nfs/dbraw/zinc/04/84/57/524048457.db2.gz ZJDKSVQPQOMXGQ-DWLFOUALSA-N 1 1 430.593 2.011 40 0 biogenic,in-vitro IEABMO COc1cccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)c1 ZINC000020492654 526134358 /nfs/dbraw/zinc/13/43/58/526134358.db2.gz QZKZZDYPMJDGSY-UHFFFAOYSA-N 1 1 428.514 2.272 40 0 IEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000408526760 555715993 /nfs/dbraw/zinc/71/59/93/555715993.db2.gz CFJGGKJMPYQZDH-UHFFFAOYSA-N 1 1 443.569 2.371 40 0 IEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)CC1 ZINC000408586837 555939485 /nfs/dbraw/zinc/93/94/85/555939485.db2.gz CBYJMUYYZAUFLC-UHFFFAOYSA-N 1 1 443.569 2.289 40 0 IEABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408596918 555964525 /nfs/dbraw/zinc/96/45/25/555964525.db2.gz UZSUJSZTIRIVGD-FQEVSTJZSA-N 1 1 435.977 2.394 40 0 IEABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000008971801 556237545 /nfs/dbraw/zinc/23/75/45/556237545.db2.gz CBPOOYULSIEABU-CRJFVVSASA-N 1 1 441.459 2.147 40 0 IEABMO NS(=O)(=O)OC[C@@H]1C[C@H](n2ccc3c2nc[nH+]c3N[C@H]2CCc3ccccc32)C[C@H]1O ZINC000169303181 556339083 /nfs/dbraw/zinc/33/90/83/556339083.db2.gz MPUQHZXIXSTTDU-STEAMIEHSA-N 1 1 443.529 2.063 40 0 IEABMO COc1ccc(CN2C(=O)C[C@@H]([NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000015024116 556488769 /nfs/dbraw/zinc/48/87/69/556488769.db2.gz FTYSTLICGKAMBN-OAQYLSRUSA-N 1 1 439.487 2.356 40 0 IEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000030866482 556512511 /nfs/dbraw/zinc/51/25/11/556512511.db2.gz AYTQGBZMSRSAJI-HXUWFJFHSA-N 1 1 426.498 2.024 40 0 IEABMO Cc1ccc(Cl)cc1N(CCCC(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000013676981 556554835 /nfs/dbraw/zinc/55/48/35/556554835.db2.gz ABWYBZPKFICOBW-UHFFFAOYSA-N 1 1 431.986 2.033 40 0 IEABMO Cc1cccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000013680516 556556376 /nfs/dbraw/zinc/55/63/76/556556376.db2.gz AITDQXUYPSVOBP-UHFFFAOYSA-N 1 1 445.585 2.413 40 0 IEABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[C@@H](CCOc4ccccc41)O3)[N@H+](CC1CC1)C2 ZINC000514287447 556624367 /nfs/dbraw/zinc/62/43/67/556624367.db2.gz CQYVBULVNDDQMK-IWFBPKFRSA-N 1 1 427.545 2.106 40 0 IEABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[C@@H](CCOc4ccccc41)O3)[N@@H+](CC1CC1)C2 ZINC000514287447 556624372 /nfs/dbraw/zinc/62/43/72/556624372.db2.gz CQYVBULVNDDQMK-IWFBPKFRSA-N 1 1 427.545 2.106 40 0 IEABMO CC[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NCCOC)C(=O)C1 ZINC000514287494 556624430 /nfs/dbraw/zinc/62/44/30/556624430.db2.gz GHJRBHIQDURWOO-LQVMRVBZSA-N 1 1 429.561 2.075 40 0 IEABMO CC[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NCCOC)C(=O)C1 ZINC000514287494 556624432 /nfs/dbraw/zinc/62/44/32/556624432.db2.gz GHJRBHIQDURWOO-LQVMRVBZSA-N 1 1 429.561 2.075 40 0 IEABMO COc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(C)(=O)=O ZINC000044901675 556677960 /nfs/dbraw/zinc/67/79/60/556677960.db2.gz YBJDITNNAJCFBA-UHFFFAOYSA-N 1 1 428.514 2.272 40 0 IEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000018217556 556687372 /nfs/dbraw/zinc/68/73/72/556687372.db2.gz JYZWHCREGODZPH-UHFFFAOYSA-N 1 1 443.569 2.233 40 0 IEABMO 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C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750685 569328366 /nfs/dbraw/zinc/32/83/66/569328366.db2.gz JAKAOWFVMKJEBC-HSZRJFAPSA-N 1 1 444.535 2.294 40 0 IEABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750685 569328367 /nfs/dbraw/zinc/32/83/67/569328367.db2.gz JAKAOWFVMKJEBC-HSZRJFAPSA-N 1 1 444.535 2.294 40 0 IEABMO C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000005410405 291332476 /nfs/dbraw/zinc/33/24/76/291332476.db2.gz HAFSHPGCWNAKCC-LSDHHAIUSA-N 1 1 427.480 2.139 40 0 biogenic,in-vitro IEABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1C ZINC000022247399 521205605 /nfs/dbraw/zinc/20/56/05/521205605.db2.gz QSJNCJLQEJHIHT-NRFANRHFSA-N 1 1 445.585 2.057 40 0 IEABMO CC[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022231322 521663386 /nfs/dbraw/zinc/66/33/86/521663386.db2.gz BNYFUPBQHRNIAT-UHFFFAOYSA-N 1 1 431.558 2.196 40 0 IEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020452219 523020727 /nfs/dbraw/zinc/02/07/27/523020727.db2.gz KHTRKHROJVSFBI-NRFANRHFSA-N 1 1 437.606 2.233 40 0 IEABMO COCC[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000012327175 523860197 /nfs/dbraw/zinc/86/01/97/523860197.db2.gz RRAWLKRRHSKAFU-UHFFFAOYSA-N 1 1 436.604 2.404 40 0 IEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@H+]3C3CCCCC3)N2C)cc1 ZINC000035442420 524048250 /nfs/dbraw/zinc/04/82/50/524048250.db2.gz YLUJEQGMVPYKRW-FJIJXJHWSA-N 1 1 442.604 2.297 40 0 biogenic,in-vitro IEABMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000408556840 555894538 /nfs/dbraw/zinc/89/45/38/555894538.db2.gz DULSYSYNCCRKJL-UHFFFAOYSA-N 1 1 443.997 2.304 40 0 IEABMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408598079 555956218 /nfs/dbraw/zinc/95/62/18/555956218.db2.gz ZLYMFCHCRGNGIK-OAQYLSRUSA-N 1 1 445.585 2.079 40 0 IEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)C2CCCCC2)cc1 ZINC000408623170 555991419 /nfs/dbraw/zinc/99/14/19/555991419.db2.gz RKMWBCNQZDBZLJ-UHFFFAOYSA-N 1 1 437.606 2.157 40 0 IEABMO CC[NH+]1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000408635935 556014279 /nfs/dbraw/zinc/01/42/79/556014279.db2.gz JYORZVYGJVYKPN-UHFFFAOYSA-N 1 1 437.606 2.491 40 0 IEABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)CC1 ZINC000408700735 556103184 /nfs/dbraw/zinc/10/31/84/556103184.db2.gz LCNILFUMTMASAP-UHFFFAOYSA-N 1 1 437.606 2.383 40 0 IEABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)CC1 ZINC000408700978 556106125 /nfs/dbraw/zinc/10/61/25/556106125.db2.gz PMATZYHRXHXQPM-LJQANCHMSA-N 1 1 437.606 2.383 40 0 IEABMO C[N@@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000022922964 556341496 /nfs/dbraw/zinc/34/14/96/556341496.db2.gz VMZWOVDYQXXGDY-DWLFOUALSA-N 1 1 426.586 2.218 40 0 biogenic,in-vitro IEABMO C[N@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000022922964 556341499 /nfs/dbraw/zinc/34/14/99/556341499.db2.gz VMZWOVDYQXXGDY-DWLFOUALSA-N 1 1 426.586 2.218 40 0 biogenic,in-vitro IEABMO CC(=O)c1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)c1 ZINC000030852777 556509266 /nfs/dbraw/zinc/50/92/66/556509266.db2.gz DUNUBEYTXLJACS-UHFFFAOYSA-N 1 1 440.525 2.466 40 0 IEABMO CCc1nc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3c(-c3ccc(OC)cc3)n2n1 ZINC000038828811 556620727 /nfs/dbraw/zinc/62/07/27/556620727.db2.gz VYSMCYWEOOBVEO-UHFFFAOYSA-N 1 1 448.527 2.400 40 0 IEABMO O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289454 556623512 /nfs/dbraw/zinc/62/35/12/556623512.db2.gz LHKIBNMQXQZPLY-WOJBJXKFSA-N 1 1 446.473 2.246 40 0 biogenic,in-vitro IEABMO O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289454 556623515 /nfs/dbraw/zinc/62/35/15/556623515.db2.gz LHKIBNMQXQZPLY-WOJBJXKFSA-N 1 1 446.473 2.246 40 0 biogenic,in-vitro IEABMO O=C(N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)C1CCCC1 ZINC000514289354 556625863 /nfs/dbraw/zinc/62/58/63/556625863.db2.gz RCAADQWBHYOETF-SLFFLAALSA-N 1 1 441.494 2.262 40 0 biogenic,in-vitro IEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000044904386 556679258 /nfs/dbraw/zinc/67/92/58/556679258.db2.gz GZWRFACFHCJPQJ-UHFFFAOYSA-N 1 1 445.520 2.249 40 0 IEABMO Cc1ccsc1C[N@@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019238713 556724120 /nfs/dbraw/zinc/72/41/20/556724120.db2.gz ODZOXJSOHWBAHU-ROUUACIJSA-N 1 1 429.590 2.423 40 0 IEABMO Cn1nc(C(=O)N2C[C@H](c3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCCC[C@H]32)ccc1=O ZINC000019288505 556728559 /nfs/dbraw/zinc/72/85/59/556728559.db2.gz IUIVLKSVDWGYIR-MQSCRBSSSA-N 1 1 436.556 2.411 40 0 IEABMO O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019293503 556732947 /nfs/dbraw/zinc/73/29/47/556732947.db2.gz YBFHULVVHLWQSA-GOSISDBHSA-N 1 1 433.487 2.492 40 0 IEABMO O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019293503 556732949 /nfs/dbraw/zinc/73/29/49/556732949.db2.gz YBFHULVVHLWQSA-GOSISDBHSA-N 1 1 433.487 2.492 40 0 IEABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc2C1 ZINC000019347697 556743433 /nfs/dbraw/zinc/74/34/33/556743433.db2.gz KXGSNQFBLMTAOF-KRWDZBQOSA-N 1 1 433.487 2.492 40 0 IEABMO O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019370119 556747491 /nfs/dbraw/zinc/74/74/91/556747491.db2.gz WBILYPXEHNDLGX-FQEVSTJZSA-N 1 1 429.524 2.282 40 0 IEABMO O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019370119 556747494 /nfs/dbraw/zinc/74/74/94/556747494.db2.gz WBILYPXEHNDLGX-FQEVSTJZSA-N 1 1 429.524 2.282 40 0 IEABMO CCSc1ncc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)oc3=O)CC2)cn1 ZINC000057773367 556748777 /nfs/dbraw/zinc/74/87/77/556748777.db2.gz DVBKCWCODFSSRE-UHFFFAOYSA-N 1 1 433.559 2.494 40 0 IEABMO O=C(c1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCn2cnnc2C1 ZINC000019372517 556749184 /nfs/dbraw/zinc/74/91/84/556749184.db2.gz AGGXLXWPCRPPRP-NHCUHLMSSA-N 1 1 433.487 2.391 40 0 IEABMO O=C(Cn1cccnc1=O)N1C[C@H](c2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]21 ZINC000019403628 556754268 /nfs/dbraw/zinc/75/42/68/556754268.db2.gz YJTBWCWGVKDFEY-DNVJHFABSA-N 1 1 436.556 2.260 40 0 IEABMO COc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019448243 556757586 /nfs/dbraw/zinc/75/75/86/556757586.db2.gz MMJHCOLUNBKJNM-SFHVURJKSA-N 1 1 426.517 2.288 40 0 IEABMO COc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H](C(=O)NC(C)C)C[N@H+]3C)CC2)cc1F ZINC000019449764 556760662 /nfs/dbraw/zinc/76/06/62/556760662.db2.gz LCVYUFBTBAOGQV-QFBILLFUSA-N 1 1 441.569 2.080 40 0 IEABMO COc1ccc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019450168 556761002 /nfs/dbraw/zinc/76/10/02/556761002.db2.gz UXRKVBSRVHLTLT-SFTDATJTSA-N 1 1 439.560 2.062 40 0 IEABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cnc(N(C)C)nc2)C3)c(OCC)n1 ZINC000019531668 556792104 /nfs/dbraw/zinc/79/21/04/556792104.db2.gz DGYFJUAVOVOJAD-NHJWOMDBSA-N 1 1 442.564 2.250 40 0 IEABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)c4cccnc4)C3)nc2C1 ZINC000019570692 556810609 /nfs/dbraw/zinc/81/06/09/556810609.db2.gz GKRBWSALCPXPRP-IBGZPJMESA-N 1 1 445.523 2.362 40 0 IEABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)c4cccnc4)C3)nc2C1 ZINC000019570692 556810613 /nfs/dbraw/zinc/81/06/13/556810613.db2.gz GKRBWSALCPXPRP-IBGZPJMESA-N 1 1 445.523 2.362 40 0 IEABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)c4cccnc4)C3)nc2C1 ZINC000019570689 556810737 /nfs/dbraw/zinc/81/07/37/556810737.db2.gz GKRBWSALCPXPRP-LJQANCHMSA-N 1 1 445.523 2.362 40 0 IEABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)c4cccnc4)C3)nc2C1 ZINC000019570689 556810741 /nfs/dbraw/zinc/81/07/41/556810741.db2.gz GKRBWSALCPXPRP-LJQANCHMSA-N 1 1 445.523 2.362 40 0 IEABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)c4ccccn4)C3)nc2C1 ZINC000019570682 556810822 /nfs/dbraw/zinc/81/08/22/556810822.db2.gz ODTBTQAYEFKFMQ-GOSISDBHSA-N 1 1 445.523 2.362 40 0 IEABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)c4ccccn4)C3)nc2C1 ZINC000019570682 556810826 /nfs/dbraw/zinc/81/08/26/556810826.db2.gz ODTBTQAYEFKFMQ-GOSISDBHSA-N 1 1 445.523 2.362 40 0 IEABMO Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)n2)cc1 ZINC000004388476 556821982 /nfs/dbraw/zinc/82/19/82/556821982.db2.gz ZRNDZCKDRSBFSE-UHFFFAOYSA-N 1 1 445.523 2.245 40 0 IEABMO Cc1nc([C@H]2CCCN(C(=O)CC[N@@H+](C)Cc3ccccn3)C2)nc2c1CCC(=O)N2C ZINC000019741576 556884176 /nfs/dbraw/zinc/88/41/76/556884176.db2.gz ATPMJBGNHDLXJF-SFHVURJKSA-N 1 1 436.560 2.317 40 0 IEABMO COCCn1c(=O)n(C)c(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)nc21 ZINC000019743582 556888269 /nfs/dbraw/zinc/88/82/69/556888269.db2.gz MNONEYYAQDULAD-KRWDZBQOSA-N 1 1 426.492 2.260 40 0 IEABMO 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C[N@H+]1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@](O)(Cn2cccn2)C1 ZINC000585261889 557197705 /nfs/dbraw/zinc/19/77/05/557197705.db2.gz LLXDZLMLGWINRA-DEOSSOPVSA-N 1 1 438.503 2.420 40 0 IEABMO CC(=O)NCCCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585280068 557220134 /nfs/dbraw/zinc/22/01/34/557220134.db2.gz JGLJUCXRQNYKTD-XMMPIXPASA-N 1 1 446.519 2.373 40 0 IEABMO CC(=O)NCCCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585280068 557220135 /nfs/dbraw/zinc/22/01/35/557220135.db2.gz JGLJUCXRQNYKTD-XMMPIXPASA-N 1 1 446.519 2.373 40 0 IEABMO COCC(=O)N1CC[N@@H+](CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283099 557222391 /nfs/dbraw/zinc/22/23/91/557222391.db2.gz PSIGUOJXPVXYEO-VWLOTQADSA-N 1 1 448.604 2.289 40 0 IEABMO Cc1cccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)c1 ZINC000585283740 557223064 /nfs/dbraw/zinc/22/30/64/557223064.db2.gz UKMIMWWYRHCGPT-ZCYQVOJMSA-N 1 1 444.547 2.342 40 0 IEABMO Cc1cccc(OC[C@@]2(O)C[N@@H+](Cc3cccc(OCCn4cncn4)c3)CC[C@@H]2O)c1 ZINC000585283590 557223087 /nfs/dbraw/zinc/22/30/87/557223087.db2.gz SBFFMIYBOONQNK-ZEQRLZLVSA-N 1 1 438.528 2.042 40 0 IEABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccccc2F)CC1 ZINC000585287518 557227574 /nfs/dbraw/zinc/22/75/74/557227574.db2.gz NOCZGYIWIGQHPO-XMMPIXPASA-N 1 1 448.510 2.438 40 0 IEABMO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC1 ZINC000057743728 557258166 /nfs/dbraw/zinc/25/81/66/557258166.db2.gz FERJVRAJIAXJTC-HXUWFJFHSA-N 1 1 438.532 2.097 40 0 IEABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220738036 557310564 /nfs/dbraw/zinc/31/05/64/557310564.db2.gz LTWDAAFKHACEOC-SFHVURJKSA-N 1 1 431.986 2.032 40 0 IEABMO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000105348036 557331187 /nfs/dbraw/zinc/33/11/87/557331187.db2.gz ZUBIIHQUYPUKHA-MTKRSLOGSA-N 1 1 425.529 2.073 40 0 IEABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019236466 557498420 /nfs/dbraw/zinc/49/84/20/557498420.db2.gz RNCVKXUHVTVXPN-JOCHJYFZSA-N 1 1 447.518 2.347 40 0 IEABMO COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589849 557500343 /nfs/dbraw/zinc/50/03/43/557500343.db2.gz MGROXXVJGXYSJA-OAQYLSRUSA-N 1 1 426.496 2.215 40 0 IEABMO COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589850 557500421 /nfs/dbraw/zinc/50/04/21/557500421.db2.gz MGROXXVJGXYSJA-NRFANRHFSA-N 1 1 426.496 2.215 40 0 IEABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000019824518 557508543 /nfs/dbraw/zinc/50/85/43/557508543.db2.gz GGVVFYNXBRGJHI-UHFFFAOYSA-N 1 1 432.590 2.346 40 0 IEABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019940709 557510502 /nfs/dbraw/zinc/51/05/02/557510502.db2.gz KTOUXEFKEDDPET-QHCPKHFHSA-N 1 1 443.555 2.462 40 0 IEABMO CCOc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000020026866 557514580 /nfs/dbraw/zinc/51/45/80/557514580.db2.gz CYQGISXQSMGKSL-UHFFFAOYSA-N 1 1 431.558 2.445 40 0 IEABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)s2)cc1 ZINC000224019713 557545876 /nfs/dbraw/zinc/54/58/76/557545876.db2.gz GDQXHEHTHGLVFW-UHFFFAOYSA-N 1 1 437.591 2.499 40 0 IEABMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224201064 557574893 /nfs/dbraw/zinc/57/48/93/557574893.db2.gz WDRRBIVLMSKFNJ-UHFFFAOYSA-N 1 1 431.558 2.272 40 0 IEABMO CC[NH+]1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000224440019 557606393 /nfs/dbraw/zinc/60/63/93/557606393.db2.gz ZBHPJZBRKOABMJ-UHFFFAOYSA-N 1 1 431.558 2.294 40 0 IEABMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1N(C)S(C)(=O)=O ZINC000224583469 557627193 /nfs/dbraw/zinc/62/71/93/557627193.db2.gz MQIIOBSRARGRBU-UHFFFAOYSA-N 1 1 431.558 2.153 40 0 IEABMO Cc1c(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cccc1N(C)S(C)(=O)=O ZINC000224750104 557647569 /nfs/dbraw/zinc/64/75/69/557647569.db2.gz CTARVEJCHPEXRF-UHFFFAOYSA-N 1 1 431.558 2.153 40 0 IEABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCC2)s1)c1ccc(Cl)cc1 ZINC000225418695 557720846 /nfs/dbraw/zinc/72/08/46/557720846.db2.gz HWNIILYHUCBQFF-UHFFFAOYSA-N 1 1 429.955 2.208 40 0 IEABMO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)s1 ZINC000225509686 557732432 /nfs/dbraw/zinc/73/24/32/557732432.db2.gz YKHVOUZHPQMELQ-UHFFFAOYSA-N 1 1 437.591 2.499 40 0 IEABMO COCCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257208253 568668912 /nfs/dbraw/zinc/66/89/12/568668912.db2.gz BLIMODRQNUBBBG-HTDNTCHWSA-N 1 1 428.504 2.286 40 0 IEABMO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 ZINC000257231724 568679758 /nfs/dbraw/zinc/67/97/58/568679758.db2.gz GHYGBXCMFWQXOE-QFIPXVFZSA-N 1 1 444.539 2.335 40 0 IEABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 ZINC000257231724 568679760 /nfs/dbraw/zinc/67/97/60/568679760.db2.gz GHYGBXCMFWQXOE-QFIPXVFZSA-N 1 1 444.539 2.335 40 0 IEABMO C[N@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257234723 568681260 /nfs/dbraw/zinc/68/12/60/568681260.db2.gz GUVZOFHXVQGHHK-FQEVSTJZSA-N 1 1 432.572 2.468 40 0 IEABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1ccncn1 ZINC000257243700 568685600 /nfs/dbraw/zinc/68/56/00/568685600.db2.gz IIELTVCPISHPAC-LWSSLDFYSA-N 1 1 448.498 2.353 40 0 IEABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1ccncn1 ZINC000257243700 568685602 /nfs/dbraw/zinc/68/56/02/568685602.db2.gz IIELTVCPISHPAC-LWSSLDFYSA-N 1 1 448.498 2.353 40 0 IEABMO Cc1nccn1C[C@]1(O)CN(C(=O)c2ccnc(Oc3cccc(F)c3)c2)CC[N@H+](C)C1 ZINC000257320407 568720161 /nfs/dbraw/zinc/72/01/61/568720161.db2.gz VWQSUMNBQHMARK-QHCPKHFHSA-N 1 1 439.491 2.337 40 0 IEABMO Cc1nccn1C[C@]1(O)CN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)CC[N@H+](C)C1 ZINC000257344807 568730542 /nfs/dbraw/zinc/73/05/42/568730542.db2.gz ZYTCZMDNTLDMOO-DEOSSOPVSA-N 1 1 449.559 2.161 40 0 IEABMO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3cccs3)CC2)C1 ZINC000306132123 568766874 /nfs/dbraw/zinc/76/68/74/568766874.db2.gz KZJVKKJMXIGRBH-JOCHJYFZSA-N 1 1 427.574 2.328 40 0 IEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306135405 568768933 /nfs/dbraw/zinc/76/89/33/568768933.db2.gz OPZZYQAJTFWXKK-DLBZAZTESA-N 1 1 434.500 2.247 40 0 IEABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3ccccc3F)C1)C2 ZINC000306140712 568771604 /nfs/dbraw/zinc/77/16/04/568771604.db2.gz VBPGBZPDRGODNT-HSZRJFAPSA-N 1 1 428.508 2.299 40 0 IEABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@H+](Cc3ccccc3F)C1)C2 ZINC000306140712 568771607 /nfs/dbraw/zinc/77/16/07/568771607.db2.gz VBPGBZPDRGODNT-HSZRJFAPSA-N 1 1 428.508 2.299 40 0 IEABMO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016020059 568863312 /nfs/dbraw/zinc/86/33/12/568863312.db2.gz ZUBIIHQUYPUKHA-PHTJJYGGSA-N 1 1 425.529 2.073 40 0 IEABMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000016034024 568867700 /nfs/dbraw/zinc/86/77/00/568867700.db2.gz AGIHIDZNRIRCTO-ZBBYWACHSA-N 1 1 445.947 2.472 40 0 IEABMO O=C([C@H]1CCCO1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349272 569226351 /nfs/dbraw/zinc/22/63/51/569226351.db2.gz KHXUNOCEVSQHEM-WOJBJXKFSA-N 1 1 426.492 2.310 40 0 IEABMO O=C([C@H]1CCCO1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349272 569226352 /nfs/dbraw/zinc/22/63/52/569226352.db2.gz KHXUNOCEVSQHEM-WOJBJXKFSA-N 1 1 426.492 2.310 40 0 IEABMO O=C([C@H]1CCCO1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343628 569226393 /nfs/dbraw/zinc/22/63/93/569226393.db2.gz ZJIIOYLHBBGZEX-DNVCBOLYSA-N 1 1 428.558 2.275 40 0 IEABMO C[NH+](C)CCNc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(-c2ccncc2)n1 ZINC000328960930 569582827 /nfs/dbraw/zinc/58/28/27/569582827.db2.gz AZQJERJMNYUPNL-UHFFFAOYSA-N 1 1 428.522 2.720 40 0 IEABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4C4CCN(C)CC4)n3)ccn2)CC1 ZINC000049154979 291330556 /nfs/dbraw/zinc/33/05/56/291330556.db2.gz GKNUTLPFYKBYEK-FQEVSTJZSA-N 1 1 439.564 2.031 40 0 biogenic,in-vitro IEABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4C4CCN(C)CC4)n3)ccn2)CC1 ZINC000049154979 291330561 /nfs/dbraw/zinc/33/05/61/291330561.db2.gz GKNUTLPFYKBYEK-FQEVSTJZSA-N 1 1 439.564 2.031 40 0 biogenic,in-vitro IEABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4C4CCOCC4)n3)ccn2)CC1 ZINC000049155002 291330599 /nfs/dbraw/zinc/33/05/99/291330599.db2.gz CHZDUUGPBBOMEY-IBGZPJMESA-N 1 1 426.521 2.116 40 0 biogenic,in-vitro IEABMO CSc1nnc(C2CC[NH+](CC(=O)Nc3ccccc3N3CCOCC3)CC2)n1C ZINC000013565115 132350220 /nfs/dbraw/zinc/35/02/20/132350220.db2.gz XCVUGRBMKYFRQO-UHFFFAOYSA-N 1 1 430.578 2.192 40 0 IEABMO CCOC(=O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000020462860 520854422 /nfs/dbraw/zinc/85/44/22/520854422.db2.gz VODQUMHBCWZLNO-BJLQDIEVSA-N 1 1 436.597 2.260 40 0 biogenic,in-vitro IEABMO Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000022246507 524322935 /nfs/dbraw/zinc/32/29/35/524322935.db2.gz HUFMFCYQIQTZEZ-OAQYLSRUSA-N 1 1 429.586 2.275 40 0 IEABMO COc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(C)(=O)=O ZINC000020460727 524528623 /nfs/dbraw/zinc/52/86/23/524528623.db2.gz GOKRPZUXVSDHTI-UHFFFAOYSA-N 1 1 428.514 2.272 40 0 IEABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4C4CCOCC4)n3)ccn2)CC1 ZINC000035424718 526857804 /nfs/dbraw/zinc/85/78/04/526857804.db2.gz UCOHFLDZNPAEOD-SFHVURJKSA-N 1 1 426.521 2.149 40 0 biogenic,in-vitro IEABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC ZINC000408710147 556116874 /nfs/dbraw/zinc/11/68/74/556116874.db2.gz QDMWLJVHTLIBMK-SFHVURJKSA-N 1 1 438.528 2.164 40 0 IEABMO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000013678565 556555547 /nfs/dbraw/zinc/55/55/47/556555547.db2.gz KRNUBTBJZBSFFC-UHFFFAOYSA-N 1 1 449.548 2.244 40 0 IEABMO O=C(N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)c1ccccc1 ZINC000514288359 556624593 /nfs/dbraw/zinc/62/45/93/556624593.db2.gz AXSOYENKDNFHGK-PCCBWWKXSA-N 1 1 449.473 2.386 40 0 biogenic,in-vitro IEABMO CCOc1ccc(C(=O)NC(=S)NCCC[NH+]2CCOCC2)cc1Br ZINC000016692126 556627322 /nfs/dbraw/zinc/62/73/22/556627322.db2.gz GATLWGDOEYCQDK-UHFFFAOYSA-N 1 1 430.368 2.174 40 0 IEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000044886086 556675618 /nfs/dbraw/zinc/67/56/18/556675618.db2.gz SVHUDSJBQSSERQ-UHFFFAOYSA-N 1 1 427.530 2.353 40 0 IEABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccccc1OCc1nonc1C ZINC000257338340 556706713 /nfs/dbraw/zinc/70/67/13/556706713.db2.gz YWYLKNDNMBHGGX-OAQYLSRUSA-N 1 1 449.511 2.030 40 0 IEABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccccc1OCc1nonc1C ZINC000257338340 556706715 /nfs/dbraw/zinc/70/67/15/556706715.db2.gz YWYLKNDNMBHGGX-OAQYLSRUSA-N 1 1 449.511 2.030 40 0 IEABMO CSc1ccc([C@@H]2NC3=NCN(N4CC[NH+](C)CC4)CN3c3nc4ccccc4n32)cc1 ZINC000019172407 556707430 /nfs/dbraw/zinc/70/74/30/556707430.db2.gz JBXBAODMLLSXJK-OAQYLSRUSA-N 1 1 448.600 2.464 40 0 IEABMO Cc1nc(N)cc(N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)[nH+]1 ZINC000019240914 556726865 /nfs/dbraw/zinc/72/68/65/556726865.db2.gz MIQKPJLANBAZPW-SFHVURJKSA-N 1 1 432.532 2.440 40 0 IEABMO Cn1nccc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019289132 556729224 /nfs/dbraw/zinc/72/92/24/556729224.db2.gz KWBHSKBTHUUFKK-HNNXBMFYSA-N 1 1 438.557 2.143 40 0 IEABMO Cn1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](Cc3cccs3)CC4)C2)cn1 ZINC000019290555 556730599 /nfs/dbraw/zinc/73/05/99/556730599.db2.gz CDOZCUZXZYEDDO-OAHLLOKOSA-N 1 1 438.557 2.143 40 0 IEABMO O=C([C@@H]1CCCO1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343622 556741516 /nfs/dbraw/zinc/74/15/16/556741516.db2.gz ZJIIOYLHBBGZEX-BEFAXECRSA-N 1 1 428.558 2.275 40 0 IEABMO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019448200 556757650 /nfs/dbraw/zinc/75/76/50/556757650.db2.gz WDSWYAGJROIZHG-HXUWFJFHSA-N 1 1 446.573 2.461 40 0 IEABMO COc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H](C(=O)NC(C)C)C[N@H+]3C)CC2)cc1F ZINC000019449760 556760819 /nfs/dbraw/zinc/76/08/19/556760819.db2.gz LCVYUFBTBAOGQV-VQIMIIECSA-N 1 1 441.569 2.080 40 0 IEABMO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)c(C)n1 ZINC000019524653 556782150 /nfs/dbraw/zinc/78/21/50/556782150.db2.gz QCCOMOZITXCXCM-GOSISDBHSA-N 1 1 448.593 2.389 40 0 IEABMO CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2CCCCC2)C3)CC1=O ZINC000019587273 556823725 /nfs/dbraw/zinc/82/37/25/556823725.db2.gz WOVMGSVSPMTJJD-YLJYHZDGSA-N 1 1 441.576 2.262 40 0 IEABMO COc1ccc(CCn2nnnc2[C@@H](CC(C)C)[NH+]2CCC(C(N)=O)CC2)cc1OC ZINC000004875489 556824882 /nfs/dbraw/zinc/82/48/82/556824882.db2.gz RXUJAKHODNAHJT-GOSISDBHSA-N 1 1 430.553 2.218 40 0 IEABMO C[N@H+]1C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019590797 556825298 /nfs/dbraw/zinc/82/52/98/556825298.db2.gz WHERDHRNTFYSDY-ROUUACIJSA-N 1 1 449.477 2.294 40 0 IEABMO COc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)cc1OC ZINC000019590249 556825384 /nfs/dbraw/zinc/82/53/84/556825384.db2.gz ZFJJUQXVBOKMNT-MRXNPFEDSA-N 1 1 426.517 2.136 40 0 IEABMO COCCOc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)ccc1OC ZINC000019593631 556829659 /nfs/dbraw/zinc/82/96/59/556829659.db2.gz LUHWGXQIBDYQDN-UHFFFAOYSA-N 1 1 436.512 2.467 40 0 IEABMO CN(C)c1cc([C@H]2CC(=O)N(C)C2)nc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000019697515 556854687 /nfs/dbraw/zinc/85/46/87/556854687.db2.gz PZSIBYPAYYJVPT-SFHVURJKSA-N 1 1 442.608 2.117 40 0 IEABMO CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)S(=O)(=O)CCCc1ccccc1 ZINC000019699215 556858261 /nfs/dbraw/zinc/85/82/61/556858261.db2.gz QODATGOTPJYHIW-YADHBBJMSA-N 1 1 429.586 2.212 40 0 IEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 ZINC000019708720 556870277 /nfs/dbraw/zinc/87/02/77/556870277.db2.gz PQKIWLRNPVOUNI-OAHLLOKOSA-N 1 1 431.562 2.083 40 0 IEABMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1 ZINC000019749262 556893484 /nfs/dbraw/zinc/89/34/84/556893484.db2.gz VMMPRGWSEGGUIO-NRFANRHFSA-N 1 1 447.539 2.222 40 0 IEABMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)C1 ZINC000019750554 556894576 /nfs/dbraw/zinc/89/45/76/556894576.db2.gz HPZGTKLWFWXEOZ-OAQYLSRUSA-N 1 1 447.539 2.222 40 0 IEABMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)C1 ZINC000019750665 556894625 /nfs/dbraw/zinc/89/46/25/556894625.db2.gz YMDHJGHEYRUZBC-LJQANCHMSA-N 1 1 439.560 2.355 40 0 IEABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccncc4)CCO3)nc3ccccc32)CC1 ZINC000019759175 556902959 /nfs/dbraw/zinc/90/29/59/556902959.db2.gz KZEJBBKRIOOAMY-QHCPKHFHSA-N 1 1 445.523 2.231 40 0 IEABMO Cc1cccc(Nc2ccc([C@H]3CCC[N@@H+](CC(=O)N4CCC(C(N)=O)CC4)C3)nc2)n1 ZINC000072353321 556926318 /nfs/dbraw/zinc/92/63/18/556926318.db2.gz SPMBGQFNZCMHOA-IBGZPJMESA-N 1 1 436.560 2.432 40 0 IEABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072376021 556953824 /nfs/dbraw/zinc/95/38/24/556953824.db2.gz OBMDANWUYMDBES-LJQANCHMSA-N 1 1 436.560 2.432 40 0 IEABMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378753 556957024 /nfs/dbraw/zinc/95/70/24/556957024.db2.gz JNPSQNQWEHUYPB-IBGZPJMESA-N 1 1 426.502 2.455 40 0 IEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccnn4[C@@H]4CCCCO4)C[C@H]32)c(OC)n1 ZINC000072392628 556963917 /nfs/dbraw/zinc/96/39/17/556963917.db2.gz VZNZLVZGEPVXTE-TUXJCPBXSA-N 1 1 429.521 2.119 40 0 IEABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1OCC(N)=O ZINC000072393252 556964372 /nfs/dbraw/zinc/96/43/72/556964372.db2.gz VTWQZTOXOGJCTA-KRWDZBQOSA-N 1 1 449.511 2.084 40 0 IEABMO C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C[C@H]1O ZINC000585103002 557037167 /nfs/dbraw/zinc/03/71/67/557037167.db2.gz AXNUXDVZSSKJNJ-WTIAFYNJSA-N 1 1 429.605 2.396 40 0 IEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1 ZINC000409385523 557092495 /nfs/dbraw/zinc/09/24/95/557092495.db2.gz AEGHJQIQOYAMBE-UHFFFAOYSA-N 1 1 445.585 2.359 40 0 IEABMO CC[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000409389596 557100729 /nfs/dbraw/zinc/10/07/29/557100729.db2.gz QPJDKEFSBYCZQP-UHFFFAOYSA-N 1 1 445.585 2.093 40 0 IEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2cc(F)cc(F)c2)CC3)C1=O ZINC000096144362 557172424 /nfs/dbraw/zinc/17/24/24/557172424.db2.gz OPMXPMFQLFIUNF-HSZRJFAPSA-N 1 1 435.515 2.388 40 0 IEABMO CCCS(=O)(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242260 557186320 /nfs/dbraw/zinc/18/63/20/557186320.db2.gz GPRNVDBLDWQSTK-LJQANCHMSA-N 1 1 433.618 2.411 40 0 IEABMO Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C4CCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096251464 557188537 /nfs/dbraw/zinc/18/85/37/557188537.db2.gz HHPDPYXQPVYBNY-QPPBQGQZSA-N 1 1 427.593 2.177 40 0 IEABMO O=C1NCCN1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268842 557210304 /nfs/dbraw/zinc/21/03/04/557210304.db2.gz SRQXONCKSOYYBV-SFTDATJTSA-N 1 1 431.920 2.368 40 0 IEABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCc1cccc2c1OCO2 ZINC000585271497 557213307 /nfs/dbraw/zinc/21/33/07/557213307.db2.gz AHVZYGITHWBEEQ-HSZRJFAPSA-N 1 1 430.476 2.467 40 0 IEABMO O=C(COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1)N1CCOCC1 ZINC000585270454 557214236 /nfs/dbraw/zinc/21/42/36/557214236.db2.gz KOCAAVLNODWLTI-RUZDIDTESA-N 1 1 440.540 2.330 40 0 IEABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000585271429 557214525 /nfs/dbraw/zinc/21/45/25/557214525.db2.gz FQASGTIIDMMYGA-OAQYLSRUSA-N 1 1 430.545 2.278 40 0 IEABMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272688 557217106 /nfs/dbraw/zinc/21/71/06/557217106.db2.gz LWXALSSGOLFYRW-OAQYLSRUSA-N 1 1 430.545 2.278 40 0 IEABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585283585 557223098 /nfs/dbraw/zinc/22/30/98/557223098.db2.gz RZUPDAGUYMURHM-XMMPIXPASA-N 1 1 448.510 2.438 40 0 IEABMO OC1(C[N@H+]2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286712 557225566 /nfs/dbraw/zinc/22/55/66/557225566.db2.gz HXSNSPLKETWIQY-DEOSSOPVSA-N 1 1 430.520 2.299 40 0 IEABMO O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000057698706 557258920 /nfs/dbraw/zinc/25/89/20/557258920.db2.gz BUBXXOZDQITADW-UHFFFAOYSA-N 1 1 441.619 2.156 40 0 IEABMO COc1ccc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)cc1CN1CCOCC1 ZINC000022931403 557274604 /nfs/dbraw/zinc/27/46/04/557274604.db2.gz FSJALQGMVXXGQT-UHFFFAOYSA-N 1 1 440.588 2.257 40 0 IEABMO COc1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cc1CN1CCOCC1 ZINC000022931403 557274608 /nfs/dbraw/zinc/27/46/08/557274608.db2.gz FSJALQGMVXXGQT-UHFFFAOYSA-N 1 1 440.588 2.257 40 0 IEABMO CCc1ccc2c(c1)[C@@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000105348032 557331171 /nfs/dbraw/zinc/33/11/71/557331171.db2.gz ZUBIIHQUYPUKHA-RJPVGMBJSA-N 1 1 425.529 2.073 40 0 IEABMO C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@H]6CC[C@@H](C5)[N@@H+]6C)nc4c23)C1 ZINC000013566312 557344263 /nfs/dbraw/zinc/34/42/63/557344263.db2.gz ACHHTMXMBVPGDS-JKXDFHQYSA-N 1 1 441.557 2.399 40 0 IEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223691908 557502798 /nfs/dbraw/zinc/50/27/98/557502798.db2.gz ANEOJVYFOSHCFF-QGZVFWFLSA-N 1 1 441.594 2.095 40 0 IEABMO Cc1cc(C)cc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224547863 557620752 /nfs/dbraw/zinc/62/07/52/557620752.db2.gz KOHCSPQFBFVFRV-UHFFFAOYSA-N 1 1 445.585 2.218 40 0 IEABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000224567612 557624865 /nfs/dbraw/zinc/62/48/65/557624865.db2.gz IPNLWQAXCBQTBR-QFIPXVFZSA-N 1 1 445.585 2.380 40 0 IEABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000224567670 557624899 /nfs/dbraw/zinc/62/48/99/557624899.db2.gz IPNLWQAXCBQTBR-JOCHJYFZSA-N 1 1 445.585 2.380 40 0 IEABMO CN(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224576050 557626281 /nfs/dbraw/zinc/62/62/81/557626281.db2.gz FAFQIFMGEKOIKA-UHFFFAOYSA-N 1 1 445.585 2.236 40 0 IEABMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224578282 557626651 /nfs/dbraw/zinc/62/66/51/557626651.db2.gz KAPLATMRPQGGKC-QGZVFWFLSA-N 1 1 449.548 2.129 40 0 IEABMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224579061 557626772 /nfs/dbraw/zinc/62/67/72/557626772.db2.gz DTTAYUCXKXWYIX-KRWDZBQOSA-N 1 1 449.548 2.129 40 0 IEABMO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1C ZINC000224713730 557643354 /nfs/dbraw/zinc/64/33/54/557643354.db2.gz TXHIFFBBUHJAPW-UHFFFAOYSA-N 1 1 445.585 2.218 40 0 IEABMO 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C[NH+]1CCC(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)CC1 ZINC000257266904 556713523 /nfs/dbraw/zinc/71/35/23/556713523.db2.gz MFBURRDNQCBEPE-SONWIMMPSA-N 1 1 429.605 2.018 40 0 IEABMO Cc1ccnn1CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019238402 556723423 /nfs/dbraw/zinc/72/34/23/556723423.db2.gz GPRCIWMSMOHQKR-SFHVURJKSA-N 1 1 438.576 2.372 40 0 IEABMO O=C([C@@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349274 556744060 /nfs/dbraw/zinc/74/40/60/556744060.db2.gz KLEIQXSPYQIWMK-UZLBHIALSA-N 1 1 426.492 2.167 40 0 IEABMO O=C([C@@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349274 556744062 /nfs/dbraw/zinc/74/40/62/556744062.db2.gz KLEIQXSPYQIWMK-UZLBHIALSA-N 1 1 426.492 2.167 40 0 IEABMO O=C(c1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000019372515 556749082 /nfs/dbraw/zinc/74/90/82/556749082.db2.gz ZVIYFYWGPJOMID-NHCUHLMSSA-N 1 1 444.528 2.014 40 0 IEABMO O=C(c1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000019372515 556749085 /nfs/dbraw/zinc/74/90/85/556749085.db2.gz ZVIYFYWGPJOMID-NHCUHLMSSA-N 1 1 444.528 2.014 40 0 IEABMO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)n1 ZINC000019404126 556754277 /nfs/dbraw/zinc/75/42/77/556754277.db2.gz IWUNBMUDSHSYRP-FQEVSTJZSA-N 1 1 438.576 2.459 40 0 IEABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450162 556760948 /nfs/dbraw/zinc/76/09/48/556760948.db2.gz