smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000409658595 332044299 /nfs/dbraw/zinc/04/42/99/332044299.db2.gz UNXWQZAWFMYKLA-LJQANCHMSA-N 1 3 322.496 4.832 20 0 DJADHO CC(C)c1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000409673762 332046517 /nfs/dbraw/zinc/04/65/17/332046517.db2.gz VBAXLXHUCZHZQO-QGZVFWFLSA-N 1 3 310.485 4.722 20 0 DJADHO C/C(=C/c1ccccc1)CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000520949014 332119114 /nfs/dbraw/zinc/11/91/14/332119114.db2.gz OJTGGBRPAVDDRE-RGEXLXHISA-N 1 3 322.496 4.720 20 0 DJADHO C/C(=C/c1ccccc1)CNCc1ccccc1C[N@H+](C)C(C)C ZINC000520949014 332119116 /nfs/dbraw/zinc/11/91/16/332119116.db2.gz OJTGGBRPAVDDRE-RGEXLXHISA-N 1 3 322.496 4.720 20 0 DJADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000566245012 332276703 /nfs/dbraw/zinc/27/67/03/332276703.db2.gz HRHLLITZLVNCPL-KRWDZBQOSA-N 1 3 323.267 4.693 20 0 DJADHO Cc1cccc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000559871412 332287725 /nfs/dbraw/zinc/28/77/25/332287725.db2.gz SEHANKFKXNFOTL-UHFFFAOYSA-N 1 3 322.496 4.517 20 0 DJADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000560523864 332350880 /nfs/dbraw/zinc/35/08/80/332350880.db2.gz FYUPZYYMYIZWAX-HIFPTAJRSA-N 1 3 315.288 4.517 20 0 DJADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1Cl ZINC000560528339 332351611 /nfs/dbraw/zinc/35/16/11/332351611.db2.gz PXBFHAIPLDHMSJ-XGNXJENSSA-N 1 3 315.288 4.517 20 0 DJADHO Cc1ccc(CNCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000497201593 333221245 /nfs/dbraw/zinc/22/12/45/333221245.db2.gz VVEUNXFWEUAAPP-UHFFFAOYSA-N 1 3 322.496 4.661 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1 ZINC000391965559 335140832 /nfs/dbraw/zinc/14/08/32/335140832.db2.gz FQSYLRBLLSBHAY-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CCC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccsc1 ZINC000187747108 334270956 /nfs/dbraw/zinc/27/09/56/334270956.db2.gz NUZYYFSGRCCXAP-SFHVURJKSA-N 1 3 306.519 4.586 20 0 DJADHO CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000534495573 334277547 /nfs/dbraw/zinc/27/75/47/334277547.db2.gz DOKAUZGAIKCUGF-DLBZAZTESA-N 1 3 320.546 4.570 20 0 DJADHO CC(C)=CCC[C@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000531950176 334304141 /nfs/dbraw/zinc/30/41/41/334304141.db2.gz DZSAKASTBSEVIO-KRWDZBQOSA-N 1 3 320.546 4.685 20 0 DJADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980945 334352890 /nfs/dbraw/zinc/35/28/90/334352890.db2.gz QGTODUQSSSVRRC-VKJFTORMSA-N 1 3 314.498 4.548 20 0 DJADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980945 334352892 /nfs/dbraw/zinc/35/28/92/334352892.db2.gz QGTODUQSSSVRRC-VKJFTORMSA-N 1 3 314.498 4.548 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000532188465 335912826 /nfs/dbraw/zinc/91/28/26/335912826.db2.gz FNEXNHGONJDZJH-LJQANCHMSA-N 1 3 316.876 4.643 20 0 DJADHO Cc1ccc(C)c([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000532454357 336248185 /nfs/dbraw/zinc/24/81/85/336248185.db2.gz SKVLSWVNACMPQZ-IBGZPJMESA-N 1 3 322.496 4.750 20 0 DJADHO CCCc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000532454340 336248213 /nfs/dbraw/zinc/24/82/13/336248213.db2.gz MSQHGLJYCQABLN-KRWDZBQOSA-N 1 3 310.485 4.552 20 0 DJADHO CC(C)C[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1cccs1 ZINC000423296561 337710979 /nfs/dbraw/zinc/71/09/79/337710979.db2.gz ZKPOFZDRNJROTK-PBHICJAKSA-N 1 3 302.487 4.645 20 0 DJADHO CCC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccsc1 ZINC000423502352 337723438 /nfs/dbraw/zinc/72/34/38/337723438.db2.gz DVWIAAJFJJUVKV-ROUUACIJSA-N 1 3 302.487 4.659 20 0 DJADHO CSc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423519049 337724334 /nfs/dbraw/zinc/72/43/34/337724334.db2.gz ZSWAXRZANCYEHT-KXBFYZLASA-N 1 3 314.498 4.539 20 0 DJADHO CC[NH+](CC)CCC[C@@H](C)NCc1csc(Cl)c1Cl ZINC000432234125 338149450 /nfs/dbraw/zinc/14/94/50/338149450.db2.gz ULMKWFFIGFPJEG-LLVKDONJSA-N 1 3 323.333 4.655 20 0 DJADHO C[C@H]1CC[C@H](NCc2ccc(C[NH+](C)C)cc2)c2sccc21 ZINC000453080442 338791344 /nfs/dbraw/zinc/79/13/44/338791344.db2.gz JQRMDCPAUIBWJE-KSSFIOAISA-N 1 3 314.498 4.538 20 0 DJADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1csc(Cl)c1 ZINC000468818392 339271587 /nfs/dbraw/zinc/27/15/87/339271587.db2.gz CZZXAIPGUAEOKH-ZIAGYGMSSA-N 1 3 314.926 4.707 20 0 DJADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1csc(Cl)c1 ZINC000468818392 339271588 /nfs/dbraw/zinc/27/15/88/339271588.db2.gz CZZXAIPGUAEOKH-ZIAGYGMSSA-N 1 3 314.926 4.707 20 0 DJADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1csc(Cl)c1 ZINC000469061574 339278971 /nfs/dbraw/zinc/27/89/71/339278971.db2.gz SHZDTTBPYLGXGZ-KBPBESRZSA-N 1 3 314.926 4.564 20 0 DJADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1csc(Cl)c1 ZINC000469061574 339278972 /nfs/dbraw/zinc/27/89/72/339278972.db2.gz SHZDTTBPYLGXGZ-KBPBESRZSA-N 1 3 314.926 4.564 20 0 DJADHO CC(C)[NH+]1CCC(N[C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000469204345 339283061 /nfs/dbraw/zinc/28/30/61/339283061.db2.gz ONQXYXUZPOREIC-IBGZPJMESA-N 1 3 320.908 4.644 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(C)s2)c1 ZINC000481291358 339599896 /nfs/dbraw/zinc/59/98/96/339599896.db2.gz BJKIKOQEBYUNRV-MRXNPFEDSA-N 1 3 316.514 4.749 20 0 DJADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000504900273 340155220 /nfs/dbraw/zinc/15/52/20/340155220.db2.gz