JODKFLINCAAZRX-IRXDYDNUSA-N 1 1 445.514 2.332 40 0 IEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000060644457 556808170 /nfs/dbraw/zinc/80/81/70/556808170.db2.gz HTHNSOVUVPUEBW-KRWDZBQOSA-N 1 1 425.570 2.465 40 0 IEABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)[nH]c(=O)c2C1 ZINC000019570593 556810753 /nfs/dbraw/zinc/81/07/53/556810753.db2.gz GMGIAKDPRJDNNO-UWJYYQICSA-N 1 1 438.528 2.244 40 0 IEABMO COCCNC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593506 556829646 /nfs/dbraw/zinc/82/96/46/556829646.db2.gz FOQAQWHWRBLUIE-NHCUHLMSSA-N 1 1 439.560 2.064 40 0 IEABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)CC(=O)N3CCCc4ccccc43)cc2)C1 ZINC000019699220 556858325 /nfs/dbraw/zinc/85/83/25/556858325.db2.gz ZJBJARGKOYXBRQ-PKTZIBPZSA-N 1 1 448.567 2.145 40 0 IEABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@@H+](C)CC(=O)N3CCCc4ccccc43)cc2)C1 ZINC000019699220 556858328 /nfs/dbraw/zinc/85/83/28/556858328.db2.gz ZJBJARGKOYXBRQ-PKTZIBPZSA-N 1 1 448.567 2.145 40 0 IEABMO CNc1nc([C@@H]2CCC[N@@H+]2C)nc2c1CCN(C(=O)CC1(NC(C)=O)CCCCC1)C2 ZINC000019707122 556866314 /nfs/dbraw/zinc/86/63/14/556866314.db2.gz XNOICPCRXRTZAI-IBGZPJMESA-N 1 1 428.581 2.399 40 0 IEABMO CNc1nc([C@@H]2CCC[N@H+]2C)nc2c1CCN(C(=O)CC1(NC(C)=O)CCCCC1)C2 ZINC000019707122 556866318 /nfs/dbraw/zinc/86/63/18/556866318.db2.gz XNOICPCRXRTZAI-IBGZPJMESA-N 1 1 428.581 2.399 40 0 IEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 ZINC000019708721 556870098 /nfs/dbraw/zinc/87/00/98/556870098.db2.gz PQKIWLRNPVOUNI-HNNXBMFYSA-N 1 1 431.562 2.083 40 0 IEABMO CNc1nc([C@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710442 556873155 /nfs/dbraw/zinc/87/31/55/556873155.db2.gz LBRIVERSYHGOQE-SFHVURJKSA-N 1 1 442.608 2.393 40 0 IEABMO CNc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710442 556873158 /nfs/dbraw/zinc/87/31/58/556873158.db2.gz LBRIVERSYHGOQE-SFHVURJKSA-N 1 1 442.608 2.393 40 0 IEABMO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CC[N@H+]1CCC[C@@H](C)C1)C2 ZINC000019710896 556874941 /nfs/dbraw/zinc/87/49/41/556874941.db2.gz QSHDKYIYONKPGY-QGZVFWFLSA-N 1 1 442.608 2.251 40 0 IEABMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)C1 ZINC000019750043 556894183 /nfs/dbraw/zinc/89/41/83/556894183.db2.gz RAZCRQCHVYVPNO-IBGZPJMESA-N 1 1 439.560 2.355 40 0 IEABMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)C1 ZINC000019750662 556894657 /nfs/dbraw/zinc/89/46/57/556894657.db2.gz YMDHJGHEYRUZBC-IBGZPJMESA-N 1 1 439.560 2.355 40 0 IEABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4cccnc4)CCO3)nc3ccccc32)CC1 ZINC000019759351 556902938 /nfs/dbraw/zinc/90/29/38/556902938.db2.gz BLZQEZNBIUKDSZ-QHCPKHFHSA-N 1 1 445.523 2.231 40 0 IEABMO COc1cc(C[N@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)ccc1O ZINC000072334507 556907272 /nfs/dbraw/zinc/90/72/72/556907272.db2.gz AOFMJALXJHHLMP-UQBPGWFLSA-N 1 1 437.540 2.472 40 0 IEABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccccn4)CCO3)nc3ccccc32)CC1 ZINC000019762779 556907543 /nfs/dbraw/zinc/90/75/43/556907543.db2.gz GQKQYABIBHOAIM-HSZRJFAPSA-N 1 1 445.523 2.231 40 0 IEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103142 557037146 /nfs/dbraw/zinc/03/71/46/557037146.db2.gz DNERTBHOYFIEJY-ZPMCFJSWSA-N 1 1 432.561 2.418 40 0 IEABMO 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Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4ccccc4)C3)CC2)cc1 ZINC000585287180 557225972 /nfs/dbraw/zinc/22/59/72/557225972.db2.gz KFXIGUHYOXEZRL-VWLOTQADSA-N 1 1 426.557 2.469 40 0 IEABMO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)C[NH+]1CCN(C/C=C/c3ccccc3)CC1)C2=O ZINC000022930066 557274729 /nfs/dbraw/zinc/27/47/29/557274729.db2.gz RZAHDJBZBCSBTD-MLFPPZNBSA-N 1 1 439.600 2.490 40 0 IEABMO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)CN1CC[NH+](C/C=C/c3ccccc3)CC1)C2=O ZINC000022930066 557274732 /nfs/dbraw/zinc/27/47/32/557274732.db2.gz RZAHDJBZBCSBTD-MLFPPZNBSA-N 1 1 439.600 2.490 40 0 IEABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cscn1)CC2 ZINC000107180602 557335621 /nfs/dbraw/zinc/33/56/21/557335621.db2.gz GCMOAILOOUJYIS-ZWKOTPCHSA-N 1 1 425.558 2.123 40 0 IEABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000223272198 557454218 /nfs/dbraw/zinc/45/42/18/557454218.db2.gz LZUDQRGXDJHRGT-UHFFFAOYSA-N 1 1 433.599 2.373 40 0 IEABMO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000019077391 557497480 /nfs/dbraw/zinc/49/74/80/557497480.db2.gz ZXSIHGQTZVOSAY-GGUMNFRJSA-N 1 1 427.545 2.202 40 0 IEABMO CN(c1ccc(OCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1)S(C)(=O)=O ZINC000224246584 557580920 /nfs/dbraw/zinc/58/09/20/557580920.db2.gz FYSNIHKKZJZPQG-UHFFFAOYSA-N 1 1 431.558 2.026 40 0 IEABMO Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224301002 557587441 /nfs/dbraw/zinc/58/74/41/557587441.db2.gz DGSCUUUGZJEALN-UHFFFAOYSA-N 1 1 431.558 2.272 40 0 IEABMO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224570936 557625402 /nfs/dbraw/zinc/62/54/02/557625402.db2.gz OQPUBPQIYGTCRX-UHFFFAOYSA-N 1 1 437.949 2.474 40 0 IEABMO Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224577628 557626574 /nfs/dbraw/zinc/62/65/74/557626574.db2.gz WGBUGNDCSCYARI-IBGZPJMESA-N 1 1 445.585 2.298 40 0 IEABMO O=C1CCCN1c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224735783 557645579 /nfs/dbraw/zinc/64/55/79/557645579.db2.gz ZJDAXASXPKEXPM-UHFFFAOYSA-N 1 1 429.542 2.124 40 0 IEABMO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224745330 557647117 /nfs/dbraw/zinc/64/71/17/557647117.db2.gz XGSNAKOTSFPXOR-KRWDZBQOSA-N 1 1 449.548 2.129 40 0 IEABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccccc3)c2)CC1 ZINC000224773813 557650141 /nfs/dbraw/zinc/65/01/41/557650141.db2.gz SYKWTWFGHIAFDE-UHFFFAOYSA-N 1 1 431.558 2.294 40 0 IEABMO CS(=O)(=O)N(CC(=O)NCCC[N@H+]1CCc2ccccc2C1)Cc1ccccc1F ZINC000225028033 557679714 /nfs/dbraw/zinc/67/97/14/557679714.db2.gz UYHXSGKNSVKEHD-UHFFFAOYSA-N 1 1 433.549 2.152 40 0 IEABMO COc1ccccc1N(CCCC(=O)NCCC[N@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000225196704 557698924 /nfs/dbraw/zinc/69/89/24/557698924.db2.gz LRRUEGOWFSMPLZ-GOSISDBHSA-N 1 1 425.595 2.480 40 0 IEABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000225501029 557730994 /nfs/dbraw/zinc/73/09/94/557730994.db2.gz TWVNPMFOZKGEJS-GOSISDBHSA-N 1 1 437.606 2.334 40 0 IEABMO COc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)NS(C)(=O)=O)cc1 ZINC000225956950 557796898 /nfs/dbraw/zinc/79/68/98/557796898.db2.gz PICQAYHTPSQIBV-NRFANRHFSA-N 1 1 431.558 2.020 40 0 IEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000260790400 557855949 /nfs/dbraw/zinc/85/59/49/557855949.db2.gz ANEOJVYFOSHCFF-KRWDZBQOSA-N 1 1 441.594 2.095 40 0 IEABMO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271114 568617633 /nfs/dbraw/zinc/61/76/33/568617633.db2.gz RELKELUOVSFARC-DEOSSOPVSA-N 1 1 436.560 2.442 40 0 IEABMO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271122 568617841 /nfs/dbraw/zinc/61/78/41/568617841.db2.gz RELKELUOVSFARC-XMMPIXPASA-N 1 1 436.560 2.442 40 0 IEABMO Cc1ccccc1N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585288143 568619357 /nfs/dbraw/zinc/61/93/57/568619357.db2.gz XOAKVKHARQIKPM-RUZDIDTESA-N 1 1 426.557 2.469 40 0 IEABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ncc(C)s1)C2 ZINC000257204562 568667364 /nfs/dbraw/zinc/66/73/64/568667364.db2.gz AVEXHTNBIVZKOQ-UZKOGDIHSA-N 1 1 427.574 2.274 40 0 IEABMO CO[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)[C@H]1O ZINC000257213567 568671451 /nfs/dbraw/zinc/67/14/51/568671451.db2.gz CIDHSWZRMJHTDG-KIFXHHALSA-N 1 1 428.529 2.490 40 0 IEABMO C[N@@H+](CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1)C1CCCC1 ZINC000257216216 568672433 /nfs/dbraw/zinc/67/24/33/568672433.db2.gz CTPFCFQOQXHISK-REWPJTCUSA-N 1 1 443.588 2.406 40 0 IEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257223875 568676153 /nfs/dbraw/zinc/67/61/53/568676153.db2.gz DZIBUXMEQJMWGN-LPHOPBHVSA-N 1 1 446.548 2.356 40 0 IEABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4ccc(F)cc4)o3)[C@H]2O)CC1 ZINC000257229037 568678442 /nfs/dbraw/zinc/67/84/42/568678442.db2.gz FWKUGIGAPDDUDH-WOIUINJBSA-N 1 1 429.492 2.262 40 0 IEABMO O=C(C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2)NCCc1nc2ccccc2[nH]1 ZINC000257236187 568681846 /nfs/dbraw/zinc/68/18/46/568681846.db2.gz HBCUFZONHBYDAW-UQBPGWFLSA-N 1 1 431.540 2.360 40 0 IEABMO O=C(C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2)NCCc1nc2ccccc2[nH]1 ZINC000257236187 568681848 /nfs/dbraw/zinc/68/18/48/568681848.db2.gz HBCUFZONHBYDAW-UQBPGWFLSA-N 1 1 431.540 2.360 40 0 IEABMO Cn1c(CNC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)nc2ccccc21 ZINC000257239789 568683648 /nfs/dbraw/zinc/68/36/48/568683648.db2.gz HQUFHGKTLXUWCR-UQBPGWFLSA-N 1 1 431.540 2.328 40 0 IEABMO Cn1c(CNC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)nc2ccccc21 ZINC000257239789 568683649 /nfs/dbraw/zinc/68/36/49/568683649.db2.gz HQUFHGKTLXUWCR-UQBPGWFLSA-N 1 1 431.540 2.328 40 0 IEABMO Cc1cc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@H](Cc3cnccn3)C2)nn1C ZINC000257246682 568687043 /nfs/dbraw/zinc/68/70/43/568687043.db2.gz IVHBENFIFWGILG-NRFANRHFSA-N 1 1 433.560 2.134 40 0 IEABMO Cc1cc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)nn1C ZINC000257246683 568687056 /nfs/dbraw/zinc/68/70/56/568687056.db2.gz IVHBENFIFWGILG-OAQYLSRUSA-N 1 1 433.560 2.134 40 0 IEABMO Cc1cncc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257247796 568687511 /nfs/dbraw/zinc/68/75/11/568687511.db2.gz JANVBUQXDWKZAG-GMAHTHKFSA-N 1 1 436.556 2.464 40 0 IEABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccnn1C(C)C)C2 ZINC000257252594 568689688 /nfs/dbraw/zinc/68/96/88/568689688.db2.gz JVIDYDVHROYIOS-HUVFLSCGSA-N 1 1 438.576 2.286 40 0 IEABMO CC(=O)N[C@]12CN(CC(=O)Nc3ccnn3C(C)C)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257286129 568704772 /nfs/dbraw/zinc/70/47/72/568704772.db2.gz PKKUCPUQAAZGOM-AGILITTLSA-N 1 1 438.576 2.286 40 0 IEABMO NC(=O)CCn1cc(C[N@H+]2CCC[C@@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)c2ccccc21 ZINC000257318564 568719434 /nfs/dbraw/zinc/71/94/34/568719434.db2.gz VOMKETXMVPYDRW-QHCPKHFHSA-N 1 1 437.500 2.078 40 0 IEABMO CNc1nc([C@@H]2CCN(C(=O)Cn3c(=O)cc(C)c4ccccc43)C2)nc2c1CC[N@H+](C)C2 ZINC000257320981 568720382 /nfs/dbraw/zinc/72/03/82/568720382.db2.gz VZPIKLXSBMROLQ-QGZVFWFLSA-N 1 1 446.555 2.146 40 0 IEABMO CNc1nc([C@@H]2CCN(C(=O)Cn3c(=O)cc(C)c4ccccc43)C2)nc2c1CC[N@@H+](C)C2 ZINC000257320981 568720386 /nfs/dbraw/zinc/72/03/86/568720386.db2.gz VZPIKLXSBMROLQ-QGZVFWFLSA-N 1 1 446.555 2.146 40 0 IEABMO O=C(CCCn1c2ccccc2nc1C(F)(F)F)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257335674 568726839 /nfs/dbraw/zinc/72/68/39/568726839.db2.gz YLJBMSPPPDKRST-SZVBFZGTSA-N 1 1 440.466 2.176 40 0 IEABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3nc4c(c(NC)n3)CCN(C(C)=O)C4)C2)cc1CO ZINC000257344980 568730832 /nfs/dbraw/zinc/73/08/32/568730832.db2.gz ZZLFUAIFISVXJW-GOSISDBHSA-N 1 1 439.560 2.303 40 0 IEABMO CCn1cc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CCOC)C3)cn1 ZINC000306127484 568764629 /nfs/dbraw/zinc/76/46/29/568764629.db2.gz FZNSLMXIPRGVOQ-UHFFFAOYSA-N 1 1 448.589 2.215 40 0 IEABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 ZINC000306128596 568765137 /nfs/dbraw/zinc/76/51/37/568765137.db2.gz HFTALTYKJCZQKB-DEOSSOPVSA-N 1 1 440.544 2.169 40 0 IEABMO COCCN1C[C@]2(CC[N@H+](Cc3ccc(OC)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306129200 568765684 /nfs/dbraw/zinc/76/56/84/568765684.db2.gz HXIJVHWFTOILPR-JOCHJYFZSA-N 1 1 432.542 2.369 40 0 IEABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccc(OC)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306129200 568765686 /nfs/dbraw/zinc/76/56/86/568765686.db2.gz HXIJVHWFTOILPR-JOCHJYFZSA-N 1 1 432.542 2.369 40 0 IEABMO COc1cccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](CNC(=O)C4CC(F)(F)C4)O3)C2)n1 ZINC000306133874 568768245 /nfs/dbraw/zinc/76/82/45/568768245.db2.gz MYHMOYISPGQSDD-YLJYHZDGSA-N 1 1 425.476 2.002 40 0 IEABMO COc1cccc(C[N@H+]2CCOC[C@@]3(CC[C@H](CNC(=O)C4CC(F)(F)C4)O3)C2)n1 ZINC000306133874 568768247 /nfs/dbraw/zinc/76/82/47/568768247.db2.gz MYHMOYISPGQSDD-YLJYHZDGSA-N 1 1 425.476 2.002 40 0 IEABMO Cc1ccsc1C[N@@H+]1CC[C@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306139251 568771049 /nfs/dbraw/zinc/77/10/49/568771049.db2.gz STGPUOGETGMEJI-FQEVSTJZSA-N 1 1 429.571 2.136 40 0 IEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000101509271 568844833 /nfs/dbraw/zinc/84/48/33/568844833.db2.gz NSJGEXWTVXFQHP-CEXWTWQISA-N 1 1 437.606 2.380 40 0 IEABMO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000019696003 569229665 /nfs/dbraw/zinc/22/96/65/569229665.db2.gz BFLICEPAOVWUJJ-NRFANRHFSA-N 1 1 425.514 2.417 40 0 IEABMO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000019696003 569229666 /nfs/dbraw/zinc/22/96/66/569229666.db2.gz BFLICEPAOVWUJJ-NRFANRHFSA-N 1 1 425.514 2.417 40 0 IEABMO Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)C[N@@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019701399 569231314 /nfs/dbraw/zinc/23/13/14/569231314.db2.gz HZCXVTOSUCTEBP-QFIPXVFZSA-N 1 1 444.539 2.358 40 0 IEABMO Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)C[N@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019701399 569231316 /nfs/dbraw/zinc/23/13/16/569231316.db2.gz HZCXVTOSUCTEBP-QFIPXVFZSA-N 1 1 444.539 2.358 40 0 IEABMO C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750687 569328475 /nfs/dbraw/zinc/32/84/75/569328475.db2.gz JAKAOWFVMKJEBC-QHCPKHFHSA-N 1 1 444.535 2.294 40 0 IEABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750687 569328476 /nfs/dbraw/zinc/32/84/76/569328476.db2.gz JAKAOWFVMKJEBC-QHCPKHFHSA-N 1 1 444.535 2.294 40 0 IEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)CCOc1ccccc1)CC2 ZINC000072345732 522688698 /nfs/dbraw/zinc/68/86/98/522688698.db2.gz DTOJFWZUWMIOLL-QGZVFWFLSA-N 1 1 445.589 2.094 40 0 IEABMO CN(C)C(=O)[C@H]1C[N@@H+](CCCOc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000012124406 524017575 /nfs/dbraw/zinc/01/75/75/524017575.db2.gz ZZKNDBZQIFESCF-HOYKHHGWSA-N 1 1 441.503 2.176 40 0 IEABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000408622254 555991172 /nfs/dbraw/zinc/99/11/72/555991172.db2.gz MZXDROQELBXTSY-LJQANCHMSA-N 1 1 445.585 2.405 40 0 IEABMO CS(=O)(=O)N(Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000408625446 555995915 /nfs/dbraw/zinc/99/59/15/555995915.db2.gz VCZMPWGGCOLRFO-UHFFFAOYSA-N 1 1 431.558 2.105 40 0 IEABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccccc2)cc1 ZINC000408635748 556014082 /nfs/dbraw/zinc/01/40/82/556014082.db2.gz IFEBHZADNALYCC-UHFFFAOYSA-N 1 1 431.558 2.050 40 0 IEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)CC1 ZINC000408676487 556071442 /nfs/dbraw/zinc/07/14/42/556071442.db2.gz OJIYCESPPSVYLS-UHFFFAOYSA-N 1 1 435.521 2.478 40 0 IEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 ZINC000408710175 556116902 /nfs/dbraw/zinc/11/69/02/556116902.db2.gz RETMVCWBACIVRM-GOSISDBHSA-N 1 1 438.528 2.164 40 0 IEABMO C[N@@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922714 556341454 /nfs/dbraw/zinc/34/14/54/556341454.db2.gz IXDUJADCVQNKGA-ZEYPLWLESA-N 1 1 438.597 2.491 40 0 biogenic,in-vitro IEABMO C[N@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922714 556341457 /nfs/dbraw/zinc/34/14/57/556341457.db2.gz IXDUJADCVQNKGA-ZEYPLWLESA-N 1 1 438.597 2.491 40 0 biogenic,in-vitro IEABMO CCOC(=O)Cn1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c2ccccc21 ZINC000012088709 556401473 /nfs/dbraw/zinc/40/14/73/556401473.db2.gz GYOFTJIUKQEERV-UHFFFAOYSA-N 1 1 435.528 2.446 40 0 IEABMO CCOC(=O)Cn1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c2ccccc21 ZINC000012088709 556401475 /nfs/dbraw/zinc/40/14/75/556401475.db2.gz GYOFTJIUKQEERV-UHFFFAOYSA-N 1 1 435.528 2.446 40 0 IEABMO O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000036548229 556598487 /nfs/dbraw/zinc/59/84/87/556598487.db2.gz MOTHUJKQNSAOTL-ZTCOLXNVSA-N 1 1 446.551 2.205 40 0 IEABMO CS(=O)(=O)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000038756360 556618067 /nfs/dbraw/zinc/61/80/67/556618067.db2.gz QLGVRNRQXVSQNT-HXUWFJFHSA-N 1 1 449.960 2.211 40 0 IEABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289452 556623541 /nfs/dbraw/zinc/62/35/41/556623541.db2.gz LHKIBNMQXQZPLY-VQTJNVASSA-N 1 1 446.473 2.246 40 0 biogenic,in-vitro IEABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514289452 556623543 /nfs/dbraw/zinc/62/35/43/556623543.db2.gz LHKIBNMQXQZPLY-VQTJNVASSA-N 1 1 446.473 2.246 40 0 biogenic,in-vitro IEABMO O=C1N[C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[C@@H](CCOc4ccccc41)O3)[N@H+](C1CCC1)C2 