UYYFFDYIXJAJTR-OXQOHEQNSA-N 1 3 312.501 4.540 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512320450 340356881 /nfs/dbraw/zinc/35/68/81/340356881.db2.gz BIKPSFRUNJAQJP-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320450 340356882 /nfs/dbraw/zinc/35/68/82/340356882.db2.gz BIKPSFRUNJAQJP-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000512320450 340356883 /nfs/dbraw/zinc/35/68/83/340356883.db2.gz BIKPSFRUNJAQJP-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2ccccc2c1 ZINC000177199366 340437222 /nfs/dbraw/zinc/43/72/22/340437222.db2.gz RAPYLCGGVZWXOF-KRWDZBQOSA-N 1 3 318.464 4.752 20 0 DJADHO CC[NH+](CC)Cc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000193011150 340571498 /nfs/dbraw/zinc/57/14/98/340571498.db2.gz SRAIEJXFWROEMV-UHFFFAOYSA-N 1 3 322.905 4.533 20 0 DJADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000564258579 341019123 /nfs/dbraw/zinc/01/91/23/341019123.db2.gz WBOJJLIQXJCODM-IBGZPJMESA-N 1 3 322.496 4.769 20 0 DJADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(-c3ccccc3)s2)CC1 ZINC000543602257 341050728 /nfs/dbraw/zinc/05/07/28/341050728.db2.gz NBHAUAFMTMLVLH-HNNXBMFYSA-N 1 3 314.498 4.550 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000072895517 341110182 /nfs/dbraw/zinc/11/01/82/341110182.db2.gz HERVJSFBWPBKSX-INIZCTEOSA-N 1 3 314.448 4.518 20 0 DJADHO CC(C)N1CCC[C@H](C[NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000518274452 332004406 /nfs/dbraw/zinc/00/44/06/332004406.db2.gz GRBNDTYAWRHLDQ-HXUWFJFHSA-N 1 3 322.496 4.564 20 0 DJADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(Cl)cc1Cl ZINC000021051872 333413599 /nfs/dbraw/zinc/41/35/99/333413599.db2.gz ZUOZXWOPKNIXJN-ZDUSSCGKSA-N 1 3 317.304 4.594 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000531959222 334314829 /nfs/dbraw/zinc/31/48/29/334314829.db2.gz RTHLFPMTLNDEAI-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000531959222 334314830 /nfs/dbraw/zinc/31/48/30/334314830.db2.gz RTHLFPMTLNDEAI-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO Cc1cccc([C@@H](C)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000531967519 334326118 /nfs/dbraw/zinc/32/61/18/334326118.db2.gz UDNULYBRZXOZRA-MOPGFXCFSA-N 1 3 322.496 4.871 20 0 DJADHO CC(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000324910316 336272968 /nfs/dbraw/zinc/27/29/68/336272968.db2.gz XDKNAGCSMWNEPH-QGZVFWFLSA-N 1 3 323.484 4.525 20 0 DJADHO CC(C)(C)C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC000572159453 337594228 /nfs/dbraw/zinc/59/42/28/337594228.db2.gz MKFZKJGFVPYNHD-IBGZPJMESA-N 1 3 314.448 4.552 20 0 DJADHO C[C@@H](CCCC[NH3+])N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000422928179 337691954 /nfs/dbraw/zinc/69/19/54/337691954.db2.gz JJMIVJUGMRCKNJ-HRAATJIYSA-N 1 3 322.452 4.629 20 0 DJADHO Cc1ccc2cc([C@H](C)NCc3ccc([C@H](C)[NH3+])cc3)oc2c1 ZINC000423292023 337710125 /nfs/dbraw/zinc/71/01/25/337710125.db2.gz KZSDNJPSRFLXTH-GJZGRUSLSA-N 1 3 308.425 4.612 20 0 DJADHO Cc1c2ccccc2oc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423507678 337723755 /nfs/dbraw/zinc/72/37/55/337723755.db2.gz QBNZACIVYQFCAS-APWZRJJASA-N 1 3 322.452 4.872 20 0 DJADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000462679211 339083920 /nfs/dbraw/zinc/08/39/20/339083920.db2.gz HKGDBDFSHLQNCD-LAUBAEHRSA-N 1 3 322.496 4.693 20 0 DJADHO CC[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000462764835 339087413 /nfs/dbraw/zinc/08/74/13/339087413.db2.gz HDBWPXXQYVETML-SJLPKXTDSA-N 1 3 320.546 4.519 20 0 DJADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1csc(Cl)c1 ZINC000468818375 339271647 /nfs/dbraw/zinc/27/16/47/339271647.db2.gz CZZXAIPGUAEOKH-UONOGXRCSA-N 1 3 314.926 4.707 20 0 DJADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1csc(Cl)c1 ZINC000468818375 339271648 /nfs/dbraw/zinc/27/16/48/339271648.db2.gz CZZXAIPGUAEOKH-UONOGXRCSA-N 1 3 314.926 4.707 20 0 DJADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1csc(Cl)c1 ZINC000469061919 339278899 /nfs/dbraw/zinc/27/88/99/339278899.db2.gz SHZDTTBPYLGXGZ-UONOGXRCSA-N 1 3 314.926 4.564 20 0 DJADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1csc(Cl)c1 ZINC000469061919 339278900 /nfs/dbraw/zinc/27/89/00/339278900.db2.gz SHZDTTBPYLGXGZ-UONOGXRCSA-N 1 3 314.926 4.564 20 0 DJADHO CC(C)[NH+]1CCC(N[C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000469204463 339283022 /nfs/dbraw/zinc/28/30/22/339283022.db2.gz ONQXYXUZPOREIC-LJQANCHMSA-N 1 3 320.908 4.644 20 0 DJADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000480615470 339579726 /nfs/dbraw/zinc/57/97/26/339579726.db2.gz PFQMQIUSFLPTDS-AWEZNQCLSA-N 1 3 314.926 4.564 20 0 DJADHO CC[C@@H](NCc1cccc(C[NH+](CC)CC)c1)c1cccs1 ZINC000481319620 339601076 /nfs/dbraw/zinc/60/10/76/339601076.db2.gz IALKNAPISCCJBU-GOSISDBHSA-N 1 3 316.514 4.831 20 0 DJADHO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000512314123 340356620 /nfs/dbraw/zinc/35/66/20/340356620.db2.gz MKNUNNKMWLOWTQ-ZMSDIMECSA-N 1 3 320.908 4.644 20 0 DJADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)s1 ZINC000512317715 340356711 /nfs/dbraw/zinc/35/67/11/340356711.db2.gz FRPDMRJUWRIXGV-VYDXJSESSA-N 1 3 320.546 4.669 20 0 DJADHO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000512330387 340357473 /nfs/dbraw/zinc/35/74/73/340357473.db2.gz UDWYBDBWVKTXIC-ZMSDIMECSA-N 1 3 320.908 4.644 20 0 DJADHO CC(C)[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000539164465 340875338 /nfs/dbraw/zinc/87/53/38/340875338.db2.gz RCPYCJUZNBARDP-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO CCCCN1CCC([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000130472105 341022649 /nfs/dbraw/zinc/02/26/49/341022649.db2.gz MGMQFZUOIBWGHM-BBRMVZONSA-N 1 3 324.559 4.528 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(F)c1 ZINC000079122125 341253997 /nfs/dbraw/zinc/25/39/97/341253997.db2.gz RMYCVJDLAWFVTC-MRXNPFEDSA-N 1 3 314.448 4.518 20 0 DJADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933302 341371250 /nfs/dbraw/zinc/37/12/50/341371250.db2.gz CFQWZOKZYCFQBU-JJRVBVJISA-N 1 3 320.527 4.543 20 0 DJADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933302 341371251 /nfs/dbraw/zinc/37/12/51/341371251.db2.gz CFQWZOKZYCFQBU-JJRVBVJISA-N 1 3 320.527 4.543 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@H](C)c3ccccc32)c1 ZINC000576379971 341843377 /nfs/dbraw/zinc/84/33/77/341843377.db2.gz PHAWDUUKJKGPCA-JTSKRJEESA-N 1 3 322.496 4.867 20 0 DJADHO Cc1cc(C)c(CNCc2ccccc2C[N@@H+](C)C(C)C)c(C)c1 ZINC000518265781 332003047 /nfs/dbraw/zinc/00/30/47/332003047.db2.gz CFLUCHCQFYVQBR-UHFFFAOYSA-N 1 3 324.512 4.742 20 0 DJADHO Cc1cc(C)c(CNCc2ccccc2C[N@H+](C)C(C)C)c(C)c1 ZINC000518265781 332003048 /nfs/dbraw/zinc/00/30/48/332003048.db2.gz CFLUCHCQFYVQBR-UHFFFAOYSA-N 1 3 324.512 4.742 20 0 DJADHO CN(C)Cc1ccc(-c2ccccc2C[NH2+]CC(C)(C)C)cc1 ZINC000518269401 332003498 /nfs/dbraw/zinc/00/34/98/332003498.db2.gz DZSWHZWBBMTBPF-UHFFFAOYSA-N 1 3 310.485 4.551 20 0 DJADHO Cc1ccccc1CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000497323797 333236308 /nfs/dbraw/zinc/23/63/08/333236308.db2.gz XHLXQQGZNNKECF-UHFFFAOYSA-N 1 3 322.496 4.661 20 0 DJADHO [NH3+]CCC[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000415058625 334261935 /nfs/dbraw/zinc/26/19/35/334261935.db2.gz UGJPJRAREWARIX-QGZVFWFLSA-N 1 3 323.267 4.563 20 0 DJADHO Cc1cc([C@H](C)N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C)s1 ZINC000415117602 334283876 /nfs/dbraw/zinc/28/38/76/334283876.db2.gz ITURBYWVZVOWAC-POZUXBRTSA-N 1 3 314.498 4.509 20 0 DJADHO Cc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000531946099 334301295 /nfs/dbraw/zinc/30/12/95/334301295.db2.gz IQFBTICUGPEASC-LJQANCHMSA-N 1 3 322.496 4.832 20 0 DJADHO Cc1ccc(C)c([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000531942419 334302410 /nfs/dbraw/zinc/30/24/10/334302410.db2.gz DBUPUBMALCQWEF-LJQANCHMSA-N 1 3 322.496 4.750 20 0 DJADHO CC(C)=CCC[C@@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000531950177 334304089 /nfs/dbraw/zinc/30/40/89/334304089.db2.gz DZSAKASTBSEVIO-QGZVFWFLSA-N 1 3 320.546 4.685 20 0 DJADHO C[NH+](C)Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000344095377 335217475 /nfs/dbraw/zinc/21/74/75/335217475.db2.gz FYZBIOZZWPUOMW-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CN(C)Cc1ccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000344095377 335217476 /nfs/dbraw/zinc/21/74/76/335217476.db2.gz FYZBIOZZWPUOMW-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C(C)C)cc1 ZINC000323887078 335646632 /nfs/dbraw/zinc/64/66/32/335646632.db2.gz VXXOFHRQACPZGI-UHFFFAOYSA-N 1 3 324.512 4.942 20 0 DJADHO Cc1ccc(C)c([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000532454358 336248291 /nfs/dbraw/zinc/24/82/91/336248291.db2.gz SKVLSWVNACMPQZ-LJQANCHMSA-N 1 3 322.496 4.750 20 0 DJADHO CC(C)CC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccoc1 ZINC000353432560 336417586 /nfs/dbraw/zinc/41/75/86/336417586.db2.gz CBDPTRXYDZFKST-FQEVSTJZSA-N 1 3 314.473 4.608 20 0 DJADHO Cc1cc2cc([C@@H](C)NCc3ccc([C@@H](C)[NH3+])cc3)oc2cc1C ZINC000423292004 337710070 /nfs/dbraw/zinc/71/00/70/337710070.db2.gz KXKQXXLLTOPMAA-HZPDHXFCSA-N 1 3 322.452 4.920 20 0 DJADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCc3c(Cl)cccc32)cc1 ZINC000423294786 337710731 /nfs/dbraw/zinc/71/07/31/337710731.db2.gz VKPVCRGMFNCMTP-BFUOFWGJSA-N 1 3 314.860 4.527 20 0 DJADHO CCC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccsc1 ZINC000423502351 337723308 /nfs/dbraw/zinc/72/33/08/337723308.db2.gz DVWIAAJFJJUVKV-QZTJIDSGSA-N 1 3 302.487 4.659 20 0 DJADHO CSc1ccccc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423501375 337723331 /nfs/dbraw/zinc/72/33/31/337723331.db2.gz CRSICWQCZFSENK-MAUKXSAKSA-N 1 3 314.498 4.539 20 0 DJADHO Cc1cc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc(C)c1F ZINC000423507830 337723610 /nfs/dbraw/zinc/72/36/10/337723610.db2.gz QMSOMZDPWMFBCC-QFBILLFUSA-N 1 3 314.448 4.573 20 0 DJADHO Cc1cc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc(C)c1F ZINC000423507829 337723653 /nfs/dbraw/zinc/72/36/53/337723653.db2.gz QMSOMZDPWMFBCC-LPHOPBHVSA-N 1 3 314.448 4.573 20 0 DJADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000461399474 339063132 /nfs/dbraw/zinc/06/31/32/339063132.db2.gz FJYRPASPPZTQSN-UHFFFAOYSA-N 1 3 324.459 4.568 20 0 DJADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000461399474 339063133 /nfs/dbraw/zinc/06/31/33/339063133.db2.gz FJYRPASPPZTQSN-UHFFFAOYSA-N 1 3 324.459 4.568 20 0 DJADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(Cl)c1 ZINC000467853648 339247662 /nfs/dbraw/zinc/24/76/62/339247662.db2.gz SKBSUIRUVRLQEV-QAPCUYQASA-N 1 3 308.897 4.501 20 0 DJADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1csc(Cl)c1 ZINC000468818361 339271680 /nfs/dbraw/zinc/27/16/80/339271680.db2.gz