ZINC000514287675 556624359 /nfs/dbraw/zinc/62/43/59/556624359.db2.gz XRYUXRVOXJZIDG-WBKMXMRLSA-N 1 1 427.545 2.248 40 0 IEABMO O=C(C[NH+]1CCCCCC1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 ZINC000016806096 556644002 /nfs/dbraw/zinc/64/40/02/556644002.db2.gz UCJCFFDHOZPBBN-UHFFFAOYSA-N 1 1 438.575 2.132 40 0 IEABMO C[NH+]1CCC(C)(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)CC1 ZINC000257203820 556701661 /nfs/dbraw/zinc/70/16/61/556701661.db2.gz ARTWSAFGAGJJTA-JCYRPKCISA-N 1 1 443.632 2.408 40 0 IEABMO CCc1[nH+]ccn1CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 ZINC000257312478 556703395 /nfs/dbraw/zinc/70/33/95/556703395.db2.gz UODGBTPPPXFBIZ-HFMPRLQTSA-N 1 1 426.561 2.329 40 0 IEABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1 ZINC000019238674 556723665 /nfs/dbraw/zinc/72/36/65/556723665.db2.gz LLHPURFMCDPYMB-CRAIPNDOSA-N 1 1 428.558 2.398 40 0 IEABMO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339576 556739650 /nfs/dbraw/zinc/73/96/50/556739650.db2.gz PZCPMCVPFFNECP-KRWDZBQOSA-N 1 1 435.553 2.343 40 0 IEABMO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339576 556739655 /nfs/dbraw/zinc/73/96/55/556739655.db2.gz PZCPMCVPFFNECP-KRWDZBQOSA-N 1 1 435.553 2.343 40 0 IEABMO O=C(Cc1ccsc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339585 556739722 /nfs/dbraw/zinc/73/97/22/556739722.db2.gz BCWNEZMYKYZZES-SFHVURJKSA-N 1 1 435.553 2.343 40 0 IEABMO O=C(Cc1ccsc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339585 556739726 /nfs/dbraw/zinc/73/97/26/556739726.db2.gz BCWNEZMYKYZZES-SFHVURJKSA-N 1 1 435.553 2.343 40 0 IEABMO O=C(NCc1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372473 556749143 /nfs/dbraw/zinc/74/91/43/556749143.db2.gz MPPXFBKTOBXWFV-PMACEKPBSA-N 1 1 431.544 2.332 40 0 IEABMO O=C(N[C@H]1CSC[C@@H]1O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372534 556749166 /nfs/dbraw/zinc/74/91/66/556749166.db2.gz QNFKTFHWBYMCQV-CGXNFDGLSA-N 1 1 428.529 2.349 40 0 IEABMO COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)c1 ZINC000019448251 556757568 /nfs/dbraw/zinc/75/75/68/556757568.db2.gz CMKHEURBZDDBGR-FQEVSTJZSA-N 1 1 440.544 2.460 40 0 IEABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450164 556760956 /nfs/dbraw/zinc/76/09/56/556760956.db2.gz CXPSCTSPCAKPKB-OALUTQOASA-N 1 1 445.514 2.332 40 0 IEABMO COc1ccc2c(c1)NC1(CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC1)NS2(=O)=O ZINC000019454457 556764634 /nfs/dbraw/zinc/76/46/34/556764634.db2.gz VJGKXZMHHKAUDQ-UHFFFAOYSA-N 1 1 447.561 2.128 40 0 IEABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)[nH]c(=O)c3C2)CC1 ZINC000019495970 556768733 /nfs/dbraw/zinc/76/87/33/556768733.db2.gz HJKOHZLEYWHRHS-CGZBRXJRSA-N 1 1 437.610 2.105 40 0 IEABMO Cc1c2ccccc2oc1C[N@@H+]1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019566378 556807010 /nfs/dbraw/zinc/80/70/10/556807010.db2.gz SANKSHXRHWBJNL-SFHVURJKSA-N 1 1 442.541 2.479 40 0 IEABMO Cc1c2ccccc2oc1C[N@H+]1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 ZINC000019566378 556807012 /nfs/dbraw/zinc/80/70/12/556807012.db2.gz SANKSHXRHWBJNL-SFHVURJKSA-N 1 1 442.541 2.479 40 0 IEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591945 556827984 /nfs/dbraw/zinc/82/79/84/556827984.db2.gz SEQQHNPOKPRHME-QZTJIDSGSA-N 1 1 425.533 2.056 40 0 IEABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@@H+](C)Cc3cccnc3N(C)C)cc2)C1 ZINC000019698768 556857696 /nfs/dbraw/zinc/85/76/96/556857696.db2.gz GYWCMYXHUNCAGE-PKTZIBPZSA-N 1 1 437.588 2.430 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@H+](Cc3ccncc3)C1)C2=O ZINC000019699659 556859287 /nfs/dbraw/zinc/85/92/87/556859287.db2.gz SSQMZOBEGIYUHL-NRFANRHFSA-N 1 1 447.539 2.273 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@@H+](Cc3ccncc3)C1)C2=O ZINC000019699659 556859289 /nfs/dbraw/zinc/85/92/89/556859289.db2.gz SSQMZOBEGIYUHL-NRFANRHFSA-N 1 1 447.539 2.273 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@H+](Cc3ccccn3)C1)C2=O ZINC000019699662 556859298 /nfs/dbraw/zinc/85/92/98/556859298.db2.gz WXFKNIDZGDFLTD-OAQYLSRUSA-N 1 1 447.539 2.273 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@@H+](Cc3ccccn3)C1)C2=O ZINC000019699662 556859299 /nfs/dbraw/zinc/85/92/99/556859299.db2.gz WXFKNIDZGDFLTD-OAQYLSRUSA-N 1 1 447.539 2.273 40 0 IEABMO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C(C)C)[nH]n3)CC1)C2=O ZINC000019700679 556860104 /nfs/dbraw/zinc/86/01/04/556860104.db2.gz KYCCCDNCCUGVBJ-UHFFFAOYSA-N 1 1 444.580 2.182 40 0 IEABMO CNc1nc([C@@H]2CCCN2C(=O)C[N@@H+]2CCc3ccccc3C2)nc2c1CCN(C(C)=O)C2 ZINC000019707333 556866802 /nfs/dbraw/zinc/86/68/02/556866802.db2.gz HOHVVYIMJRCUNF-QFIPXVFZSA-N 1 1 448.571 2.145 40 0 IEABMO CNc1nc([C@@H]2CCCN2C(=O)C[N@H+]2CCc3ccccc3C2)nc2c1CCN(C(C)=O)C2 ZINC000019707333 556866804 /nfs/dbraw/zinc/86/68/04/556866804.db2.gz HOHVVYIMJRCUNF-QFIPXVFZSA-N 1 1 448.571 2.145 40 0 IEABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750093 556894385 /nfs/dbraw/zinc/89/43/85/556894385.db2.gz NGTGXBXWLOJTCY-JOCHJYFZSA-N 1 1 436.556 2.426 40 0 IEABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750093 556894386 /nfs/dbraw/zinc/89/43/86/556894386.db2.gz NGTGXBXWLOJTCY-JOCHJYFZSA-N 1 1 436.556 2.426 40 0 IEABMO COc1ccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 ZINC000019755958 556899285 /nfs/dbraw/zinc/89/92/85/556899285.db2.gz IRDBAZYTRRVNTF-HXUWFJFHSA-N 1 1 425.533 2.291 40 0 IEABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 ZINC000019755958 556899287 /nfs/dbraw/zinc/89/92/87/556899287.db2.gz IRDBAZYTRRVNTF-HXUWFJFHSA-N 1 1 425.533 2.291 40 0 IEABMO Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019761390 556904822 /nfs/dbraw/zinc/90/48/22/556904822.db2.gz BNIHCAJWHXQDDC-QGZVFWFLSA-N 1 1 432.528 2.284 40 0 IEABMO COc1ccc(C[N@H+](C)CC(=O)N2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1 ZINC000019765816 556910869 /nfs/dbraw/zinc/91/08/69/556910869.db2.gz CGPKLTMRBOQQII-UHFFFAOYSA-N 1 1 439.560 2.212 40 0 IEABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1 ZINC000019765816 556910873 /nfs/dbraw/zinc/91/08/73/556910873.db2.gz CGPKLTMRBOQQII-UHFFFAOYSA-N 1 1 439.560 2.212 40 0 IEABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@@H+](CC(C)(C)CN2CCOCC2)C4)no1 ZINC000072339440 556911660 /nfs/dbraw/zinc/91/16/60/556911660.db2.gz XWSQGKGKIQFBHO-UHFFFAOYSA-N 1 1 426.521 2.115 40 0 IEABMO COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](CC4=CCCOC4)C3)cc(=O)[nH]2)CC1 ZINC000072399216 556971788 /nfs/dbraw/zinc/97/17/88/556971788.db2.gz ZXVBNRBIQZERKL-HXUWFJFHSA-N 1 1 444.576 2.039 40 0 IEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020045335 556972857 /nfs/dbraw/zinc/97/28/57/556972857.db2.gz OLRFAIODLMAIDC-UHFFFAOYSA-N 1 1 427.530 2.353 40 0 IEABMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000105347932 557144008 /nfs/dbraw/zinc/14/40/08/557144008.db2.gz UAOHXMBTDCHQGE-DCIUSHLOSA-N 1 1 425.529 2.127 40 0 IEABMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 ZINC000096037692 557164836 /nfs/dbraw/zinc/16/48/36/557164836.db2.gz OLHYHKVOHMUULK-UHFFFAOYSA-N 1 1 438.576 2.407 40 0 IEABMO COc1cccc(C(=O)N2CCC3(CC2)[C@@H]2C[N@@H+](Cc4cccnc4)C[C@@H]2C(=O)N3C)c1 ZINC000096143572 557170479 /nfs/dbraw/zinc/17/04/79/557170479.db2.gz HUMBUCWOEFMUCN-FCHUYYIVSA-N 1 1 434.540 2.285 40 0 IEABMO COc1ccccc1[C@@H]1[NH+]=C(N2CCN(c3ccccn3)CC2)Nc2nc(C)cc(=O)n21 ZINC000009289622 557183626 /nfs/dbraw/zinc/18/36/26/557183626.db2.gz CLFNGOOQKYVRBR-OAQYLSRUSA-N 1 1 431.500 2.106 40 0 IEABMO CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)CCC2 ZINC000096251294 557188240 /nfs/dbraw/zinc/18/82/40/557188240.db2.gz IANZYWHTSXKXDD-XXBNENTESA-N 1 1 427.524 2.002 40 0 IEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccc(OC)cc2)CC3)C1=O ZINC000096262803 557190422 /nfs/dbraw/zinc/19/04/22/557190422.db2.gz NZLMBFSPXZTDEW-XMMPIXPASA-N 1 1 429.561 2.118 40 0 IEABMO C[N@H+]1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@@](O)(Cn2cccn2)C1 ZINC000585261890 557197659 /nfs/dbraw/zinc/19/76/59/557197659.db2.gz LLXDZLMLGWINRA-XMMPIXPASA-N 1 1 438.503 2.420 40 0 IEABMO C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@H]6CC[C@@H](C5)[N@@H+]6C)nc4c23)C1 ZINC000013566313 557344252 /nfs/dbraw/zinc/34/42/52/557344252.db2.gz ACHHTMXMBVPGDS-RDGKXADDSA-N 1 1 441.557 2.399 40 0 IEABMO C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000026109748 557439565 /nfs/dbraw/zinc/43/95/65/557439565.db2.gz MJHYBNHZGCQZPY-AWEZNQCLSA-N 1 1 434.389 2.309 40 0 IEABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019220910 557498031 /nfs/dbraw/zinc/49/80/31/557498031.db2.gz ZQBUOSPBAYGIMU-QFIPXVFZSA-N 1 1 447.518 2.347 40 0 IEABMO C[NH+]1CCN(N2CN=C3N[C@H](c4ccc(Cl)cc4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171503 557498436 /nfs/dbraw/zinc/49/84/36/557498436.db2.gz LTKZZJFOVBYCOE-FQEVSTJZSA-N 1 1 436.951 2.395 40 0 IEABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CC[NH+](C)CC3)cc2c1 ZINC000019499582 557499708 /nfs/dbraw/zinc/49/97/08/557499708.db2.gz MBVKYRZCYJQRMG-HXUWFJFHSA-N 1 1 439.564 2.395 40 0 IEABMO COc1cccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)c1OC ZINC000019589904 557500896 /nfs/dbraw/zinc/50/08/96/557500896.db2.gz PELOSHKKYZFQPE-FQEVSTJZSA-N 1 1 426.496 2.215 40 0 IEABMO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019826317 557508748 /nfs/dbraw/zinc/50/87/48/557508748.db2.gz RMYLYRWYGPEVCL-QFIPXVFZSA-N 1 1 429.528 2.208 40 0 IEABMO CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020026283 557514597 /nfs/dbraw/zinc/51/45/97/557514597.db2.gz JLGGAVLQDQXRRQ-UHFFFAOYSA-N 1 1 445.585 2.487 40 0 IEABMO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000223826049 557517601 /nfs/dbraw/zinc/51/76/01/557517601.db2.gz SMZFBBKIZYHZMT-GOSISDBHSA-N 1 1 445.585 2.414 40 0 IEABMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224578236 557626563 /nfs/dbraw/zinc/62/65/63/557626563.db2.gz KAPLATMRPQGGKC-KRWDZBQOSA-N 1 1 449.548 2.129 40 0 IEABMO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1N(C)S(C)(=O)=O ZINC000224750243 557647592 /nfs/dbraw/zinc/64/75/92/557647592.db2.gz WSCWRMJBEPAWMX-UHFFFAOYSA-N 1 1 431.558 2.153 40 0 IEABMO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CN1CCCC1 ZINC000585262270 568616429 /nfs/dbraw/zinc/61/64/29/568616429.db2.gz NLDZGQKKRMSZLN-SDZTWWDVSA-N 1 1 441.547 2.419 40 0 IEABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CN1CCCC1 ZINC000585262270 568616432 /nfs/dbraw/zinc/61/64/32/568616432.db2.gz NLDZGQKKRMSZLN-SDZTWWDVSA-N 1 1 441.547 2.419 40 0 IEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000260895435 568628278 /nfs/dbraw/zinc/62/82/78/568628278.db2.gz IJYFLDPQZGPZKM-ROUUACIJSA-N 1 1 425.570 2.465 40 0 IEABMO 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C[N@H+]1CCN(C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)[C@@H](c2ccccc2)C1 ZINC000019751668 569328352 /nfs/dbraw/zinc/32/83/52/569328352.db2.gz VVAASIUSRKUPSV-HSZRJFAPSA-N 1 1 444.535 2.294 40 0 IEABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)NCc4ccccc4)CC3)cs2)CC1 ZINC000225472317 291333093 /nfs/dbraw/zinc/33/30/93/291333093.db2.gz JNPFVCXKRFQLJM-UHFFFAOYSA-N 1 1 429.590 2.084 40 0 biogenic,in-vitro IEABMO COC[C@H]1CCC[N@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000067870909 291334219 /nfs/dbraw/zinc/33/42/19/291334219.db2.gz RAKWTAFPSLOAQY-RAUXBKROSA-N 1 1 442.025 2.440 40 0 biogenic,in-vitro IEABMO CCOc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000022388243 521380131 /nfs/dbraw/zinc/38/01/31/521380131.db2.gz GBUCOGNVPUSXMN-UHFFFAOYSA-N 1 1 431.558 2.196 40 0 IEABMO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](C4CCC4)C[C@@H]13)O2 ZINC000514287466 556624330 /nfs/dbraw/zinc/62/43/30/556624330.db2.gz DRZRHXXTFQHFPP-ZJOUEHCJSA-N 1 1 427.545 2.202 40 0 IEABMO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](C4CCC4)C[C@@H]13)O2 ZINC000514287466 556624333 /nfs/dbraw/zinc/62/43/33/556624333.db2.gz DRZRHXXTFQHFPP-ZJOUEHCJSA-N 1 1 427.545 2.202 40 0 IEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000018217488 556687433 /nfs/dbraw/zinc/68/74/33/556687433.db2.gz PHGXDFLLKUVVDG-UHFFFAOYSA-N 1 1 443.569 2.233 40 0 IEABMO C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1)N1CCCC1=O ZINC000019077712 556694940 /nfs/dbraw/zinc/69/49/40/556694940.db2.gz HIZNKYMNVCHKJN-DLBZAZTESA-N 1 1 441.576 2.200 40 0 IEABMO C[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)C1 ZINC000257261341 556712629 /nfs/dbraw/zinc/71/26/29/556712629.db2.gz LGXBOONGAKKKOO-KUVYTWDVSA-N 1 1 429.605 2.018 40 0 IEABMO C[N@H+]1CCC[C@@H](C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)C1 ZINC000257261341 556712631 /nfs/dbraw/zinc/71/26/31/556712631.db2.gz LGXBOONGAKKKOO-KUVYTWDVSA-N 1 1 429.605 2.018 40 0 IEABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(OC)c(Cn2cccn2)c1 ZINC000257289607 556715869 /nfs/dbraw/zinc/71/58/69/556715869.db2.gz PZKGIYZDUPUEGM-QFIPXVFZSA-N 1 1 447.539 2.013 40 0 IEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(OC)c(Cn2cccn2)c1 ZINC000257289607 556715871 /nfs/dbraw/zinc/71/58/71/556715871.db2.gz PZKGIYZDUPUEGM-QFIPXVFZSA-N 1 1 447.539 2.013 40 0 IEABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](Cc4ccncc4)C3)nc2C1 ZINC000019347705 556743402 /nfs/dbraw/zinc/74/34/02/556743402.db2.gz RGOARHQOKSGFJC-KRWDZBQOSA-N 1 1 433.487 2.492 40 0 IEABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2C1 ZINC000019347693 556743584 /nfs/dbraw/zinc/74/35/84/556743584.db2.gz YNHKFVKFUIEBJX-INIZCTEOSA-N 1 1 433.487 2.492 40 0 IEABMO O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349268 556744127 /nfs/dbraw/zinc/74/41/27/556744127.db2.gz KHXUNOCEVSQHEM-UXHICEINSA-N 1 1 426.492 2.310 40 0 IEABMO O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349268 556744128 /nfs/dbraw/zinc/74/41/28/556744128.db2.gz KHXUNOCEVSQHEM-UXHICEINSA-N 1 1 426.492 2.310 40 0 IEABMO O=C(c1cnccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349317 556744262 /nfs/dbraw/zinc/74/42/62/556744262.db2.gz PFGXFWHSJQUNPB-HXUWFJFHSA-N 1 1 434.475 2.235 40 0 IEABMO O=C(c1cnccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349317 556744264 /nfs/dbraw/zinc/74/42/64/556744264.db2.gz PFGXFWHSJQUNPB-HXUWFJFHSA-N 1 1 434.475 2.235 40 0 IEABMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372527 556749198 /nfs/dbraw/zinc/74/91/98/556749198.db2.gz OWFUCPOJLPGLBM-NJDAHSKKSA-N 1 1 444.528 2.060 40 0 IEABMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372527 556749199 /nfs/dbraw/zinc/74/91/99/556749199.db2.gz OWFUCPOJLPGLBM-NJDAHSKKSA-N 1 1 444.528 2.060 40 0 IEABMO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019448321 556757414 /nfs/dbraw/zinc/75/74/14/556757414.db2.gz LUWVTUUJFUEKES-LJQANCHMSA-N 1 1 432.546 2.071 40 0 IEABMO COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)c1 ZINC000019448249 556757662 /nfs/dbraw/zinc/75/76/62/556757662.db2.gz CMKHEURBZDDBGR-HXUWFJFHSA-N 1 1 440.544 2.460 40 0 IEABMO COc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)ccc1OC(C)C ZINC000019450776 556761490 /nfs/dbraw/zinc/76/14/90/556761490.db2.gz MTLSHHSJWGPNTA-UHFFFAOYSA-N 1 1 428.533 2.415 40 0 IEABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc(OC)nc2)C3)c(OCC)n1 ZINC000019531671 556792377 /nfs/dbraw/zinc/79/23/77/556792377.db2.gz ROWCQWDNVHGFNW-AQKKSAQBSA-N 1 1 429.521 2.192 40 0 IEABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cnc(OC)nc2)C3)c(OCC)n1 ZINC000019531671 556792379 /nfs/dbraw/zinc/79/23/79/556792379.db2.gz ROWCQWDNVHGFNW-AQKKSAQBSA-N 1 1 429.521 2.192 40 0 IEABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCOC4)[nH]c(=O)c3C2)cc1 ZINC000019555514 556798431 /nfs/dbraw/zinc/79/84/31/556798431.db2.gz MXFAMQBQRSOSMT-UTKZUKDTSA-N 1 1 438.528 2.449 40 0 IEABMO CN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 ZINC000019589771 556824636 /nfs/dbraw/zinc/82/46/36/556824636.db2.gz KSOKEWYSXLCENQ-VXKWHMMOSA-N 1 1 434.588 2.066 40 0 IEABMO C[NH+]1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)CC1 ZINC000019590122 556824991 /nfs/dbraw/zinc/82/49/91/556824991.db2.gz AEGYSRGFQMIZRZ-IBGZPJMESA-N 1 1 444.543 2.100 40 0 IEABMO COc1ccc(CN(Cc2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]2CCCO2)cc1OC ZINC000019590139 556825001 /nfs/dbraw/zinc/82/50/01/556825001.db2.gz AAMSRLQJBKTTNZ-NRFANRHFSA-N 1 1 441.576 2.427 40 0 IEABMO COCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2OC)C3)C1 ZINC000019593090 556829428 /nfs/dbraw/zinc/82/94/28/556829428.db2.gz MVMQSDCWZUTOKY-QGZVFWFLSA-N 1 1 426.517 2.102 40 0 IEABMO COCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2OC)C3)C1 ZINC000019593090 556829432 /nfs/dbraw/zinc/82/94/32/556829432.db2.gz MVMQSDCWZUTOKY-QGZVFWFLSA-N 1 1 426.517 2.102 40 0 IEABMO