CZZXAIPGUAEOKH-KGLIPLIRSA-N 1 3 314.926 4.707 20 0 DJADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1csc(Cl)c1 ZINC000468818361 339271681 /nfs/dbraw/zinc/27/16/81/339271681.db2.gz CZZXAIPGUAEOKH-KGLIPLIRSA-N 1 3 314.926 4.707 20 0 DJADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1csc(Cl)c1 ZINC000469062088 339279019 /nfs/dbraw/zinc/27/90/19/339279019.db2.gz SHZDTTBPYLGXGZ-ZIAGYGMSSA-N 1 3 314.926 4.564 20 0 DJADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1csc(Cl)c1 ZINC000469062088 339279020 /nfs/dbraw/zinc/27/90/20/339279020.db2.gz SHZDTTBPYLGXGZ-ZIAGYGMSSA-N 1 3 314.926 4.564 20 0 DJADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000504900271 340155225 /nfs/dbraw/zinc/15/52/25/340155225.db2.gz UYYFFDYIXJAJTR-JXFKEZNVSA-N 1 3 312.501 4.540 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)c3c2cccc3C)c1 ZINC000504927542 340156543 /nfs/dbraw/zinc/15/65/43/340156543.db2.gz QLNCCOCZDJZQQB-LAUBAEHRSA-N 1 3 322.496 4.785 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)c3c2cccc3C)c1 ZINC000504927542 340156544 /nfs/dbraw/zinc/15/65/44/340156544.db2.gz QLNCCOCZDJZQQB-LAUBAEHRSA-N 1 3 322.496 4.785 20 0 DJADHO CC[NH+](CC)Cc1ccc(CNCc2cc(C)c(C)cc2C)cc1 ZINC000302740193 340280339 /nfs/dbraw/zinc/28/03/39/340280339.db2.gz JMTCIXZALAHNCV-UHFFFAOYSA-N 1 3 324.512 4.743 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000512314232 340356516 /nfs/dbraw/zinc/35/65/16/340356516.db2.gz NPPUMGSCUIHVEI-ABSDTBQOSA-N 1 3 314.517 4.553 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000512330509 340357457 /nfs/dbraw/zinc/35/74/57/340357457.db2.gz FDKUFTHQBMXXSY-BJLQDIEVSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330509 340357458 /nfs/dbraw/zinc/35/74/58/340357458.db2.gz FDKUFTHQBMXXSY-BJLQDIEVSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1C ZINC000512330509 340357459 /nfs/dbraw/zinc/35/74/59/340357459.db2.gz FDKUFTHQBMXXSY-BJLQDIEVSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512331825 340357507 /nfs/dbraw/zinc/35/75/07/340357507.db2.gz LCGFSGDNTVDRAV-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331825 340357508 /nfs/dbraw/zinc/35/75/08/340357508.db2.gz LCGFSGDNTVDRAV-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000512331825 340357509 /nfs/dbraw/zinc/35/75/09/340357509.db2.gz LCGFSGDNTVDRAV-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000078730484 341246967 /nfs/dbraw/zinc/24/69/67/341246967.db2.gz BKJIYFRXHDWWMA-SFHVURJKSA-N 1 3 308.469 4.523 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000550643656 341320186 /nfs/dbraw/zinc/32/01/86/341320186.db2.gz BXUVHQUHGIPMHQ-KRWDZBQOSA-N 1 3 322.496 4.867 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000550643656 341320187 /nfs/dbraw/zinc/32/01/87/341320187.db2.gz BXUVHQUHGIPMHQ-KRWDZBQOSA-N 1 3 322.496 4.867 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000566245013 332276710 /nfs/dbraw/zinc/27/67/10/332276710.db2.gz HRHLLITZLVNCPL-QGZVFWFLSA-N 1 3 323.267 4.693 20 0 DJADHO CC[C@H](c1ccc(Cl)cc1)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000560336582 332331674 /nfs/dbraw/zinc/33/16/74/332331674.db2.gz ZVCJTESLOIWHRW-LJQANCHMSA-N 1 3 322.924 4.843 20 0 DJADHO CC[C@H](c1ccc(Cl)cc1)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336582 332331676 /nfs/dbraw/zinc/33/16/76/332331676.db2.gz ZVCJTESLOIWHRW-LJQANCHMSA-N 1 3 322.924 4.843 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1 ZINC000320081275 333423932 /nfs/dbraw/zinc/42/39/32/333423932.db2.gz WATVWTLHNRBZQK-MRXNPFEDSA-N 1 3 314.448 4.518 20 0 DJADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1cc(Cl)sc1Cl ZINC000453395281 334265285 /nfs/dbraw/zinc/26/52/85/334265285.db2.gz HNWJVLRSWYBGEW-SNVBAGLBSA-N 1 3 321.317 4.580 20 0 DJADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1cc(Cl)sc1Cl ZINC000453395281 334265286 /nfs/dbraw/zinc/26/52/86/334265286.db2.gz HNWJVLRSWYBGEW-SNVBAGLBSA-N 1 3 321.317 4.580 20 0 DJADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000187729158 334269824 /nfs/dbraw/zinc/26/98/24/334269824.db2.gz NBBRRXRVDYEGCN-OAHLLOKOSA-N 1 3 324.493 4.814 20 0 DJADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000534495575 334277563 /nfs/dbraw/zinc/27/75/63/334277563.db2.gz DOKAUZGAIKCUGF-IRXDYDNUSA-N 1 3 320.546 4.570 20 0 DJADHO Cc1ccc(C)c([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000531942415 334302287 /nfs/dbraw/zinc/30/22/87/334302287.db2.gz DBUPUBMALCQWEF-IBGZPJMESA-N 1 3 322.496 4.750 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1sccc1C ZINC000112223620 334372794 /nfs/dbraw/zinc/37/27/94/334372794.db2.gz JNMBFIRSOMCTNQ-INIZCTEOSA-N 1 3 316.514 4.749 20 0 DJADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000343939857 335203342 /nfs/dbraw/zinc/20/33/42/335203342.db2.gz HQNYCRUQOKHPJO-IBGZPJMESA-N 1 3 316.876 4.643 20 0 DJADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCCc2ccccc21 ZINC000353050725 336391617 /nfs/dbraw/zinc/39/16/17/336391617.db2.gz VSTFMAWBUDTEFI-QFIPXVFZSA-N 1 3 322.496 4.694 20 0 DJADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCc2ccccc21 ZINC000353050725 336391618 /nfs/dbraw/zinc/39/16/18/336391618.db2.gz VSTFMAWBUDTEFI-QFIPXVFZSA-N 1 3 322.496 4.694 20 0 DJADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000423288922 337709689 /nfs/dbraw/zinc/70/96/89/337709689.db2.gz AALRJBQXYSMBEW-STQMWFEESA-N 1 3 322.374 4.576 20 0 DJADHO Cc1ccc([C@@H](NCc2ccc([C@@H](C)[NH3+])cc2)C2CCCC2)o1 