CN(C)c1cc([C@@H]2CC(=O)N(C)C2)nc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000019697516 556854792 /nfs/dbraw/zinc/85/47/92/556854792.db2.gz PZSIBYPAYYJVPT-GOSISDBHSA-N 1 1 442.608 2.117 40 0 IEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000019710307 556872516 /nfs/dbraw/zinc/87/25/16/556872516.db2.gz KFPSCGLVWANQAX-OAHLLOKOSA-N 1 1 431.562 2.083 40 0 IEABMO CNc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710441 556873052 /nfs/dbraw/zinc/87/30/52/556873052.db2.gz LBRIVERSYHGOQE-GOSISDBHSA-N 1 1 442.608 2.393 40 0 IEABMO CNc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710441 556873054 /nfs/dbraw/zinc/87/30/54/556873054.db2.gz LBRIVERSYHGOQE-GOSISDBHSA-N 1 1 442.608 2.393 40 0 IEABMO CNc1nc(C2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019710830 556874544 /nfs/dbraw/zinc/87/45/44/556874544.db2.gz OGTQYJWFUNYLRA-UHFFFAOYSA-N 1 1 442.608 2.393 40 0 IEABMO Cc1nn(C)c2nc(C3CCN(C(=O)C[C@@H]4C(=O)NCC[N@H+]4C4CCCC4)CC3)ccc12 ZINC000019744624 556891013 /nfs/dbraw/zinc/89/10/13/556891013.db2.gz XSIOMPKXQLFPAJ-OAQYLSRUSA-N 1 1 438.576 2.116 40 0 IEABMO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000019746208 556892242 /nfs/dbraw/zinc/89/22/42/556892242.db2.gz WYQKFBRPLXYSPR-CQSZACIVSA-N 1 1 439.438 2.447 40 0 IEABMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000019746207 556892333 /nfs/dbraw/zinc/89/23/33/556892333.db2.gz WYQKFBRPLXYSPR-AWEZNQCLSA-N 1 1 439.438 2.447 40 0 IEABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000019751176 556895215 /nfs/dbraw/zinc/89/52/15/556895215.db2.gz HJMOWQWUMACWGI-JOCHJYFZSA-N 1 1 436.556 2.426 40 0 IEABMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000019751176 556895219 /nfs/dbraw/zinc/89/52/19/556895219.db2.gz HJMOWQWUMACWGI-JOCHJYFZSA-N 1 1 436.556 2.426 40 0 IEABMO O=C(NCCO)c1cc([C@@H]2CC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)nc2ccccc21 ZINC000019762703 556907525 /nfs/dbraw/zinc/90/75/25/556907525.db2.gz BABCVWUOFOBKJX-GOSISDBHSA-N 1 1 446.555 2.337 40 0 IEABMO CNc1nc(C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)nc2c1CC[N@H+](C)C2 ZINC000072372406 556942576 /nfs/dbraw/zinc/94/25/76/556942576.db2.gz BQIUFLVJBRMHII-UHFFFAOYSA-N 1 1 445.589 2.392 40 0 IEABMO CNc1nc(C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000072372406 556942580 /nfs/dbraw/zinc/94/25/80/556942580.db2.gz BQIUFLVJBRMHII-UHFFFAOYSA-N 1 1 445.589 2.392 40 0 IEABMO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000585106199 557039717 /nfs/dbraw/zinc/03/97/17/557039717.db2.gz BUJSAQYKZVJCIH-YADHBBJMSA-N 1 1 439.581 2.396 40 0 IEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000409386865 557098685 /nfs/dbraw/zinc/09/86/85/557098685.db2.gz GXDOQAWVUMXDGN-UHFFFAOYSA-N 1 1 431.558 2.050 40 0 IEABMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000105349258 557144001 /nfs/dbraw/zinc/14/40/01/557144001.db2.gz AGIHIDZNRIRCTO-RABSLMHOSA-N 1 1 445.947 2.472 40 0 IEABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1 ZINC000096052953 557166458 /nfs/dbraw/zinc/16/64/58/557166458.db2.gz WTRKDCDMPJKXRO-LJQANCHMSA-N 1 1 433.556 2.302 40 0 IEABMO COc1ccc(CN2CCC[C@]3(C(=O)N(C)C)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096083061 557168544 /nfs/dbraw/zinc/16/85/44/557168544.db2.gz JQXSHFWASXCVOP-URXFXBBRSA-N 1 1 425.577 2.231 40 0 IEABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144409 557172480 /nfs/dbraw/zinc/17/24/80/557172480.db2.gz PRNQZZXZUIVIIV-DEOSSOPVSA-N 1 1 425.577 2.434 40 0 IEABMO CC[N@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Nc3cccc(OC)c3)CC[C@@H]12 ZINC000096145326 557174589 /nfs/dbraw/zinc/17/45/89/557174589.db2.gz OROGARLEWJMRJQ-NFBKMPQASA-N 1 1 430.549 2.262 40 0 IEABMO Cc1ccc(N2CC[N@H+](CC3CC3)C3(CCN(C(=O)C4CCOCC4)CC3)C2=O)cn1 ZINC000096230396 557184861 /nfs/dbraw/zinc/18/48/61/557184861.db2.gz OTGDXAMDYDGZEG-UHFFFAOYSA-N 1 1 426.561 2.236 40 0 IEABMO Cc1ccc(N2CC[N@@H+](CC3CC3)C3(CCN(C(=O)C4CCOCC4)CC3)C2=O)cn1 ZINC000096230396 557184865 /nfs/dbraw/zinc/18/48/65/557184865.db2.gz OTGDXAMDYDGZEG-UHFFFAOYSA-N 1 1 426.561 2.236 40 0 IEABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)N4CCOCC4)CC3)c3ccccc32)CC1 ZINC000096242272 557186266 /nfs/dbraw/zinc/18/62/66/557186266.db2.gz WEOSTBCYXDCUHR-FQEVSTJZSA-N 1 1 440.588 2.124 40 0 IEABMO Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096251303 557188326 /nfs/dbraw/zinc/18/83/26/557188326.db2.gz JKWDJLFDLNKZSX-RDGATRHJSA-N 1 1 437.588 2.100 40 0 IEABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cnc(C)cn1)CC3 ZINC000096262460 557189929 /nfs/dbraw/zinc/18/99/29/557189929.db2.gz WOZFQSJJCDUDOC-GBXCKJPGSA-N 1 1 425.577 2.362 40 0 IEABMO CCc1nn2c(nnc(C(=O)N3CC[NH+](CC)CC3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000096301121 557194620 /nfs/dbraw/zinc/19/46/20/557194620.db2.gz QCKCKFYSDITOHP-UHFFFAOYSA-N 1 1 438.532 2.457 40 0 IEABMO Cn1ccnc1COc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585269663 557213778 /nfs/dbraw/zinc/21/37/78/557213778.db2.gz HIQSNHZPLGEULU-DQEYMECFSA-N 1 1 447.583 2.366 40 0 IEABMO Cn1ccnc1COc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585269663 557213783 /nfs/dbraw/zinc/21/37/83/557213783.db2.gz HIQSNHZPLGEULU-DQEYMECFSA-N 1 1 447.583 2.366 40 0 IEABMO CC(=O)NCCCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585280235 557220128 /nfs/dbraw/zinc/22/01/28/557220128.db2.gz KFSFLSXRGFRDLY-DEOSSOPVSA-N 1 1 446.519 2.373 40 0 IEABMO CC(=O)NCCCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585280235 557220129 /nfs/dbraw/zinc/22/01/29/557220129.db2.gz KFSFLSXRGFRDLY-DEOSSOPVSA-N 1 1 446.519 2.373 40 0 IEABMO O[C@H]1CC[N@@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282755 557222108 /nfs/dbraw/zinc/22/21/08/557222108.db2.gz NNJQGLJPIWFFOV-UPVQGACJSA-N 1 1 448.510 2.173 40 0 IEABMO Cc1ccccc1N1CCC(O)(C[N@H+]2CC[C@@H]3[C@H](C2)CCCCN3S(C)(=O)=O)CC1 ZINC000585283251 557222829 /nfs/dbraw/zinc/22/28/29/557222829.db2.gz MLOBWBXJSQAWKB-RBBKRZOGSA-N 1 1 435.634 2.462 40 0 IEABMO Cc1cccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)c1 ZINC000585284139 557222843 /nfs/dbraw/zinc/22/28/43/557222843.db2.gz VFLKQIAIJLIYGX-ZCYQVOJMSA-N 1 1 444.547 2.342 40 0 IEABMO Cc1ccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)cc1 ZINC000585284368 557224066 /nfs/dbraw/zinc/22/40/66/557224066.db2.gz XJACFQMWPSJDBH-ZCYQVOJMSA-N 1 1 444.547 2.342 40 0 IEABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287199 557225880 /nfs/dbraw/zinc/22/58/80/557225880.db2.gz KWULLHISOFUOMA-XMMPIXPASA-N 1 1 430.520 2.299 40 0 IEABMO OC1(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287558 557227645 /nfs/dbraw/zinc/22/76/45/557227645.db2.gz OJIWURFCMWEFEV-DEOSSOPVSA-N 1 1 448.510 2.438 40 0 IEABMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220448753 557295870 /nfs/dbraw/zinc/29/58/70/557295870.db2.gz KKIJTQJHTPCIQF-MRXNPFEDSA-N 1 1 437.512 2.464 40 0 IEABMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000105348845 557331074 /nfs/dbraw/zinc/33/10/74/557331074.db2.gz FIWJEROXCFEZOZ-SLCVKKPGSA-N 1 1 425.529 2.073 40 0 IEABMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000026109740 557439583 /nfs/dbraw/zinc/43/95/83/557439583.db2.gz MJHYBNHZGCQZPY-CQSZACIVSA-N 1 1 434.389 2.309 40 0 IEABMO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000223606955 557491116 /nfs/dbraw/zinc/49/11/16/557491116.db2.gz CPRNPVIGMRJRLR-CQSZACIVSA-N 1 1 437.591 2.499 40 0 IEABMO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000223606955 557491120 /nfs/dbraw/zinc/49/11/20/557491120.db2.gz CPRNPVIGMRJRLR-CQSZACIVSA-N 1 1 437.591 2.499 40 0 IEABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019220907 557498049 /nfs/dbraw/zinc/49/80/49/557498049.db2.gz ZQBUOSPBAYGIMU-JOCHJYFZSA-N 1 1 447.518 2.347 40 0 IEABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[N@H+]3CCC[C@@H](C)C3)s2)cc1 ZINC000223719909 557505984 /nfs/dbraw/zinc/50/59/84/557505984.db2.gz PEZCXWITYAAWTK-OAHLLOKOSA-N 1 1 437.591 2.499 40 0 IEABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)s2)cc1 ZINC000223719909 557505987 /nfs/dbraw/zinc/50/59/87/557505987.db2.gz PEZCXWITYAAWTK-OAHLLOKOSA-N 1 1 437.591 2.499 40 0 IEABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019826319 557508815 /nfs/dbraw/zinc/50/88/15/557508815.db2.gz RMYLYRWYGPEVCL-JOCHJYFZSA-N 1 1 429.528 2.208 40 0 IEABMO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000224177894 557571327 /nfs/dbraw/zinc/57/13/27/557571327.db2.gz JQGNIEXYZCLRRP-UHFFFAOYSA-N 1 1 435.521 2.103 40 0 IEABMO CCN(Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224451354 557607594 /nfs/dbraw/zinc/60/75/94/557607594.db2.gz OERPCVSHKGPLAE-UHFFFAOYSA-N 1 1 445.585 2.350 40 0 IEABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1Cl ZINC000224578590 557626604 /nfs/dbraw/zinc/62/66/04/557626604.db2.gz JZGLFABCQQHXQR-UHFFFAOYSA-N 1 1 435.977 2.446 40 0 IEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000225539919 557738858 /nfs/dbraw/zinc/73/88/58/557738858.db2.gz IJYFLDPQZGPZKM-QZTJIDSGSA-N 1 1 425.570 2.465 40 0 IEABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)C[N@@H+]21 ZINC000015708649 560096330 /nfs/dbraw/zinc/09/63/30/560096330.db2.gz FKSZDXDYAWWURP-KSZLIROESA-N 1 1 435.956 2.051 40 0 biogenic,in-vitro IEABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)C[N@H+]21 ZINC000015708649 560096332 /nfs/dbraw/zinc/09/63/32/560096332.db2.gz FKSZDXDYAWWURP-KSZLIROESA-N 1 1 435.956 2.051 40 0 biogenic,in-vitro IEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21)Nc1ccccc1 ZINC000015708115 560096599 /nfs/dbraw/zinc/09/65/99/560096599.db2.gz GJJCMTDJCKVQOI-ZCNNSNEGSA-N 1 1 437.569 2.333 40 0 biogenic,in-vitro IEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@H+]21)Nc1ccccc1 ZINC000015708115 560096601 /nfs/dbraw/zinc/09/66/01/560096601.db2.gz GJJCMTDJCKVQOI-ZCNNSNEGSA-N 1 1 437.569 2.333 40 0 biogenic,in-vitro IEABMO COCCOc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000585269837 568616668 /nfs/dbraw/zinc/61/66/68/568616668.db2.gz LVCFJPMXJHQUPQ-GOTSBHOMSA-N 1 1 441.572 2.088 40 0 IEABMO COCCOc1cc(CN2C[C@H](O)[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000585269837 568616669 /nfs/dbraw/zinc/61/66/69/568616669.db2.gz LVCFJPMXJHQUPQ-GOTSBHOMSA-N 1 1 441.572 2.088 40 0 IEABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)cc1 ZINC000585269951 568616864 /nfs/dbraw/zinc/61/68/64/568616864.db2.gz QWTWSALFFQAFQO-VWLOTQADSA-N 1 1 444.572 2.152 40 0 IEABMO COc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccc(OCCOCCO)cc3)C2)cc1 ZINC000585269951 568616865 /nfs/dbraw/zinc/61/68/65/568616865.db2.gz QWTWSALFFQAFQO-VWLOTQADSA-N 1 1 444.572 2.152 40 0 IEABMO COc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCOCCO)cc3)C2)cc1 ZINC000585269951 568616868 /nfs/dbraw/zinc/61/68/68/568616868.db2.gz QWTWSALFFQAFQO-VWLOTQADSA-N 1 1 444.572 2.152 40 0 IEABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)N1CC(=O)Nc2ccccc21 ZINC000257218891 568673695 /nfs/dbraw/zinc/67/36/95/568673695.db2.gz DESVXEFBIKCTIT-DHLKQENFSA-N 1 1 434.540 2.073 40 0 IEABMO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1cccn1 ZINC000257219452 568674087 /nfs/dbraw/zinc/67/40/87/568674087.db2.gz DGVJCTTXVMVKQJ-QHCPKHFHSA-N 1 1 431.540 2.047 40 0 IEABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1cccn1 ZINC000257219452 568674091 /nfs/dbraw/zinc/67/40/91/568674091.db2.gz DGVJCTTXVMVKQJ-QHCPKHFHSA-N 1 1 431.540 2.047 40 0 IEABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3nccs3)CCO2)CC1 ZINC000257253290 568690148 /nfs/dbraw/zinc/69/01/48/568690148.db2.gz JYHNULPNCQJFHG-JOCHJYFZSA-N 1 1 448.564 2.096 40 0 IEABMO Cc1ncoc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257287375 568705593 /nfs/dbraw/zinc/70/55/93/568705593.db2.gz PPQKIPSNZIMLPI-ICSRJNTNSA-N 1 1 426.517 2.057 40 0 IEABMO CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CCN2CCOCC2)C1)C1CCCCC1 ZINC000257290958 568707167 /nfs/dbraw/zinc/70/71/67/568707167.db2.gz QFARGVNYSZHJFM-SFHVURJKSA-N 1 1 431.581 2.243 40 0 IEABMO CCn1cc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)[N@@H+](C)C[C@]3(NC(C)=O)C2)c(C)n1 ZINC000257309866 568715378 /nfs/dbraw/zinc/71/53/78/568715378.db2.gz UCSKJKBBUFXVNG-HUVFLSCGSA-N 1 1 438.576 2.033 40 0 IEABMO Cc1nccn1C[C@@]1(O)CN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)CC[N@H+](C)C1 ZINC000257344808 568730451 /nfs/dbraw/zinc/73/04/51/568730451.db2.gz ZYTCZMDNTLDMOO-XMMPIXPASA-N 1 1 449.559 2.161 40 0 IEABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)s1 ZINC000306127103 568764420 /nfs/dbraw/zinc/76/44/20/568764420.db2.gz FOKLNWZOKSAIPA-HXUWFJFHSA-N 1 1 429.571 2.136 40 0 IEABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 ZINC000306128597 568765259 /nfs/dbraw/zinc/76/52/59/568765259.db2.gz HFTALTYKJCZQKB-XMMPIXPASA-N 1 1 440.544 2.169 40 0 IEABMO Cc1ccc(C[N@H+]2CC[C@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)s1 ZINC000306143228 568773112 /nfs/dbraw/zinc/77/31/12/568773112.db2.gz XWSZNWAGTNAJGK-FQEVSTJZSA-N 1 1 429.571 2.037 40 0 IEABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329057812 568810538 /nfs/dbraw/zinc/81/05/38/568810538.db2.gz VZXXTOHAXWMQCZ-GOSISDBHSA-N 1 1 433.578 2.239 40 0 IEABMO COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000252527505 569208261 /nfs/dbraw/zinc/20/82/61/569208261.db2.gz CSOJIBDUSPFKHQ-HOJAQTOUSA-N 1 1 428.533 2.091 40 0 IEABMO CN1CCN(c2nccc(C[N@H+]3C[C@@H]4CCC[C@@](O)(c5ccc(F)cc5)[C@@H]4C3)n2)CC1 ZINC000019590145 569227215 /nfs/dbraw/zinc/22/72/15/569227215.db2.gz UCOUXTFXVNJXJE-KUWBRRTOSA-N 1 1 425.552 2.487 40 0 IEABMO Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000028209582 569242932 /nfs/dbraw/zinc/24/29/32/569242932.db2.gz KRWVLRSEQSCSFG-NRFANRHFSA-N 1 1 441.553 2.019 40 0 IEABMO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C(C)C)CC2=O ZINC000253401918 569265000 /nfs/dbraw/zinc/26/50/00/569265000.db2.gz NSETVPQDIKIKTH-YGICRIAWSA-N 1 1 443.588 2.463 40 0 IEABMO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C(C)C)CC2=O ZINC000253401918 569265001 /nfs/dbraw/zinc/26/50/01/569265001.db2.gz NSETVPQDIKIKTH-YGICRIAWSA-N 1 1 443.588 2.463 40 0 IEABMO COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23C=C[C@@H]1[C@@]1(C)Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316399 291333708 /nfs/dbraw/zinc/33/37/08/291333708.db2.gz QCYVGCPBTZGMEM-SZTGVVSUSA-N 1 1 439.508 2.109 40 0 biogenic,in-vitro IEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 ZINC000072345731 522687968 /nfs/dbraw/zinc/68/79/68/522687968.db2.gz MGDGSZYBJRPKOW-SFHVURJKSA-N 1 1 429.590 2.258 40 0 IEABMO O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCC[NH+]1CCOCC1 ZINC000408597690 555955538 /nfs/dbraw/zinc/95/55/38/555955538.db2.gz VVIZPFZJUGOVBV-UHFFFAOYSA-N 1 1 437.606 2.069 40 0 IEABMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408596920 555964376 /nfs/dbraw/zinc/96/43/76/555964376.db2.gz UZSUJSZTIRIVGD-HXUWFJFHSA-N 1 1 435.977 2.394 40 0 IEABMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408620883 555989960 /nfs/dbraw/zinc/98/99/60/555989960.db2.gz KCIIXHAKXGCUNO-UHFFFAOYSA-N 1 1 445.585 2.440 40 0 IEABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000408625487 555995993 /nfs/dbraw/zinc/99/59/93/555995993.db2.gz VJCLGUITUVWNNH-UHFFFAOYSA-N 1 1 445.585 2.337 40 0 IEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2C)CC1 ZINC000408675070 556066436 /nfs/dbraw/zinc/06/64/36/556066436.db2.gz QKJNIPMMCNRQNU-UHFFFAOYSA-N 1 1 447.557 2.347 40 0 IEABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922590 556341277 /nfs/dbraw/zinc/34/12/77/556341277.db2.gz PMFDYQUBFBOXRP-DWLFOUALSA-N 1 1 444.963 2.403 40 0 biogenic,in-vitro IEABMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000015321529 556520778 /nfs/dbraw/zinc/52/07/78/556520778.db2.gz RLHZBPXHORHYBT-OAQYLSRUSA-N 1 1 448.523 2.146 40 0 IEABMO CS(=O)(=O)N1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000038756362 556618097 /nfs/dbraw/zinc/61/80/97/556618097.db2.gz QLGVRNRQXVSQNT-FQEVSTJZSA-N 1 1 449.960 2.211 40 0 IEABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(C4CCC(F)(F)CC4)C3)C2)c1 ZINC000514289269 556625524 /nfs/dbraw/zinc/62/55/24/556625524.db2.gz KOUMWNSFRSGPLF-LEWJYISDSA-N 1 1 449.542 2.356 40 0 biogenic,in-vitro IEABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(C4CCC(F)(F)CC4)C3)C2)c1 ZINC000514289269 556625525 /nfs/dbraw/zinc/62/55/25/556625525.db2.gz KOUMWNSFRSGPLF-LEWJYISDSA-N 1 1 449.542 2.356 40 0 biogenic,in-vitro IEABMO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1)N1CCCC1=O ZINC000019077707 556694842 /nfs/dbraw/zinc/69/48/42/556694842.db2.gz HIZNKYMNVCHKJN-IAGOWNOFSA-N 1 1 441.576 2.200 40 0 IEABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000257341779 556707103 /nfs/dbraw/zinc/70/71/03/556707103.db2.gz ZLXZFLXEOXXTCU-HSZRJFAPSA-N 1 1 445.523 2.484 40 0 IEABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000257341779 556707107 /nfs/dbraw/zinc/70/71/07/556707107.db2.gz ZLXZFLXEOXXTCU-HSZRJFAPSA-N 1 1 445.523 2.484 40 0 IEABMO O=C(CN1CCCCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257227490 556708629 /nfs/dbraw/zinc/70/86/29/556708629.db2.gz FPNZVPZCANDWFX-GNKBHMEESA-N 1 1 443.632 2.287 40 0 IEABMO O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019292045 556731657 /nfs/dbraw/zinc/73/16/57/556731657.db2.gz KCUVWRKZHWZBKN-UHFFFAOYSA-N 1 1 441.620 2.236 40 0 IEABMO O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019293504 556732846 /nfs/dbraw/zinc/73/28/46/556732846.db2.gz YBFHULVVHLWQSA-SFHVURJKSA-N 1 1 433.487 2.492 40 0 IEABMO O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019293504 556732849 /nfs/dbraw/zinc/73/28/49/556732849.db2.gz YBFHULVVHLWQSA-SFHVURJKSA-N 1 1 433.487 2.492 40 0 IEABMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019336303 556738530 /nfs/dbraw/zinc/73/85/30/556738530.db2.gz XEOWKWLOCQJPSD-OIISXLGYSA-N 1 1 433.965 2.098 40 0 IEABMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019336303 556738532 /nfs/dbraw/zinc/73/85/32/556738532.db2.gz XEOWKWLOCQJPSD-OIISXLGYSA-N 1 1 433.965 2.098 40 0 IEABMO c1cncc(CN(CCC[NH+]2CCOCC2)Cc2ccnc(N3CCSCC3)n2)c1 ZINC000019338603 556739375 /nfs/dbraw/zinc/73/93/75/556739375.db2.gz QGKOKCXYZILUOA-UHFFFAOYSA-N 1 1 428.606 2.149 40 0 IEABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](Cc4cccnc4)C3)nc2C1 ZINC000019347695 556743576 /nfs/dbraw/zinc/74/35/76/556743576.db2.gz KXGSNQFBLMTAOF-QGZVFWFLSA-N 1 1 433.487 2.492 40 0 IEABMO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1 ZINC000019370121 556747312 /nfs/dbraw/zinc/74/73/12/556747312.db2.gz PRAVMMUCUIRGTL-HXUWFJFHSA-N 1 1 429.524 2.282 40 0 IEABMO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1 ZINC000019370121 556747315 /nfs/dbraw/zinc/74/73/15/556747315.db2.gz PRAVMMUCUIRGTL-HXUWFJFHSA-N 1 1 429.524 2.282 40 0 IEABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450170 556761267 /nfs/dbraw/zinc/76/12/67/556761267.db2.gz ZVMBEDLESJLKKS-ROUUACIJSA-N 1 1 445.514 2.332 40 0 IEABMO CC(C)S(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019451038 556761889 /nfs/dbraw/zinc/76/18/89/556761889.db2.gz HYGXQTNMJCHLLJ-HNNXBMFYSA-N 1 1 436.603 2.307 40 0 IEABMO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)CN4CC[NH+](C)CC4)C3)cc2n1 ZINC000019452406 556763386 /nfs/dbraw/zinc/76/33/86/556763386.db2.gz ZIGUNXYVBMDNEJ-HNNXBMFYSA-N 1 1 438.498 2.435 40 0 IEABMO CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)c(C)n1 ZINC000019524654 556782054 /nfs/dbraw/zinc/78/20/54/556782054.db2.gz QCCOMOZITXCXCM-SFHVURJKSA-N 1 1 448.593 2.389 40 0 IEABMO 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O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@@H+](Cc3ccccn3)C1)C2=O ZINC000019699663 556859398 /nfs/dbraw/zinc/85/93/98/556859398.db2.gz WXFKNIDZGDFLTD-NRFANRHFSA-N 1 1 447.539 2.273 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@H+](Cc3cccnc3)C1)C2=O ZINC000019699692 556859438 /nfs/dbraw/zinc/85/94/38/556859438.db2.gz YVFQDCABYFFADF-OAQYLSRUSA-N 1 1 447.539 2.273 40 0 IEABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@@H+](Cc3cccnc3)C1)C2=O ZINC000019699692 556859442 /nfs/dbraw/zinc/85/94/42/556859442.db2.gz YVFQDCABYFFADF-OAQYLSRUSA-N 1 1 447.539 2.273 40 0 IEABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000019707307 556866477 /nfs/dbraw/zinc/86/64/77/556866477.db2.gz CYVYIGLKNABPNL-JOCHJYFZSA-N 1 1 448.571 2.145 40 0 IEABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000019707307 556866480 /nfs/dbraw/zinc/86/64/80/556866480.db2.gz CYVYIGLKNABPNL-JOCHJYFZSA-N 1 1 448.571 2.145 40 0 IEABMO 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CNC(=O)[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3C)c2)CCN1Cc1ccccc1 ZINC000585261736 557196342 /nfs/dbraw/zinc/19/63/42/557196342.db2.gz CWWRCMQELAMSRW-QHCPKHFHSA-N 1 1 431.540 2.312 40 0 IEABMO O[C@H]1CC[N@@H+](Cc2cccc(OCCn3ccnc3)c2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585281203 557220856 /nfs/dbraw/zinc/22/08/56/557220856.db2.gz GOEKMEUVFLNSTI-ZEQRLZLVSA-N 1 1 441.503 2.478 40 0 IEABMO O[C@H]1CC[N@@H+](Cc2cccc(OCCn3cccn3)c2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282111 557221122 /nfs/dbraw/zinc/22/11/22/557221122.db2.gz XUVNDMFCXGRBCP-ZEQRLZLVSA-N 1 1 441.503 2.478 40 0 IEABMO CCOC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1 ZINC000585283092 557222384 /nfs/dbraw/zinc/22/23/84/557222384.db2.gz PRAQZNTWYHGSQM-DEOSSOPVSA-N 1 1 447.576 2.198 40 0 IEABMO COCC(=O)N1CC[N@@H+](CC2(O)CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283094 557222446 /nfs/dbraw/zinc/22/24/46/557222446.db2.gz PSIGUOJXPVXYEO-RUZDIDTESA-N 1 1 448.604 2.289 40 0 IEABMO CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000100205067 557247235 /nfs/dbraw/zinc/24/72/35/557247235.db2.gz WORIEGXEKVXOGY-BGYRXZFFSA-N 1 1 445.608 2.379 40 0 IEABMO COc1cccc([C@@H]2CC[N@H+](CC(=O)NCCc3ccc(OC)c(OC)c3)C[C@@H]2O)c1 ZINC000057718590 557258871 /nfs/dbraw/zinc/25/88/71/557258871.db2.gz HNIWTUPMNMQCFA-SFTDATJTSA-N 1 1 428.529 2.222 40 0 IEABMO COc1cccc([C@@H]2CC[N@@H+](CC(=O)NCCc3ccc(OC)c(OC)c3)C[C@@H]2O)c1 ZINC000057718590 557258873 /nfs/dbraw/zinc/25/88/73/557258873.db2.gz HNIWTUPMNMQCFA-SFTDATJTSA-N 1 1 428.529 2.222 40 0 IEABMO COc1ccc(CCn2nnnc2[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000022929993 557274596 /nfs/dbraw/zinc/27/45/96/557274596.db2.gz RFGDYTPRADEFBE-QFIPXVFZSA-N 1 1 440.523 2.409 40 0 IEABMO COc1cccc(N([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000220164983 557283179 /nfs/dbraw/zinc/28/31/79/557283179.db2.gz ARTNTHBJYFFCFB-GOSISDBHSA-N 1 1 431.558 2.194 40 0 IEABMO C[C@H]1Cc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000223071084 557425837 /nfs/dbraw/zinc/42/58/37/557425837.db2.gz WHMBPVLGDMYZRF-SFHVURJKSA-N 1 1 443.569 2.279 40 0 IEABMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000026108759 557438320 /nfs/dbraw/zinc/43/83/20/557438320.db2.gz DMDHKCMVRQLMOO-UHFFFAOYSA-N 1 1 434.389 2.309 40 0 IEABMO COc1cccc(N(CCCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)c1 ZINC000223189832 557443397 /nfs/dbraw/zinc/44/33/97/557443397.db2.gz PDJFFFJTXUIRJI-GOSISDBHSA-N 1 1 425.595 2.480 40 0 IEABMO COc1ccc(OC)c([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000019589823 557501257 /nfs/dbraw/zinc/50/12/57/557501257.db2.gz CATPCSZPOTUKAD-OAQYLSRUSA-N 1 1 426.496 2.215 40 0 IEABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019940708 557510489 /nfs/dbraw/zinc/51/04/89/557510489.db2.gz KTOUXEFKEDDPET-HSZRJFAPSA-N 1 1 443.555 2.462 40 0 IEABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000223855485 557521415 /nfs/dbraw/zinc/52/14/15/557521415.db2.gz KMVQUHIZIJIQEF-UHFFFAOYSA-N 1 1 428.514 2.126 40 0 IEABMO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000224126458 557564469 /nfs/dbraw/zinc/56/44/69/557564469.db2.gz KKNPCTXRAALDRD-UHFFFAOYSA-N 1 1 431.558 2.272 40 0 IEABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000224270648 557583587 /nfs/dbraw/zinc/58/35/87/557583587.db2.gz ITGKBVMWRXKOOA-UHFFFAOYSA-N 1 1 442.541 2.299 40 0 IEABMO CCc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224548008 557620723 /nfs/dbraw/zinc/62/07/23/557620723.db2.gz LUQYPXBPOJGUMQ-UHFFFAOYSA-N 1 1 445.585 2.164 40 0 IEABMO Cc1cccc(C)c1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224549871 557620964 /nfs/dbraw/zinc/62/09/64/557620964.db2.gz PWARSKIMSGZXPU-UHFFFAOYSA-N 1 1 445.585 2.218 40 0 IEABMO CCc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224713796 557643344 /nfs/dbraw/zinc/64/33/44/557643344.db2.gz MCOOHSPJULZBGR-UHFFFAOYSA-N 1 1 445.585 2.164 40 0 IEABMO Cc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1C ZINC000224715977 557643608 /nfs/dbraw/zinc/64/36/08/557643608.db2.gz PUKDNUHJHLYXSW-UHFFFAOYSA-N 1 1 445.585 2.218 40 0 IEABMO CCN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)S(C)(=O)=O ZINC000224731602 557645252 /nfs/dbraw/zinc/64/52/52/557645252.db2.gz WGWNBMCBLZUDHQ-UHFFFAOYSA-N 1 1 431.558 2.235 40 0 IEABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[N@H+]3CCC[C@H](C)C3)s2)cc1 ZINC000260798125 557856426 /nfs/dbraw/zinc/85/64/26/557856426.db2.gz PEZCXWITYAAWTK-HNNXBMFYSA-N 1 1 437.591 2.499 40 0 IEABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C)C3)s2)cc1 ZINC000260798125 557856429 /nfs/dbraw/zinc/85/64/29/557856429.db2.gz PEZCXWITYAAWTK-HNNXBMFYSA-N 1 1 437.591 2.499 40 0 IEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@@H+]21)Nc1ccccc1 ZINC000015708095 560096493 /nfs/dbraw/zinc/09/64/93/560096493.db2.gz YLEOTHSOGDNDOL-KSZLIROESA-N 1 1 427.530 2.230 40 0 biogenic,in-vitro IEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@H+]21)Nc1ccccc1 ZINC000015708095 560096494 /nfs/dbraw/zinc/09/64/94/560096494.db2.gz YLEOTHSOGDNDOL-KSZLIROESA-N 1 1 427.530 2.230 40 0 biogenic,in-vitro IEABMO O[C@]1(CN2CCC(F)(F)CC2)CC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585274737 568618431 /nfs/dbraw/zinc/61/84/31/568618431.db2.gz ZUKKDSNWLJLQMC-QFIPXVFZSA-N 1 1 439.547 2.066 40 0 IEABMO O[C@]1(CN2CCC(F)(F)CC2)CC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585274737 568618432 /nfs/dbraw/zinc/61/84/32/568618432.db2.gz ZUKKDSNWLJLQMC-QFIPXVFZSA-N 1 1 439.547 2.066 40 0 IEABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585286032 568619074 /nfs/dbraw/zinc/61/90/74/568619074.db2.gz GYPLOCYCHBARBT-XMMPIXPASA-N 1 1 430.520 2.299 40 0 IEABMO OC1(C[N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287782 568619305 /nfs/dbraw/zinc/61/93/05/568619305.db2.gz RMXNEBCVJRXQRO-DEOSSOPVSA-N 1 1 448.510 2.438 40 0 IEABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC[C@@H]2O)CC1 ZINC000257222958 568675481 /nfs/dbraw/zinc/67/54/81/568675481.db2.gz DVHIJBUQMZDQBM-PMACEKPBSA-N 1 1 429.492 2.215 40 0 IEABMO Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000257244562 568685878 /nfs/dbraw/zinc/68/58/78/568685878.db2.gz ILWWWEDOXQWHIB-RXVVDRJESA-N 1 1 426.517 2.057 40 0 IEABMO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@](O)(Cn3cccn3)C2)cc1NCc1ccccn1 ZINC000257246612 568686823 /nfs/dbraw/zinc/68/68/23/568686823.db2.gz IUWLNWYHKVZNCC-DEOSSOPVSA-N 1 1 434.544 2.018 40 0 IEABMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 ZINC000257246748 568686950 /nfs/dbraw/zinc/68/69/50/568686950.db2.gz IVRBAACZOJHTAJ-QFIPXVFZSA-N 1 1 446.555 2.364 40 0 IEABMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 ZINC000257246748 568686953 /nfs/dbraw/zinc/68/69/53/568686953.db2.gz IVRBAACZOJHTAJ-QFIPXVFZSA-N 1 1 446.555 2.364 40 0 IEABMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 ZINC000257246747 568686962 /nfs/dbraw/zinc/68/69/62/568686962.db2.gz IVRBAACZOJHTAJ-JOCHJYFZSA-N 1 1 446.555 2.364 40 0 IEABMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 ZINC000257246747 568686965 /nfs/dbraw/zinc/68/69/65/568686965.db2.gz IVRBAACZOJHTAJ-JOCHJYFZSA-N 1 1 446.555 2.364 40 0 IEABMO Cc1nonc1CNC(=O)C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3C)cc2)C1 ZINC000257297532 568710412 /nfs/dbraw/zinc/71/04/12/568710412.db2.gz RHRUOOKACYIWDA-LJQANCHMSA-N 1 1 436.516 2.490 40 0 IEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257344266 568730196 /nfs/dbraw/zinc/73/01/96/568730196.db2.gz ZWJASZLZDYDCLQ-UGKGYDQZSA-N 1 1 447.551 2.012 40 0 IEABMO O=C(c1ccco1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2cccnc2)CC4)CC1 ZINC000306123926 568763014 /nfs/dbraw/zinc/76/30/14/568763014.db2.gz BAOKTBLNFRUQQD-UHFFFAOYSA-N 1 1 445.523 2.268 40 0 IEABMO O=C(c1ccco1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2cccnc2)CC4)CC1 ZINC000306123926 568763015 /nfs/dbraw/zinc/76/30/15/568763015.db2.gz BAOKTBLNFRUQQD-UHFFFAOYSA-N 1 1 445.523 2.268 40 0 IEABMO Cc1ccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)s1 ZINC000306127102 568764381 /nfs/dbraw/zinc/76/43/81/568764381.db2.gz FOKLNWZOKSAIPA-FQEVSTJZSA-N 1 1 429.571 2.136 40 0 IEABMO CCc1ccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 ZINC000306127211 568764659 /nfs/dbraw/zinc/76/46/59/568764659.db2.gz FRTTXFMGIRFPOR-QHCPKHFHSA-N 1 1 437.569 2.328 40 0 IEABMO CS(=O)(=O)NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc(C(F)(F)F)c(F)c3)C2)O1 ZINC000306130535 568766129 /nfs/dbraw/zinc/76/61/29/568766129.db2.gz JJABQMWCBJBCFC-PBHICJAKSA-N 1 1 440.459 2.144 40 0 IEABMO CS(=O)(=O)NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)C2)O1 ZINC000306130535 568766131 /nfs/dbraw/zinc/76/61/31/568766131.db2.gz JJABQMWCBJBCFC-PBHICJAKSA-N 1 1 440.459 2.144 40 0 IEABMO CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328999239 568808815 /nfs/dbraw/zinc/80/88/15/568808815.db2.gz JVCCEDNWPRPABE-LJQANCHMSA-N 1 1 433.578 2.239 40 0 IEABMO COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000252527507 569208253 /nfs/dbraw/zinc/20/82/53/569208253.db2.gz CSOJIBDUSPFKHQ-YZGWKJHDSA-N 1 1 428.533 2.091 40 0 IEABMO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2cnc[nH]2)CC1 ZINC000019699325 569230435 /nfs/dbraw/zinc/23/04/35/569230435.db2.gz ZREUWDKKTPLMLO-UHFFFAOYSA-N 1 1 436.560 2.003 40 0 IEABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C2)ncc1C(N)=O ZINC000019763693 569238080 /nfs/dbraw/zinc/23/80/80/569238080.db2.gz MJRAIGICJVGDGA-IBGZPJMESA-N 1 1 437.544 2.265 40 0 IEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000033681115 569245708 /nfs/dbraw/zinc/24/57/08/569245708.db2.gz RULJAJMYNBNKTE-UHFFFAOYSA-N 1 1 445.585 2.359 40 0 IEABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750150 569328355 /nfs/dbraw/zinc/32/83/55/569328355.db2.gz PKEGYGCJTIYQLM-QHCPKHFHSA-N 1 1 444.535 2.294 40 0 IEABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750150 569328356 /nfs/dbraw/zinc/32/83/56/569328356.db2.gz PKEGYGCJTIYQLM-QHCPKHFHSA-N 1 1 444.535 2.294 40 0 IEABMO C[NH+](C)CCNc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(-c2cccnc2)n1 ZINC000329045952 569582854 /nfs/dbraw/zinc/58/28/54/569582854.db2.gz TYFJPRMMEYTLCM-UHFFFAOYSA-N 1 1 428.522 2.720 40 0 IEABMO O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCN(c2ncccn2)CC1)Nc1ccccc1 ZINC000067870877 291338007 /nfs/dbraw/zinc/33/80/07/291338007.db2.gz FEFYAJMDOKWGIX-JAXLGGSGSA-N 1 1 435.576 2.131 40 0 biogenic,in-vitro IEABMO O=c1c(NS(=O)(=O)Cc2ccccc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000003841435 291339224 /nfs/dbraw/zinc/33/92/24/291339224.db2.gz MPOHAHQEEMULQX-RBUKOAKNSA-N 1 1 443.569 2.388 40 0 biogenic,in-vitro IEABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000022247774 521206545 /nfs/dbraw/zinc/20/65/45/521206545.db2.gz DQMFGWCDTYJTQQ-QFIPXVFZSA-N 1 1 445.585 2.139 40 0 IEABMO CC[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022232790 521663301 /nfs/dbraw/zinc/66/33/01/521663301.db2.gz DATGYYCWYIGUIZ-UHFFFAOYSA-N 1 1 449.548 2.335 40 0 IEABMO COc1ccc(CCN2Cn3c4ccccc4nc3N(N3CC[NH+](C)CC3)C2)cc1OC ZINC000020637255 523953239 /nfs/dbraw/zinc/95/32/39/523953239.db2.gz BHEBRYQBGUTZPH-UHFFFAOYSA-N 1 1 436.560 2.496 40 0 IEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000408586102 555936620 /nfs/dbraw/zinc/93/66/20/555936620.db2.gz AFNIIISBACUCMA-UHFFFAOYSA-N 1 1 435.521 2.112 40 0 IEABMO COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408589367 555940125 /nfs/dbraw/zinc/94/01/25/555940125.db2.gz FFQAJMWTBNDSFW-GOSISDBHSA-N 1 1 431.558 2.015 40 0 IEABMO Cc1cc(C)cc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c1 ZINC000408602130 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ZINC000013585387 557355816 /nfs/dbraw/zinc/35/58/16/557355816.db2.gz JXYJFCOYCGDPMM-UHFFFAOYSA-N 1 1 431.558 2.363 40 0 IEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000223510746 557480880 /nfs/dbraw/zinc/48/08/80/557480880.db2.gz SQKWTTHGRROSHL-UHFFFAOYSA-N 1 1 428.514 2.272 40 0 IEABMO COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000020121125 557515520 /nfs/dbraw/zinc/51/55/20/557515520.db2.gz BQTLMDKFTZLUQJ-NRFANRHFSA-N 1 1 426.496 2.215 40 0 IEABMO COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000020121123 557515524 /nfs/dbraw/zinc/51/55/24/557515524.db2.gz BQTLMDKFTZLUQJ-OAQYLSRUSA-N 1 1 426.496 2.215 40 0 IEABMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224579114 557626787 /nfs/dbraw/zinc/62/67/87/557626787.db2.gz DTTAYUCXKXWYIX-QGZVFWFLSA-N 1 1 449.548 2.129 40 0 IEABMO COc1ccc(N(CCCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 ZINC000224656737 557636890 /nfs/dbraw/zinc/63/68/90/557636890.db2.gz FASCYRPZFCBSLL-GOSISDBHSA-N 1 1 425.595 2.480 40 0 IEABMO Cc1cc(C)cc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224713660 557643440 /nfs/dbraw/zinc/64/34/40/557643440.db2.gz