ZINC000423292436 337710262 /nfs/dbraw/zinc/71/02/62/337710262.db2.gz MZSLDRFBFJNNGG-QRWLVFNGSA-N 1 3 312.457 4.629 20 0 DJADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000423497065 337723046 /nfs/dbraw/zinc/72/30/46/337723046.db2.gz FYBOAYHTPWTPFK-GJZGRUSLSA-N 1 3 322.905 4.922 20 0 DJADHO CSc1ccccc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423501377 337723317 /nfs/dbraw/zinc/72/33/17/337723317.db2.gz CRSICWQCZFSENK-QAPCUYQASA-N 1 3 314.498 4.539 20 0 DJADHO CC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423510865 337723962 /nfs/dbraw/zinc/72/39/62/337723962.db2.gz SOLORLNQFBBAMN-MOPGFXCFSA-N 1 3 316.876 4.861 20 0 DJADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423510866 337724044 /nfs/dbraw/zinc/72/40/44/337724044.db2.gz SOLORLNQFBBAMN-OALUTQOASA-N 1 3 316.876 4.861 20 0 DJADHO CC[NH+](CC)CCC[C@H](C)NCc1csc(Cl)c1Cl ZINC000432234126 338149458 /nfs/dbraw/zinc/14/94/58/338149458.db2.gz ULMKWFFIGFPJEG-NSHDSACASA-N 1 3 323.333 4.655 20 0 DJADHO CC1(C)CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000462767026 339087655 /nfs/dbraw/zinc/08/76/55/339087655.db2.gz MBGLUSMRTZZEPS-UHFFFAOYSA-N 1 3 320.546 4.519 20 0 DJADHO CCCC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000467830652 339247116 /nfs/dbraw/zinc/24/71/16/339247116.db2.gz CUMOIIRZVCDEKH-OAQYLSRUSA-N 1 3 310.485 4.769 20 0 DJADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1csc(Cl)c1 ZINC000469094670 339279992 /nfs/dbraw/zinc/27/99/92/339279992.db2.gz WYAIHEAPLGOEKT-CQSZACIVSA-N 1 3 314.926 4.564 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3c2cccc3C)cc1 ZINC000480135313 339560145 /nfs/dbraw/zinc/56/01/45/339560145.db2.gz AAVZQUATBUYCRG-QFIPXVFZSA-N 1 3 322.496 4.614 20 0 DJADHO CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)cc1 ZINC000480170912 339561926 /nfs/dbraw/zinc/56/19/26/339561926.db2.gz OXBSIOVJPLUHCU-QFIPXVFZSA-N 1 3 322.496 4.832 20 0 DJADHO Cc1cccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000480172451 339561980 /nfs/dbraw/zinc/56/19/80/339561980.db2.gz SXLICDCKXWVXRP-IBGZPJMESA-N 1 3 322.496 4.750 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(C)cc2)c1 ZINC000481296092 339600149 /nfs/dbraw/zinc/60/01/49/339600149.db2.gz RBNFDEADEAIOKR-GOSISDBHSA-N 1 3 310.485 4.688 20 0 DJADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000504900274 340155298 /nfs/dbraw/zinc/15/52/98/340155298.db2.gz UYYFFDYIXJAJTR-UZLBHIALSA-N 1 3 312.501 4.540 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2occc2c1 ZINC000510239753 340293833 /nfs/dbraw/zinc/29/38/33/340293833.db2.gz JYRWUIUUKONLSY-UHFFFAOYSA-N 1 3 322.452 4.564 20 0 DJADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2occc2c1 ZINC000512097781 340348482 /nfs/dbraw/zinc/34/84/82/340348482.db2.gz FVCTYVHBIVKRGA-UHFFFAOYSA-N 1 3 322.452 4.563 20 0 DJADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2occc2c1 ZINC000512097781 340348483 /nfs/dbraw/zinc/34/84/83/340348483.db2.gz FVCTYVHBIVKRGA-UHFFFAOYSA-N 1 3 322.452 4.563 20 0 DJADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3occc3c2)c1 ZINC000512119018 340349012 /nfs/dbraw/zinc/34/90/12/340349012.db2.gz AIXWNFXOVLLLPE-UHFFFAOYSA-N 1 3 322.452 4.564 20 0 DJADHO CCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000512316178 340356508 /nfs/dbraw/zinc/35/65/08/340356508.db2.gz WZMUMKGOVFYJJM-HRCADAONSA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316178 340356509 /nfs/dbraw/zinc/35/65/09/340356509.db2.gz WZMUMKGOVFYJJM-HRCADAONSA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000512316178 340356510 /nfs/dbraw/zinc/35/65/10/340356510.db2.gz WZMUMKGOVFYJJM-HRCADAONSA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000512316180 340356661 /nfs/dbraw/zinc/35/66/61/340356661.db2.gz WZMUMKGOVFYJJM-OWCLPIDISA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316180 340356662 /nfs/dbraw/zinc/35/66/62/340356662.db2.gz WZMUMKGOVFYJJM-OWCLPIDISA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000512316180 340356663 /nfs/dbraw/zinc/35/66/63/340356663.db2.gz WZMUMKGOVFYJJM-OWCLPIDISA-N 1 3 320.546 4.614 20 0 DJADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326902 340357339 /nfs/dbraw/zinc/35/73/39/340357339.db2.gz BDLGFNAGLURIRR-CUWPLCDZSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326902 340357340 /nfs/dbraw/zinc/35/73/40/340357340.db2.gz BDLGFNAGLURIRR-CUWPLCDZSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(C)cc1 ZINC000512326902 340357341 /nfs/dbraw/zinc/35/73/41/340357341.db2.gz BDLGFNAGLURIRR-CUWPLCDZSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C)c1 ZINC000513760474 340423722 /nfs/dbraw/zinc/42/37/22/340423722.db2.gz JLLQSMVIUUGOBC-JOCHJYFZSA-N 1 3 322.496 4.832 20 0 DJADHO CC(C)[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000539163894 340875188 /nfs/dbraw/zinc/87/51/88/340875188.db2.gz KENUOCMFJKXZRE-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000391774418 335095168 /nfs/dbraw/zinc/09/51/68/335095168.db2.gz ASDBZSMFCIFWCP-UHFFFAOYSA-N 1 3 322.496 4.706 20 0 DJADHO CC[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000462764836 333109792 /nfs/dbraw/zinc/10/97/92/333109792.db2.gz HDBWPXXQYVETML-WMZOPIPTSA-N 1 3 320.546 4.519 20 0 DJADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cc2ccccc2s1 ZINC000170961417 333235952 /nfs/dbraw/zinc/23/59/52/333235952.db2.gz BNABPYLCXPGPLK-OAHLLOKOSA-N 1 3 324.493 4.814 