HGEMJQKINHUAGG-UHFFFAOYSA-N 1 1 445.585 2.218 40 0 IEABMO CCc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224718807 557643668 /nfs/dbraw/zinc/64/36/68/557643668.db2.gz BMZWLNIWDLZJKN-UHFFFAOYSA-N 1 1 445.585 2.164 40 0 IEABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224734183 557645426 /nfs/dbraw/zinc/64/54/26/557645426.db2.gz SAIJTZNYMVLHJG-QFIPXVFZSA-N 1 1 445.585 2.380 40 0 IEABMO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc21 ZINC000224754849 557647916 /nfs/dbraw/zinc/64/79/16/557647916.db2.gz SSXGSNKDZYCRNZ-UHFFFAOYSA-N 1 1 443.569 2.296 40 0 IEABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224816275 557654994 /nfs/dbraw/zinc/65/49/94/557654994.db2.gz OHIJERDUGLOMED-UHFFFAOYSA-N 1 1 431.558 2.294 40 0 IEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000225548326 557740415 /nfs/dbraw/zinc/74/04/15/557740415.db2.gz DPDUQCVUUDNDAB-UHFFFAOYSA-N 1 1 430.505 2.398 40 0 IEABMO C[NH+]1CCN(C(=O)CCc2nc(-c3ccc(I)cc3)no2)CC1 ZINC000225839601 557784014 /nfs/dbraw/zinc/78/40/14/557784014.db2.gz AYJCUGNUQDANQY-UHFFFAOYSA-N 1 1 426.258 2.048 40 0 IEABMO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccco1 ZINC000012602564 560091157 /nfs/dbraw/zinc/09/11/57/560091157.db2.gz USGVVKAVNFJEGK-JRSUCEMESA-N 1 1 436.556 2.001 40 0 biogenic,in-vitro IEABMO Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000260892679 568628009 /nfs/dbraw/zinc/62/80/09/568628009.db2.gz CYOPJKWQHUAWLC-LJQANCHMSA-N 1 1 445.585 2.298 40 0 IEABMO Cc1nc(N)cc(C2(C)CCN(C(=O)[C@]3(Cc4ccc(F)cc4)C[N@H+](C)CCO3)CC2)n1 ZINC000257222028 568675166 /nfs/dbraw/zinc/67/51/66/568675166.db2.gz DRPGVSUPYKWNSX-DEOSSOPVSA-N 1 1 441.551 2.330 40 0 IEABMO Cc1nc(N)cc(C2(C)CCN(C(=O)[C@]3(Cc4ccc(F)cc4)C[N@@H+](C)CCO3)CC2)n1 ZINC000257222028 568675169 /nfs/dbraw/zinc/67/51/69/568675169.db2.gz DRPGVSUPYKWNSX-DEOSSOPVSA-N 1 1 441.551 2.330 40 0 IEABMO Cc1nc(N)cc(C2(C)CCN(C(=O)[C@@]3(Cc4ccc(F)cc4)C[N@H+](C)CCO3)CC2)n1 ZINC000257222029 568675195 /nfs/dbraw/zinc/67/51/95/568675195.db2.gz DRPGVSUPYKWNSX-XMMPIXPASA-N 1 1 441.551 2.330 40 0 IEABMO Cc1nc(N)cc(C2(C)CCN(C(=O)[C@@]3(Cc4ccc(F)cc4)C[N@@H+](C)CCO3)CC2)n1 ZINC000257222029 568675197 /nfs/dbraw/zinc/67/51/97/568675197.db2.gz DRPGVSUPYKWNSX-XMMPIXPASA-N 1 1 441.551 2.330 40 0 IEABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@H]21 ZINC000257225159 568676764 /nfs/dbraw/zinc/67/67/64/568676764.db2.gz FFCOFQUYZGLQJX-WOIUINJBSA-N 1 1 433.512 2.131 40 0 IEABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@H]21 ZINC000257225159 568676768 /nfs/dbraw/zinc/67/67/68/568676768.db2.gz FFCOFQUYZGLQJX-WOIUINJBSA-N 1 1 433.512 2.131 40 0 IEABMO CNC(=O)[C@H]1CN(C(=O)c2ccccc2Cn2cc[nH+]c2C)CCN1Cc1ccccc1 ZINC000257245951 568686768 /nfs/dbraw/zinc/68/67/68/568686768.db2.gz IRVCXNUGQCIWIX-HSZRJFAPSA-N 1 1 431.540 2.312 40 0 IEABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2ccc(F)cc2)N1 ZINC000257290776 568706931 /nfs/dbraw/zinc/70/69/31/568706931.db2.gz QEHINFHVOXHQCU-XUZZJYLKSA-N 1 1 439.535 2.481 40 0 IEABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2cccc(F)c2)N1 ZINC000257303137 568712820 /nfs/dbraw/zinc/71/28/20/568712820.db2.gz SFYDIQDSDYSUSH-XUZZJYLKSA-N 1 1 439.535 2.481 40 0 IEABMO Cc1cnc(C[N@H+]2CCC[C@@]3(C2)C/C=C/COc2ccccc2C(=O)NCCNC3=O)cn1 ZINC000257311240 568715931 /nfs/dbraw/zinc/71/59/31/568715931.db2.gz UIQBNZNIXBZDAD-YQRKEEQESA-N 1 1 449.555 2.252 40 0 IEABMO O=C(C[N@@H+]1CC[C@H]2[C@@H]1CCCC(=O)N2Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257325310 568722369 /nfs/dbraw/zinc/72/23/69/568722369.db2.gz WSJSOFSOLXPXCD-SFTDATJTSA-N 1 1 433.512 2.450 40 0 IEABMO O=C(C[N@H+]1CC[C@H]2[C@@H]1CCCC(=O)N2Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257325310 568722371 /nfs/dbraw/zinc/72/23/71/568722371.db2.gz WSJSOFSOLXPXCD-SFTDATJTSA-N 1 1 433.512 2.450 40 0 IEABMO COc1cccc(C[N@H+](C)CC(=O)N2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)c1 ZINC000257340069 568728622 /nfs/dbraw/zinc/72/86/22/568728622.db2.gz ZEHXJDJNDVWKDS-JOCHJYFZSA-N 1 1 448.527 2.161 40 0 IEABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)c1 ZINC000257340069 568728624 /nfs/dbraw/zinc/72/86/24/568728624.db2.gz ZEHXJDJNDVWKDS-JOCHJYFZSA-N 1 1 448.527 2.161 40 0 IEABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCC3CCOCC3)cn21 ZINC000306129042 568765372 /nfs/dbraw/zinc/76/53/72/568765372.db2.gz HSHDQEPGSKUZHL-NRFANRHFSA-N 1 1 440.592 2.363 40 0 IEABMO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)NC4CC4)CC[C@H]3[N@H+]2CC2CC2)cc1 ZINC000306128997 568765489 /nfs/dbraw/zinc/76/54/89/568765489.db2.gz HQWJXWTVGAQMKF-BWAGFHJFSA-N 1 1 426.561 2.358 40 0 IEABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3cccs3)CC2)C1 ZINC000306132124 568767039 /nfs/dbraw/zinc/76/70/39/568767039.db2.gz KZJVKKJMXIGRBH-QFIPXVFZSA-N 1 1 427.574 2.328 40 0 IEABMO COCCN1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306133620 568767970 /nfs/dbraw/zinc/76/79/70/568767970.db2.gz MRCNFMLZJGLNPE-QFIPXVFZSA-N 1 1 446.525 2.090 40 0 IEABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306133620 568767971 /nfs/dbraw/zinc/76/79/71/568767971.db2.gz MRCNFMLZJGLNPE-QFIPXVFZSA-N 1 1 446.525 2.090 40 0 IEABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CCCO3)cn21 ZINC000306134622 568768501 /nfs/dbraw/zinc/76/85/01/568768501.db2.gz NTSGFGPJYWKMJG-UXHICEINSA-N 1 1 426.565 2.115 40 0 IEABMO Cc1ncsc1C[N@H+]1CC[C@@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@@H]2C1 ZINC000306140441 568771632 /nfs/dbraw/zinc/77/16/32/568771632.db2.gz UTUGCDBRRGZVBK-RBUKOAKNSA-N 1 1 425.558 2.444 40 0 IEABMO Cc1ncsc1C[N@H+]1CC[C@@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@H]2C1 ZINC000306140440 568771818 /nfs/dbraw/zinc/77/18/18/568771818.db2.gz UTUGCDBRRGZVBK-OALUTQOASA-N 1 1 425.558 2.444 40 0 IEABMO O=C(C1CCC1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2cccnc2)CC4)CC1 ZINC000306141736 568772434 /nfs/dbraw/zinc/77/24/34/568772434.db2.gz WEYNCECRAUZPAD-UHFFFAOYSA-N 1 1 433.556 2.162 40 0 IEABMO O=C(C1CCC1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2cccnc2)CC4)CC1 ZINC000306141736 568772435 /nfs/dbraw/zinc/77/24/35/568772435.db2.gz WEYNCECRAUZPAD-UHFFFAOYSA-N 1 1 433.556 2.162 40 0 IEABMO CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328999233 568808904 /nfs/dbraw/zinc/80/89/04/568808904.db2.gz JVCCEDNWPRPABE-IBGZPJMESA-N 1 1 433.578 2.239 40 0 IEABMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000101509270 568844830 /nfs/dbraw/zinc/84/48/30/568844830.db2.gz NSJGEXWTVXFQHP-OTWHNJEPSA-N 1 1 437.606 2.380 40 0 IEABMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(N)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000139736379 569205938 /nfs/dbraw/zinc/20/59/38/569205938.db2.gz FBJIWQULMXAMBV-SJORKVTESA-N 1 1 428.441 2.464 40 0 IEABMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(N)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000139736379 569205940 /nfs/dbraw/zinc/20/59/40/569205940.db2.gz FBJIWQULMXAMBV-SJORKVTESA-N 1 1 428.441 2.464 40 0 IEABMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000017171325 569225852 /nfs/dbraw/zinc/22/58/52/569225852.db2.gz AOHZPYCYJMKBBI-UHFFFAOYSA-N 1 1 445.585 2.079 40 0 IEABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000019694740 569229243 /nfs/dbraw/zinc/22/92/43/569229243.db2.gz MQKKTYYZNJEHRD-IBGZPJMESA-N 1 1 436.560 2.110 40 0 IEABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000019694739 569229316 /nfs/dbraw/zinc/22/93/16/569229316.db2.gz MQKKTYYZNJEHRD-LJQANCHMSA-N 1 1 436.560 2.110 40 0 IEABMO COc1cccc(CNc2cc(CC3CCN(S(=O)(=O)N(C)C)CC3)[nH+]c(C)n2)c1 ZINC000019758668 569237512 /nfs/dbraw/zinc/23/75/12/569237512.db2.gz ROYDGFCALRRHJW-UHFFFAOYSA-N 1 1 433.578 2.467 40 0 IEABMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@@H](C(=O)OC)[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000012402747 522867166 /nfs/dbraw/zinc/86/71/66/522867166.db2.gz GBZNBHUOKKUAFS-NHCUHLMSSA-N 1 1 428.485 2.237 40 0 IEABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465808 522955427 /nfs/dbraw/zinc/95/54/27/522955427.db2.gz SVIIZVGSJPNSBN-IVAOSVALSA-N 1 1 433.936 2.125 40 0 biogenic,in-vitro IEABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)cc1 ZINC000022530581 524360978 /nfs/dbraw/zinc/36/09/78/524360978.db2.gz ACIWCYVMUYNPDG-UHFFFAOYSA-N 1 1 428.514 2.272 40 0 IEABMO Cc1ccc(CN(c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022231797 524422615 /nfs/dbraw/zinc/42/26/15/524422615.db2.gz UVIJZSFGOHGPJI-UHFFFAOYSA-N 1 1 431.558 2.114 40 0 IEABMO Cc1ccc(OCCC[N@@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C(=O)N3)cc1 ZINC000012124394 525411392 /nfs/dbraw/zinc/41/13/92/525411392.db2.gz UORPZFVNZGSGRK-PXDATVDWSA-N 1 1 437.540 2.345 40 0 IEABMO COc1ccc2c(c1)C(=O)N[C@]1(C[N@@H+](Cc3ccccc3OC)C[C@@H]1C(=O)N(C)C)CC2 ZINC000012124679 525508929 /nfs/dbraw/zinc/50/89/29/525508929.db2.gz VWNXDDHYGDHXMX-BWKNWUBXSA-N 1 1 437.540 2.339 40 0 IEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000020483848 527386655 /nfs/dbraw/zinc/38/66/55/527386655.db2.gz FKFUGXYMOUJKEW-HXUWFJFHSA-N 1 1 426.498 2.024 40 0 IEABMO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000408589426 555940466 /nfs/dbraw/zinc/94/04/66/555940466.db2.gz FPAZOFNQLBPWJI-GOSISDBHSA-N 1 1 431.558 2.015 40 0 IEABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408601581 555970155 /nfs/dbraw/zinc/97/01/55/555970155.db2.gz AOGKRJVZACSSRW-UHFFFAOYSA-N 1 1 449.548 2.168 40 0 IEABMO Cc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408613949 555984351 /nfs/dbraw/zinc/98/43/51/555984351.db2.gz ZCCWWPWZWYFJGP-UHFFFAOYSA-N 1 1 431.558 2.029 40 0 IEABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000408622252 555991114 /nfs/dbraw/zinc/99/11/14/555991114.db2.gz MZXDROQELBXTSY-IBGZPJMESA-N 1 1 445.585 2.405 40 0 IEABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408622803 555991653 /nfs/dbraw/zinc/99/16/53/555991653.db2.gz RIPNPUAJXZWDIJ-UHFFFAOYSA-N 1 1 445.585 2.337 40 0 IEABMO C[N@@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922814 556341508 /nfs/dbraw/zinc/34/15/08/556341508.db2.gz FXOZQFPDWBMSAO-DWLFOUALSA-N 1 1 444.576 2.357 40 0 biogenic,in-vitro IEABMO C[N@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922814 556341511 /nfs/dbraw/zinc/34/15/11/556341511.db2.gz FXOZQFPDWBMSAO-DWLFOUALSA-N 1 1 444.576 2.357 40 0 biogenic,in-vitro IEABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000257341780 556707205 /nfs/dbraw/zinc/70/72/05/556707205.db2.gz ZLXZFLXEOXXTCU-QHCPKHFHSA-N 1 1 445.523 2.484 40 0 IEABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000257341780 556707207 /nfs/dbraw/zinc/70/72/07/556707207.db2.gz ZLXZFLXEOXXTCU-QHCPKHFHSA-N 1 1 445.523 2.484 40 0 IEABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)C1 ZINC000257232257 556709329 /nfs/dbraw/zinc/70/93/29/556709329.db2.gz GJZUULNNCLKBDR-VWLOTQADSA-N 1 1 441.547 2.367 40 0 IEABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 ZINC000257234831 556709619 /nfs/dbraw/zinc/70/96/19/556709619.db2.gz GVGUOVDVZJVZMF-JOCHJYFZSA-N 1 1 442.556 2.413 40 0 IEABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000257281685 556714970 /nfs/dbraw/zinc/71/49/70/556714970.db2.gz OQMKAZZBTTVZEE-DEOSSOPVSA-N 1 1 447.583 2.333 40 0 IEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000257281685 556714973 /nfs/dbraw/zinc/71/49/73/556714973.db2.gz OQMKAZZBTTVZEE-DEOSSOPVSA-N 1 1 447.583 2.333 40 0 IEABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(OC)c(Cn2cccn2)c1 ZINC000257289606 556715944 /nfs/dbraw/zinc/71/59/44/556715944.db2.gz PZKGIYZDUPUEGM-JOCHJYFZSA-N 1 1 447.539 2.013 40 0 IEABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(OC)c(Cn2cccn2)c1 ZINC000257289606 556715945 /nfs/dbraw/zinc/71/59/45/556715945.db2.gz PZKGIYZDUPUEGM-JOCHJYFZSA-N 1 1 447.539 2.013 40 0 IEABMO Cc1ccn(CCC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)n1 ZINC000019238042 556722931 /nfs/dbraw/zinc/72/29/31/556722931.db2.gz KHFRDCFXHZGICY-GOSISDBHSA-N 1 1 438.576 2.372 40 0 IEABMO Cn1nccc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019289131 556729167 /nfs/dbraw/zinc/72/91/67/556729167.db2.gz KWBHSKBTHUUFKK-OAHLLOKOSA-N 1 1 438.557 2.143 40 0 IEABMO O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019333292 556737780 /nfs/dbraw/zinc/73/77/80/556737780.db2.gz NSZQWTOTGHZPIB-OAQYLSRUSA-N 1 1 440.519 2.352 40 0 IEABMO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1 ZINC000019339403 556739254 /nfs/dbraw/zinc/73/92/54/556739254.db2.gz YNTTUJVPVYUMPP-QGZVFWFLSA-N 1 1 435.553 2.343 40 0 IEABMO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1 ZINC000019339403 556739256 /nfs/dbraw/zinc/73/92/56/556739256.db2.gz YNTTUJVPVYUMPP-QGZVFWFLSA-N 1 1 435.553 2.343 40 0 IEABMO O=C(c1cnccn1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343648 556741542 /nfs/dbraw/zinc/74/15/42/556741542.db2.gz OSQVHMQBJKBZCV-HNNXBMFYSA-N 1 1 436.541 2.200 40 0 IEABMO O=C(Cc1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019348052 556743857 /nfs/dbraw/zinc/74/38/57/556743857.db2.gz NROGSLYGKHCTMX-IBGZPJMESA-N 1 1 447.514 2.421 40 0 IEABMO O=C(Cc1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019348052 556743861 /nfs/dbraw/zinc/74/38/61/556743861.db2.gz NROGSLYGKHCTMX-IBGZPJMESA-N 1 1 447.514 2.421 40 0 IEABMO CCN(CC)c1ncc2c(cc(C3CC[NH+](CC(=O)Nc4ccn(C)n4)CC3)[nH]c2=O)n1 ZINC000019526554 556784874 /nfs/dbraw/zinc/78/48/74/556784874.db2.gz HVDSEZBRJDVYOK-UHFFFAOYSA-N 1 1 438.536 2.128 40 0 IEABMO CCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 ZINC000019527876 556787682 /nfs/dbraw/zinc/78/76/82/556787682.db2.gz HDNJHKKQGGXZGG-GOTSBHOMSA-N 1 1 448.615 2.457 40 0 IEABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCN(C(=O)c5cnccn5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555567 556798609 /nfs/dbraw/zinc/79/86/09/556798609.db2.gz UIWVAHNIABLBHD-QGZVFWFLSA-N 1 1 446.511 2.169 40 0 IEABMO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc21 ZINC000019572492 556812787 /nfs/dbraw/zinc/81/27/87/556812787.db2.gz QSPACSNOQJJJKF-QFIPXVFZSA-N 1 1 433.549 2.394 40 0 IEABMO CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2CCCCC2)C3)CC1=O ZINC000019587275 556823759 /nfs/dbraw/zinc/82/37/59/556823759.db2.gz WOVMGSVSPMTJJD-PXNSSMCTSA-N 1 1 441.576 2.262 40 0 IEABMO COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C1)CO2 ZINC000019590213 556825255 /nfs/dbraw/zinc/82/52/55/556825255.db2.gz VLERZGFULWJPFQ-OAHLLOKOSA-N 1 1 436.512 2.361 40 0 IEABMO COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2OC)C3)C1 ZINC000019593091 556829459 /nfs/dbraw/zinc/82/94/59/556829459.db2.gz MVMQSDCWZUTOKY-KRWDZBQOSA-N 1 1 426.517 2.102 40 0 IEABMO COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2OC)C3)C1 ZINC000019593091 556829463 /nfs/dbraw/zinc/82/94/63/556829463.db2.gz MVMQSDCWZUTOKY-KRWDZBQOSA-N 1 1 426.517 2.102 40 0 IEABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701059 556860907 /nfs/dbraw/zinc/86/09/07/556860907.db2.gz DMDNNLHHQRCVAP-LJQANCHMSA-N 1 1 436.560 2.138 40 0 IEABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)[C@H](c2ccccc2)C1 ZINC000019751178 556895310 /nfs/dbraw/zinc/89/53/10/556895310.db2.gz HJMOWQWUMACWGI-QFIPXVFZSA-N 1 1 436.556 2.426 40 0 IEABMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)[C@H](c2ccccc2)C1 ZINC000019751178 556895313 /nfs/dbraw/zinc/89/53/13/556895313.db2.gz HJMOWQWUMACWGI-QFIPXVFZSA-N 1 1 436.556 2.426 40 0 IEABMO CCOc1ccc(S(=O)(=O)CCC(=O)N2CCC(Cc3cc(N)nc(C)[nH+]3)CC2)cc1 ZINC000019758773 556902454 /nfs/dbraw/zinc/90/24/54/556902454.db2.gz ICHPMELQONLVKI-UHFFFAOYSA-N 1 1 446.573 2.411 40 0 IEABMO C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCC[NH+]1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000072339037 556911335 /nfs/dbraw/zinc/91/13/35/556911335.db2.gz QRNRQACHRGPSAP-GOMRNUEMSA-N 1 1 427.545 2.170 40 0 IEABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000019868691 556935427 /nfs/dbraw/zinc/93/54/27/556935427.db2.gz LSDVHFBWRLQRME-UHFFFAOYSA-N 1 1 431.961 2.185 40 0 IEABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O ZINC000072392982 556964196 /nfs/dbraw/zinc/96/41/96/556964196.db2.gz LMSRNCGXBVDDCT-SFHVURJKSA-N 1 1 449.511 2.084 40 0 IEABMO COCc1ccc(OC)c(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c1 ZINC000072395416 556967217 /nfs/dbraw/zinc/96/72/17/556967217.db2.gz NOBOGHSPGXJJRW-ICPLQIHGSA-N 1 1 429.517 2.378 40 0 IEABMO COCC[NH+]1CCN(c2ncc(-c3ccsc3)c(-c3cnc(OC)nc3OC)n2)CC1 ZINC000072396887 556969647 /nfs/dbraw/zinc/96/96/47/556969647.db2.gz JCBWBFDPFUHDLC-UHFFFAOYSA-N 1 1 442.545 2.448 40 0 IEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000585106079 557039460 /nfs/dbraw/zinc/03/94/60/557039460.db2.gz JINFJYXAKGFHCI-HBGVWJBISA-N 1 1 429.561 