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1 ZINC000320241524 333459596 /nfs/dbraw/zinc/45/95/96/333459596.db2.gz YRCVTINZAMTPRQ-SFHVURJKSA-N 1 3 310.485 4.688 20 0 DJADHO CC(C)(C)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415066148 334262451 /nfs/dbraw/zinc/26/24/51/334262451.db2.gz NZECLDVXACCJBO-HXUWFJFHSA-N 1 3 310.485 4.554 20 0 DJADHO [NH3+]CCC[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000415061860 334262471 /nfs/dbraw/zinc/26/24/71/334262471.db2.gz YXAACICFYUSWPC-KRWDZBQOSA-N 1 3 323.267 4.563 20 0 DJADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1cc(Cl)sc1Cl ZINC000453395280 334265100 /nfs/dbraw/zinc/26/51/00/334265100.db2.gz HNWJVLRSWYBGEW-JTQLQIEISA-N 1 3 321.317 4.580 20 0 DJADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1cc(Cl)sc1Cl ZINC000453395280 334265101 /nfs/dbraw/zinc/26/51/01/334265101.db2.gz HNWJVLRSWYBGEW-JTQLQIEISA-N 1 3 321.317 4.580 20 0 DJADHO Cc1cc([C@H](C)N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C)s1 ZINC000415117608 334283965 /nfs/dbraw/zinc/28/39/65/334283965.db2.gz ITURBYWVZVOWAC-UCLAIMLFSA-N 1 3 314.498 4.509 20 0 DJADHO Cc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000531946098 334301287 /nfs/dbraw/zinc/30/12/87/334301287.db2.gz IQFBTICUGPEASC-IBGZPJMESA-N 1 3 322.496 4.832 20 0 DJADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccs1 ZINC000532457365 336248308 /nfs/dbraw/zinc/24/83/08/336248308.db2.gz KCSXXXVLUSFNSH-MRXNPFEDSA-N 1 3 314.498 4.585 20 0 DJADHO Cc1c2ccccc2oc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423507680 337723600 /nfs/dbraw/zinc/72/36/00/337723600.db2.gz QBNZACIVYQFCAS-QFBILLFUSA-N 1 3 322.452 4.872 20 0 DJADHO CC(C)[C@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000447532892 338554735 /nfs/dbraw/zinc/55/47/35/338554735.db2.gz XXQOKLHCTJBSEK-YADHBBJMSA-N 1 3 322.496 4.722 20 0 DJADHO Cc1cc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000453093418 338792999 /nfs/dbraw/zinc/79/29/99/338792999.db2.gz RFXYRNTUHYDZDD-INIZCTEOSA-N 1 3 314.498 4.503 20 0 DJADHO CCCC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000467842102 339247415 /nfs/dbraw/zinc/24/74/15/339247415.db2.gz PRNKVBAKOXJTLI-NRFANRHFSA-N 1 3 310.485 4.769 20 0 DJADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(Cl)c1 ZINC000467853646 339247704 /nfs/dbraw/zinc/24/77/04/339247704.db2.gz SKBSUIRUVRLQEV-CRAIPNDOSA-N 1 3 308.897 4.501 20 0 DJADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1csc(Cl)c1 ZINC000469307606 339285786 /nfs/dbraw/zinc/28/57/86/339285786.db2.gz WYJLPOQIWWCAGE-AWEZNQCLSA-N 1 3 314.926 4.708 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2c1cccc2C ZINC000480445111 339573165 /nfs/dbraw/zinc/57/31/65/339573165.db2.gz YTWIRMSYKBXSLT-QFIPXVFZSA-N 1 3 322.496 4.614 20 0 DJADHO CC[NH+](CC)Cc1ccc(CNCc2ccc3occc3c2)cc1 ZINC000510231408 340293332 /nfs/dbraw/zinc/29/33/32/340293332.db2.gz VSVJONGHYYEQRK-UHFFFAOYSA-N 1 3 322.452 4.564 20 0 DJADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cccc(Cl)c1 ZINC000512314125 340356582 /nfs/dbraw/zinc/35/65/82/340356582.db2.gz MKNUNNKMWLOWTQ-ZOBUZTSGSA-N 1 3 320.908 4.644 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000512330470 340357365 /nfs/dbraw/zinc/35/73/65/340357365.db2.gz DSBFOJPYXDMQFU-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330470 340357366 /nfs/dbraw/zinc/35/73/66/340357366.db2.gz DSBFOJPYXDMQFU-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000512330470 340357367 /nfs/dbraw/zinc/35/73/67/340357367.db2.gz DSBFOJPYXDMQFU-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512331824 340357423 /nfs/dbraw/zinc/35/74/23/340357423.db2.gz LCGFSGDNTVDRAV-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331824 340357424 /nfs/dbraw/zinc/35/74/24/340357424.db2.gz LCGFSGDNTVDRAV-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000512331824 340357425 /nfs/dbraw/zinc/35/74/25/340357425.db2.gz LCGFSGDNTVDRAV-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc(CNCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000517542024 340471579 /nfs/dbraw/zinc/47/15/79/340471579.db2.gz HFWBTOXALVQMNX-UHFFFAOYSA-N 1 3 322.496 4.579 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H]2C[C@@H](C)c3ccccc32)cc1 ZINC000326557378 340715507 /nfs/dbraw/zinc/71/55/07/340715507.db2.gz QLMHCOINMHOTOW-VGSWGCGISA-N 1 3 322.496 4.867 20 0 DJADHO CC(C)C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccs1 ZINC000123677279 340793450 /nfs/dbraw/zinc/79/34/50/340793450.db2.gz URJHYHLCHLCKMV-GOSISDBHSA-N 1 3 316.514 4.687 20 0 DJADHO CC(C)[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000539163892 340875308 /nfs/dbraw/zinc/87/53/08/340875308.db2.gz KENUOCMFJKXZRE-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000078730490 341246928 /nfs/dbraw/zinc/24/69/28/341246928.db2.gz BKJIYFRXHDWWMA-GOSISDBHSA-N 1 3 308.469 4.523 20 0 DJADHO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000551063725 341330701 /nfs/dbraw/zinc/33/07/01/341330701.db2.gz ZMZFRSGZYKUJLX-HNNXBMFYSA-N 1 3 314.448 4.502 20 0 DJADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933297 341371276 /nfs/dbraw/zinc/37/12/76/341371276.db2.gz CFQWZOKZYCFQBU-GRDNDAEWSA-N 1 3 320.527 4.543 20 0 DJADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933297 341371277 /nfs/dbraw/zinc/37/12/77/341371277.db2.gz CFQWZOKZYCFQBU-GRDNDAEWSA-N 1 3 320.527 4.543 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccccc2C)cc1 ZINC000390311748 333265325 /nfs/dbraw/zinc/26/53/25/333265325.db2.gz NPRBNUNUGGPSCB-SFHVURJKSA-N 1 3 310.485 4.688 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccccc2C)cc1 ZINC000390311745 333265410 /nfs/dbraw/zinc/26/54/10/333265410.db2.gz NPRBNUNUGGPSCB-GOSISDBHSA-N 1 3 310.485 4.688 20 0 DJADHO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cccs1 ZINC000411538025 333690272 /nfs/dbraw/zinc/69/02/72/333690272.db2.gz SUIHUPZZOPSJGX-MRXNPFEDSA-N 1 3 314.498 4.585 20 0 DJADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000534495574 334277452 /nfs/dbraw/zinc/27/74/52/334277452.db2.gz DOKAUZGAIKCUGF-IAGOWNOFSA-N 1 3 320.546 4.570 20 0 DJADHO CC(C)C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000531944547 334300147 /nfs/dbraw/zinc/30/01/47/334300147.db2.gz YQPRIXBPCWTONU-OAQYLSRUSA-N 1 3 310.485 4.625 20 0 DJADHO CC(C)C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000531944547 334300149 /nfs/dbraw/zinc/30/01/49/334300149.db2.gz YQPRIXBPCWTONU-OAQYLSRUSA-N 1 3 310.485 4.625 20 0 DJADHO Cc1cccc([C@H](C)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000531967521 334326041 /nfs/dbraw/zinc/32/60/41/334326041.db2.gz UDNULYBRZXOZRA-RBUKOAKNSA-N 1 3 322.496 4.871 20 0 DJADHO Cc1cccc([C@@H](C)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000531967522 334326227 /nfs/dbraw/zinc/32/62/27/334326227.db2.gz UDNULYBRZXOZRA-RTBURBONSA-N 1 3 322.496 4.871 20 0 DJADHO C[NH+](C)Cc1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000344095363 335217574 /nfs/dbraw/zinc/21/75/74/335217574.db2.gz FYZBIOZZWPUOMW-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO CN(C)Cc1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000344095363 335217577 /nfs/dbraw/zinc/21/75/77/335217577.db2.gz FYZBIOZZWPUOMW-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC[C@@H](N[C@H](C)CCC[NH+](CC)CC)c1cc(F)ccc1F ZINC000479776562 335762963 /nfs/dbraw/zinc/76/29/63/335762963.db2.gz UHQPWJGTHVGPEC-RDTXWAMCSA-N 1 3 312.448 4.516 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000114505332 335803058 /nfs/dbraw/zinc/80/30/58/335803058.db2.gz SYNRDOQGGHKSSB-OAHLLOKOSA-N 1 3 322.905 4.704 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000583646835 336019077 /nfs/dbraw/zinc/01/90/77/336019077.db2.gz OBEPDCVAUFKSEE-NQIIRXRSSA-N 1 3 322.496 4.577 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000583646835 336019078 /nfs/dbraw/zinc/01/90/78/336019078.db2.gz OBEPDCVAUFKSEE-NQIIRXRSSA-N 1 3 322.496 4.577 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3ccc(C)cc32)cc1 ZINC000325224059 336281694 /nfs/dbraw/zinc/28/16/94/336281694.db2.gz ALSSUZVXYRDZGX-QFIPXVFZSA-N 1 3 322.496 4.614 20 0 DJADHO C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000563999530 336394965 /nfs/dbraw/zinc/39/49/65/336394965.db2.gz YAGITCSEBWTXDR-VGOFRKELSA-N 1 3 320.480 4.621 20 0 DJADHO CCSc1ccccc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423291750 337710080 /nfs/dbraw/zinc/71/00/80/337710080.db2.gz JSANGQDRCADRRR-HUUCEWRRSA-N 1 3 314.498 4.669 20 0 DJADHO CCSc1ccccc1[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423291748 337710102 /nfs/dbraw/zinc/71/01/02/337710102.db2.gz JSANGQDRCADRRR-CABCVRRESA-N 1 3 314.498 4.669 20 0 DJADHO CSc1ccccc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423501378 337723333 /nfs/dbraw/zinc/72/33/33/337723333.db2.gz CRSICWQCZFSENK-YJBOKZPZSA-N 1 3 314.498 4.539 20 0 DJADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000156560609 338369125 /nfs/dbraw/zinc/36/91/25/338369125.db2.gz QJUPDJAKQIYVKT-FFSVYQOJSA-N 1 3 315.288 4.517 20 0 DJADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000156560609 338369126 /nfs/dbraw/zinc/36/91/26/338369126.db2.gz QJUPDJAKQIYVKT-FFSVYQOJSA-N 1 3 315.288 4.517 20 0 DJADHO CC(C)[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000447532889 338554792 /nfs/dbraw/zinc/55/47/92/338554792.db2.gz XXQOKLHCTJBSEK-FCHUYYIVSA-N 1 3 322.496 4.722 20 0 DJADHO C[C@@H]1CC[C@H](NCc2ccc(C[NH+](C)C)cc2)c2sccc21 ZINC000453080439 338791245 /nfs/dbraw/zinc/79/12/45/338791245.db2.gz JQRMDCPAUIBWJE-KDOFPFPSSA-N 1 3 314.498 4.538 20 0 DJADHO CC[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000462764823 339087440 /nfs/dbraw/zinc/08/74/40/339087440.db2.gz HDBWPXXQYVETML-AEFFLSMTSA-N 1 3 320.546 4.519 20 0 DJADHO CCCC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000467842103 339247350 /nfs/dbraw/zinc/24/73/50/339247350.db2.gz PRNKVBAKOXJTLI-OAQYLSRUSA-N 1 3 310.485 4.769 20 0 DJADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(Cl)c1 ZINC000467853647 339247724 /nfs/dbraw/zinc/24/77/24/339247724.db2.gz SKBSUIRUVRLQEV-MAUKXSAKSA-N 1 3 308.897 4.501 20 0 DJADHO Cc1ccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000480277907 339566934 /nfs/dbraw/zinc/56/69/34/339566934.db2.gz YODZGNFFWWFZGW-LJQANCHMSA-N 1 3 322.496 4.750 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000481314921 339600897 /nfs/dbraw/zinc/60/08/97/339600897.db2.gz LTLQXYNWCMMUFX-MRXNPFEDSA-N 1 3 314.448 4.518 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000512314233 340356614 /nfs/dbraw/zinc/35/66/14/340356614.db2.gz NPPUMGSCUIHVEI-QKLQHJQFSA-N 1 3 314.517 4.553 20 0 DJADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)s1 ZINC000512317714 340356694 /nfs/dbraw/zinc/35/66/94/340356694.db2.gz FRPDMRJUWRIXGV-HLLBOEOZSA-N 1 3 320.546 4.669 20 0 DJADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)s1 