2.403 40 0 IEABMO Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CC[N@H+]4Cc3ccnc(N4CCOCC4)c3)cn2c1 ZINC000585109014 557044421 /nfs/dbraw/zinc/04/44/21/557044421.db2.gz NXCDCPAVZGWGMF-VXKWHMMOSA-N 1 1 446.555 2.250 40 0 IEABMO CCN(c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000023227875 557074898 /nfs/dbraw/zinc/07/48/98/557074898.db2.gz VYOXCJGILGAPOX-UHFFFAOYSA-N 1 1 431.558 2.196 40 0 IEABMO CC(C)n1cnc2c1[C@H](C(=O)NCCC[NH+]1CCOCC1)N(Cc1ccccc1)CC2 ZINC000096037536 557164856 /nfs/dbraw/zinc/16/48/56/557164856.db2.gz CKUSDDMUAVDEBP-HSZRJFAPSA-N 1 1 425.577 2.402 40 0 IEABMO O=C(NCCc1cccnc1)c1ccc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2c1 ZINC000096156186 557180855 /nfs/dbraw/zinc/18/08/55/557180855.db2.gz SSGNPLWEFMRIDL-FQEVSTJZSA-N 1 1 427.512 2.481 40 0 IEABMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=[NH+][C@H]2c1ccc(Cl)cc1 ZINC000009289385 557183633 /nfs/dbraw/zinc/18/36/33/557183633.db2.gz SHUCYYZVUPAEBJ-GOSISDBHSA-N 1 1 436.907 2.146 40 0 IEABMO Cc1ccc(N2CCN(Cc3ccccc3)C3(CC[NH+](CC(=O)N(C)C)CC3)C2=O)cn1 ZINC000096230405 557185018 /nfs/dbraw/zinc/18/50/18/557185018.db2.gz LUEPYKQOJKTNAW-UHFFFAOYSA-N 1 1 435.572 2.162 40 0 IEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccc(OC)cc2)CC3)C1=O ZINC000096262802 557190313 /nfs/dbraw/zinc/19/03/13/557190313.db2.gz NZLMBFSPXZTDEW-DEOSSOPVSA-N 1 1 429.561 2.118 40 0 IEABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000585272097 557216691 /nfs/dbraw/zinc/21/66/91/557216691.db2.gz IYDUAOBLZFXYCX-NRFANRHFSA-N 1 1 430.545 2.278 40 0 IEABMO CCOCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585272036 557216834 /nfs/dbraw/zinc/21/68/34/557216834.db2.gz IPSYWCPJRJOSPA-DQEYMECFSA-N 1 1 425.573 2.469 40 0 IEABMO CCOCCOc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585272036 557216836 /nfs/dbraw/zinc/21/68/36/557216836.db2.gz IPSYWCPJRJOSPA-DQEYMECFSA-N 1 1 425.573 2.469 40 0 IEABMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272686 557217209 /nfs/dbraw/zinc/21/72/09/557217209.db2.gz LWXALSSGOLFYRW-NRFANRHFSA-N 1 1 430.545 2.278 40 0 IEABMO CC(=O)NCCCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585280060 557220169 /nfs/dbraw/zinc/22/01/69/557220169.db2.gz JGLJUCXRQNYKTD-DEOSSOPVSA-N 1 1 446.519 2.373 40 0 IEABMO CC(=O)NCCCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585280060 557220170 /nfs/dbraw/zinc/22/01/70/557220170.db2.gz JGLJUCXRQNYKTD-DEOSSOPVSA-N 1 1 446.519 2.373 40 0 IEABMO CC(=O)NCCCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585282201 557221753 /nfs/dbraw/zinc/22/17/53/557221753.db2.gz ZJTXASZACGHIDP-ZEQRLZLVSA-N 1 1 446.519 2.107 40 0 IEABMO CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000025767239 557225135 /nfs/dbraw/zinc/22/51/35/557225135.db2.gz QSOOIFOLZKTFJG-UHFFFAOYSA-N 1 1 445.585 2.359 40 0 IEABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCN(C)CC3)ccc2C)cc1 ZINC000022822136 557271225 /nfs/dbraw/zinc/27/12/25/557271225.db2.gz YBFHWGYVSFEHJY-UHFFFAOYSA-N 1 1 444.601 2.472 40 0 IEABMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000102242849 557300603 /nfs/dbraw/zinc/30/06/03/557300603.db2.gz RLHZBPXHORHYBT-NRFANRHFSA-N 1 1 448.523 2.146 40 0 IEABMO COCCn1nnnc1[C@H](C(C)C)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498945 557328048 /nfs/dbraw/zinc/32/80/48/557328048.db2.gz HVQSEXNBWPFHJP-NRFANRHFSA-N 1 1 442.564 2.360 40 0 IEABMO COCCn1nnnc1[C@H](C(C)C)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498945 557328052 /nfs/dbraw/zinc/32/80/52/557328052.db2.gz HVQSEXNBWPFHJP-NRFANRHFSA-N 1 1 442.564 2.360 40 0 IEABMO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000223222956 557447683 /nfs/dbraw/zinc/44/76/83/557447683.db2.gz OVQGIAGMOYQGLH-YLJYHZDGSA-N 1 1 425.595 2.478 40 0 IEABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019589830 557501272 /nfs/dbraw/zinc/50/12/72/557501272.db2.gz ALZKOURJENTIBB-NRFANRHFSA-N 1 1 437.548 2.365 40 0 IEABMO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000224428368 557605431 /nfs/dbraw/zinc/60/54/31/557605431.db2.gz WTAGLDYGQQUKOM-UHFFFAOYSA-N 1 1 445.585 2.268 40 0 IEABMO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000224547933 557620640 /nfs/dbraw/zinc/62/06/40/557620640.db2.gz 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CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225212138 557700845 /nfs/dbraw/zinc/70/08/45/557700845.db2.gz BYPMINHKVLJGJV-INIZCTEOSA-N 1 1 437.562 2.282 40 0 IEABMO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000225869892 557787292 /nfs/dbraw/zinc/78/72/92/557787292.db2.gz DVHZHHIEAWCDLF-SILNSSARSA-N 1 1 429.542 2.366 40 0 IEABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585287647 568619064 /nfs/dbraw/zinc/61/90/64/568619064.db2.gz PYHIPLQWOLGSKX-XMMPIXPASA-N 1 1 448.510 2.438 40 0 IEABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585287773 568619531 /nfs/dbraw/zinc/61/95/31/568619531.db2.gz RAIVCLYPSMPJEP-RUZDIDTESA-N 1 1 426.557 2.469 40 0 IEABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000019727682 568622435 /nfs/dbraw/zinc/62/24/35/568622435.db2.gz YNQLIWDBDGYHQW-OAHLLOKOSA-N 1 1 444.395 2.014 40 0 IEABMO Cc1cccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000260890997 568627638 /nfs/dbraw/zinc/62/76/38/568627638.db2.gz WGBUGNDCSCYARI-LJQANCHMSA-N 1 1 445.585 2.298 40 0 IEABMO Cc1ocnc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257200651 568665505 /nfs/dbraw/zinc/66/55/05/568665505.db2.gz AEGIOSGAXAWJQG-ICSRJNTNSA-N 1 1 426.517 2.057 40 0 IEABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCCN(CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)[C@@H]32)cc1 ZINC000257223837 568675979 /nfs/dbraw/zinc/67/59/79/568675979.db2.gz DZCRQMGJWHUXAS-JMUQELJHSA-N 1 1 435.528 2.366 40 0 IEABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 ZINC000257238005 568682677 /nfs/dbraw/zinc/68/26/77/568682677.db2.gz HJEFNSKBIPBLPR-NRFANRHFSA-N 1 1 430.512 2.293 40 0 IEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 ZINC000257238005 568682682 /nfs/dbraw/zinc/68/26/82/568682682.db2.gz HJEFNSKBIPBLPR-NRFANRHFSA-N 1 1 430.512 2.293 40 0 IEABMO CN(C(=O)c1cc(COc2ccc(F)cc2)on1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257267460 568696474 /nfs/dbraw/zinc/69/64/74/568696474.db2.gz MHKRNFPUARVIMJ-NJDAHSKKSA-N 1 1 433.480 2.079 40 0 IEABMO Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257303242 568712802 /nfs/dbraw/zinc/71/28/02/568712802.db2.gz SGJFAYMJWNCOSK-GMAHTHKFSA-N 1 1 436.556 2.464 40 0 IEABMO C[N@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257319928 568719886 /nfs/dbraw/zinc/71/98/86/568719886.db2.gz VUQIOLXKDGNLEP-OAQYLSRUSA-N 1 1 432.572 2.468 40 0 IEABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](Cc3cc(C)cc(C)c3)C2)cs1 ZINC000306123150 568762494 /nfs/dbraw/zinc/76/24/94/568762494.db2.gz AFRSHESPNLVJRM-HSZRJFAPSA-N 1 1 437.569 2.382 40 0 IEABMO COCCN1C[C@@]2(CC[N@H+](Cc3ccc(OC)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306129201 568765607 /nfs/dbraw/zinc/76/56/07/568765607.db2.gz HXIJVHWFTOILPR-QFIPXVFZSA-N 1 1 432.542 2.369 40 0 IEABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306129201 568765608 /nfs/dbraw/zinc/76/56/08/568765608.db2.gz HXIJVHWFTOILPR-QFIPXVFZSA-N 1 1 432.542 2.369 40 0 IEABMO COCCN1C[C@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306133619 568767900 /nfs/dbraw/zinc/76/79/00/568767900.db2.gz MRCNFMLZJGLNPE-JOCHJYFZSA-N 1 1 446.525 2.090 40 0 IEABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306133619 568767903 /nfs/dbraw/zinc/76/79/03/568767903.db2.gz MRCNFMLZJGLNPE-JOCHJYFZSA-N 1 1 446.525 2.090 40 0 IEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306135406 568768893 /nfs/dbraw/zinc/76/88/93/568768893.db2.gz OPZZYQAJTFWXKK-IAGOWNOFSA-N 1 1 434.500 2.247 40 0 IEABMO COc1ncccc1C[N@H+]1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306139314 568771326 /nfs/dbraw/zinc/77/13/26/568771326.db2.gz SUKKVFXLXVYMIQ-RCZVLFRGSA-N 1 1 445.523 2.277 40 0 IEABMO CCn1cc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306140381 568771643 /nfs/dbraw/zinc/77/16/43/568771643.db2.gz URQGBORHBNWFET-ISKFKSNPSA-N 1 1 432.528 2.090 40 0 IEABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019826074 568876253 /nfs/dbraw/zinc/87/62/53/568876253.db2.gz BWJVXTDLPHQXNC-QFIPXVFZSA-N 1 1 429.528 2.208 40 0 IEABMO O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349270 569226385 /nfs/dbraw/zinc/22/63/85/569226385.db2.gz KHXUNOCEVSQHEM-VQTJNVASSA-N 1 1 426.492 2.310 40 0 IEABMO O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349270 569226386 /nfs/dbraw/zinc/22/63/86/569226386.db2.gz KHXUNOCEVSQHEM-VQTJNVASSA-N 1 1 426.492 2.310 40 0 IEABMO O=C(N[C@H]1CSC[C@H]1O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372532 569226613 /nfs/dbraw/zinc/22/66/13/569226613.db2.gz QNFKTFHWBYMCQV-MXEMCNAFSA-N 1 1 428.529 2.349 40 0 IEABMO COc1ccc(-c2nc([C@H]3CCCN(C(=O)CCn4cc[nH+]c4C)C3)[nH]c2C(N)=O)cc1 ZINC000019698904 569230299 /nfs/dbraw/zinc/23/02/99/569230299.db2.gz OQYOIABLODIQLA-KRWDZBQOSA-N 1 1 436.516 2.485 40 0 IEABMO C[N@@H+]1CCN(C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)[C@H](c2ccccc2)C1 ZINC000019751670 569328345 /nfs/dbraw/zinc/32/83/45/569328345.db2.gz VVAASIUSRKUPSV-QHCPKHFHSA-N 1 1 444.535 2.294 40 0 IEABMO C[N@H+]1CCN(C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)[C@H](c2ccccc2)C1 ZINC000019751670 569328347 /nfs/dbraw/zinc/32/83/47/569328347.db2.gz VVAASIUSRKUPSV-QHCPKHFHSA-N 1 1 444.535 2.294 40 0 IEABMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CC[C@@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@H]3C[C@H]12 ZINC000008951867 569489958 /nfs/dbraw/zinc/48/99/58/569489958.db2.gz TTZWEOINXHJHCY-MDJXFETDSA-N 1 1 428.485 2.080 40 0 biogenic IEABMO C[N@@H+](CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 ZINC000067870727 291332780 /nfs/dbraw/zinc/33/27/80/291332780.db2.gz ZYQITKGERHHTCD-JAXLGGSGSA-N 1 1 428.602 2.245 40 0 biogenic,in-vitro IEABMO CCN1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000012186904 521670704 /nfs/dbraw/zinc/67/07/04/521670704.db2.gz HSZNHLANGVBZSP-UHFFFAOYSA-N 1 1 445.567 2.233 40 0 IEABMO CN1[C@@H]2CC[N@H+](C3CCCCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442411 524031052 /nfs/dbraw/zinc/03/10/52/524031052.db2.gz FOFDQSSOGORFOJ-XJUOHMSHSA-N 1 1 430.568 2.428 40 0 biogenic,in-vitro IEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000020483846 527386163 /nfs/dbraw/zinc/38/61/63/527386163.db2.gz FKFUGXYMOUJKEW-FQEVSTJZSA-N 1 1 426.498 2.024 40 0 IEABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)cc1OC ZINC000100207776 555702919 /nfs/dbraw/zinc/70/29/19/555702919.db2.gz DMYOOPSREMVGOU-AYFLJRIOSA-N 1 1 433.464 2.135 40 0 IEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)CC1 ZINC000408560596 555901763 /nfs/dbraw/zinc/90/17/63/555901763.db2.gz ZVWUDPHUMIZJEX-UHFFFAOYSA-N 1 1 429.970 2.058 40 0 IEABMO Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)cc2)c1 ZINC000408589302 555940101 /nfs/dbraw/zinc/94/01/01/555940101.db2.gz DYCXCTRCTAHLBA-UHFFFAOYSA-N 1 1 447.557 2.013 40 0 IEABMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408598078 555956199 /nfs/dbraw/zinc/95/61/99/555956199.db2.gz ZLYMFCHCRGNGIK-NRFANRHFSA-N 1 1 445.585 2.079 40 0 IEABMO CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408623527 555992351 /nfs/dbraw/zinc/99/23/51/555992351.db2.gz RQCAFEBWPLIQMV-UHFFFAOYSA-N 1 1 431.558 2.105 40 0 IEABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408630054 556000773 /nfs/dbraw/zinc/00/07/73/556000773.db2.gz MSWUUWJXWBBGRL-UHFFFAOYSA-N 1 1 431.558 2.029 40 0 IEABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)c(C)c2)cc1 ZINC000408675443 556067879 /nfs/dbraw/zinc/06/78/79/556067879.db2.gz ZFPRQJGTJJORFC-UHFFFAOYSA-N 1 1 447.557 2.347 40 0 IEABMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000008971803 556237709 /nfs/dbraw/zinc/23/77/09/556237709.db2.gz CBPOOYULSIEABU-FEELKSARSA-N 1 1 441.459 2.147 40 0 IEABMO C[N@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923080 556341376 /nfs/dbraw/zinc/34/13/76/556341376.db2.gz WBCQSNSWTQZSHE-DWLFOUALSA-N 1 1 426.586 2.218 40 0 biogenic,in-vitro IEABMO CN1[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923080 556341381 /nfs/dbraw/zinc/34/13/81/556341381.db2.gz WBCQSNSWTQZSHE-DWLFOUALSA-N 1 1 426.586 2.218 40 0 biogenic,in-vitro IEABMO CN1[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923080 556341384 /nfs/dbraw/zinc/34/13/84/556341384.db2.gz WBCQSNSWTQZSHE-DWLFOUALSA-N 1 1 426.586 2.218 40 0 biogenic,in-vitro IEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000030866476 556512548 /nfs/dbraw/zinc/51/25/48/556512548.db2.gz AYTQGBZMSRSAJI-FQEVSTJZSA-N 1 1 426.498 2.024 40 0 IEABMO CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000036312410 556596490 /nfs/dbraw/zinc/59/64/90/556596490.db2.gz RNXBAYSQRRPAKN-KRWDZBQOSA-N 1 1 443.635 2.402 40 0 IEABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3cccc(Cl)c3)C2)C1 ZINC000514290133 556626097 /nfs/dbraw/zinc/62/60/97/556626097.db2.gz UEJWJHYJHGKRBM-FCHUYYIVSA-N 1 1 425.960 2.415 40 0 biogenic,in-vitro IEABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3cccc(Cl)c3)C2)C1 ZINC000514290133 556626099 /nfs/dbraw/zinc/62/60/99/556626099.db2.gz UEJWJHYJHGKRBM-FCHUYYIVSA-N 1 1 425.960 2.415 40 0 biogenic,in-vitro IEABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000257281686 556714871 /nfs/dbraw/zinc/71/48/71/556714871.db2.gz OQMKAZZBTTVZEE-XMMPIXPASA-N 1 1 447.583 2.333 40 0 IEABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000257281686 556714874 /nfs/dbraw/zinc/71/48/74/556714874.db2.gz OQMKAZZBTTVZEE-XMMPIXPASA-N 1 1 447.583 2.333 40 0 IEABMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257304004 556717877 /nfs/dbraw/zinc/71/78/77/556717877.db2.gz SJRLFUOQQHALIH-JOCHJYFZSA-N 1 1 437.540 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CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000409198196 556995289 /nfs/dbraw/zinc/99/52/89/556995289.db2.gz ZLXNUURWLSAXFT-LJQANCHMSA-N 1 1 445.585 2.487 40 0 IEABMO CC(=O)Nc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)N4CCCCCC4)CC3)C2=O)c1 ZINC000020310185 557007099 /nfs/dbraw/zinc/00/70/99/557007099.db2.gz IESWGJOZKJKTHT-NRFANRHFSA-N 1 1 440.544 2.392 40 0 IEABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000585106176 557039495 /nfs/dbraw/zinc/03/94/95/557039495.db2.gz AQAYOMFBRLONJG-AHRSYUTCSA-N 1 1 435.590 2.085 40 0 IEABMO CN1CC[NH+](CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000022933941 557051602 /nfs/dbraw/zinc/05/16/02/557051602.db2.gz UUEZSABQAWYFNS-QHCPKHFHSA-N 1 1 442.585 2.421 40 0 IEABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1CCOCC1)CCC2 ZINC000096056096 557166899 /nfs/dbraw/zinc/16/68/99/557166899.db2.gz ANIXOSLICPUJMD-YKSBVNFPSA-N 1 1 429.561 2.420 40 0 IEABMO CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096156637 557181580 /nfs/dbraw/zinc/18/15/80/557181580.db2.gz ZXMRTYKVLOQWCO-JOCHJYFZSA-N 1 1 449.603 2.290 40 0 IEABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)N4CCOCC4)CC3)c3ccccc32)CC1 ZINC000096242271 557186295 /nfs/dbraw/zinc/18/62/95/557186295.db2.gz WEOSTBCYXDCUHR-HXUWFJFHSA-N 1 1 440.588 2.124 40 0 IEABMO Cc1ccoc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251458 557188555 /nfs/dbraw/zinc/18/85/55/557188555.db2.gz CTMCHYZGGDBPCM-YKSBVNFPSA-N 1 1 439.560 2.202 40 0 IEABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000585262439 557201811 /nfs/dbraw/zinc/20/18/11/557201811.db2.gz KGOMDKCJKLTKEC-HTDNTCHWSA-N 1 1 438.503 2.220 40 0 IEABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1 ZINC000585269632 557212223 /nfs/dbraw/zinc/21/22/23/557212223.db2.gz DPGDEQJMBMSFFG-XMMPIXPASA-N 1 1 430.545 2.144 40 0 IEABMO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585274214 557218499 /nfs/dbraw/zinc/21/84/99/557218499.db2.gz UQWLBXQOIKGVQV-XMMPIXPASA-N 1 1 444.551 2.005 40 0 IEABMO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585274211 557218558 /nfs/dbraw/zinc/21/85/58/557218558.db2.gz UQWLBXQOIKGVQV-DEOSSOPVSA-N 1 1 444.551 2.005 40 0 IEABMO O[C@H]1CC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585281858 557220071 /nfs/dbraw/zinc/22/00/71/557220071.db2.gz CVSFTGMGHJVVLK-UPVQGACJSA-N 1 1 448.510 2.173 40 0 IEABMO Cc1cc(OC[C@@]2(O)CN(Cc3cccc(OCC[NH+](C)C)c3)CC[C@@H]2O)ccc1F ZINC000585281828 557220154 /nfs/dbraw/zinc/22/01/54/557220154.db2.gz BQUITADESDDQEF-ZEQRLZLVSA-N 1 1 432.536 2.451 40 0 IEABMO Cc1ccc(N2CCC(O)(C[N@H+]3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 ZINC000585284146 557221298 /nfs/dbraw/zinc/22/12/98/557221298.db2.gz VHWHNPPWRLXARL-ZCYQVOJMSA-N 1 1 444.547 2.342 40 0 IEABMO 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