ZINC000512317717 340356772 /nfs/dbraw/zinc/35/67/72/340356772.db2.gz FRPDMRJUWRIXGV-ZOBUZTSGSA-N 1 3 320.546 4.669 20 0 DJADHO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000512330382 340357372 /nfs/dbraw/zinc/35/73/72/340357372.db2.gz UDWYBDBWVKTXIC-UXLLHSPISA-N 1 3 320.908 4.644 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512331826 340357389 /nfs/dbraw/zinc/35/73/89/340357389.db2.gz LCGFSGDNTVDRAV-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331826 340357390 /nfs/dbraw/zinc/35/73/90/340357390.db2.gz LCGFSGDNTVDRAV-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000512331826 340357391 /nfs/dbraw/zinc/35/73/91/340357391.db2.gz LCGFSGDNTVDRAV-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000512330471 340357499 /nfs/dbraw/zinc/35/74/99/340357499.db2.gz DSBFOJPYXDMQFU-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330471 340357500 /nfs/dbraw/zinc/35/75/00/340357500.db2.gz DSBFOJPYXDMQFU-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000512330471 340357501 /nfs/dbraw/zinc/35/75/01/340357501.db2.gz DSBFOJPYXDMQFU-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(F)c1 ZINC000173915349 340377686 /nfs/dbraw/zinc/37/76/86/340377686.db2.gz JMYZCQORIQESQV-MRXNPFEDSA-N 1 3 314.448 4.517 20 0 DJADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(F)c1 ZINC000173915349 340377687 /nfs/dbraw/zinc/37/76/87/340377687.db2.gz JMYZCQORIQESQV-MRXNPFEDSA-N 1 3 314.448 4.517 20 0 DJADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000512999574 340387716 /nfs/dbraw/zinc/38/77/16/340387716.db2.gz SUUYCGUHZXFHQP-SQFISAMPSA-N 1 3 320.908 4.596 20 0 DJADHO CC[NH+](CC)Cc1cccc(CNCc2c(C)cc(C)cc2C)c1 ZINC000513104785 340393486 /nfs/dbraw/zinc/39/34/86/340393486.db2.gz NBVQBRSXCBIDBH-UHFFFAOYSA-N 1 3 324.512 4.743 20 0 DJADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037200907 340772738 /nfs/dbraw/zinc/77/27/38/340772738.db2.gz IFMBVJCNSKOGPD-KBPBESRZSA-N 1 3 314.876 4.640 20 0 DJADHO CCCCN1CCC([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000130471908 341022545 /nfs/dbraw/zinc/02/25/45/341022545.db2.gz MGMQFZUOIBWGHM-XJKSGUPXSA-N 1 3 324.559 4.528 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(C3CC3)c2)c1 ZINC000550643657 341320229 /nfs/dbraw/zinc/32/02/29/341320229.db2.gz BXUVHQUHGIPMHQ-QGZVFWFLSA-N 1 3 322.496 4.867 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(C3CC3)c2)c1 ZINC000550643657 341320230 /nfs/dbraw/zinc/32/02/30/341320230.db2.gz BXUVHQUHGIPMHQ-QGZVFWFLSA-N 1 3 322.496 4.867 20 0 DJADHO CC(C)(C)[C@H](NCc1ccc(C[NH3+])cc1)c1cc2ccccc2o1 ZINC000577492554 341912529 /nfs/dbraw/zinc/91/25/29/341912529.db2.gz DSNDEWCUYZQMRE-HXUWFJFHSA-N 1 3 322.452 4.769 20 0 DJADHO CC(C)C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000171132290 332859730 /nfs/dbraw/zinc/85/97/30/332859730.db2.gz ANZCCYJRYZIFII-SFHVURJKSA-N 1 3 316.514 4.687 20 0 DJADHO CCc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000518271811 332004018 /nfs/dbraw/zinc/00/40/18/332004018.db2.gz GSDMGGDOPMLJBB-UHFFFAOYSA-N 1 3 322.496 4.525 20 0 DJADHO Cc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000518271840 332004155 /nfs/dbraw/zinc/00/41/55/332004155.db2.gz KHIWYDUKVHXVSF-UHFFFAOYSA-N 1 3 322.496 4.579 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(F)c2)cc1 ZINC000320726285 335132735 /nfs/dbraw/zinc/13/27/35/335132735.db2.gz WRDRRABCWORESA-MRXNPFEDSA-N 1 3 314.448 4.518 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccccc1C ZINC000320350329 333518114 /nfs/dbraw/zinc/51/81/14/333518114.db2.gz PVEGMAMFWLMHPF-SFHVURJKSA-N 1 3 310.485 4.688 20 0 DJADHO CCC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccsc1 ZINC000187747126 334271069 /nfs/dbraw/zinc/27/10/69/334271069.db2.gz NUZYYFSGRCCXAP-GOSISDBHSA-N 1 3 306.519 4.586 20 0 DJADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000343939868 335203396 /nfs/dbraw/zinc/20/33/96/335203396.db2.gz HQNYCRUQOKHPJO-LJQANCHMSA-N 1 3 316.876 4.643 20 0 DJADHO C[NH+](C)Cc1cccc(CN[C@H](CC2CCC2)c2ccccc2)c1 ZINC000344144655 335221448 /nfs/dbraw/zinc/22/14/48/335221448.db2.gz VNLLWTHRQGMHAG-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO CN(C)Cc1cccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC000344144655 335221450 /nfs/dbraw/zinc/22/14/50/335221450.db2.gz VNLLWTHRQGMHAG-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000123713001 335804548 /nfs/dbraw/zinc/80/45/48/335804548.db2.gz ZEYBQAYIEIDFDY-OAHLLOKOSA-N 1 3 322.905 4.704 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000583646836 336019125 /nfs/dbraw/zinc/01/91/25/336019125.db2.gz OBEPDCVAUFKSEE-RXVVDRJESA-N 1 3 322.496 4.577 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000583646836 336019126 /nfs/dbraw/zinc/01/91/26/336019126.db2.gz OBEPDCVAUFKSEE-RXVVDRJESA-N 1 3 322.496 4.577 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000532482896 336251732 /nfs/dbraw/zinc/25/17/32/336251732.db2.gz FDYRZNKHWJGSRO-HNNXBMFYSA-N 1 3 316.876 4.643 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000532482896 336251733 /nfs/dbraw/zinc/25/17/33/336251733.db2.gz FDYRZNKHWJGSRO-HNNXBMFYSA-N 1 3 316.876 4.643 20 0 DJADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCCc2ccccc21 ZINC000353050724 336391526 /nfs/dbraw/zinc/39/15/26/336391526.db2.gz VSTFMAWBUDTEFI-JOCHJYFZSA-N 1 3 322.496 4.694 20 0 DJADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCc2ccccc21 ZINC000353050724 336391527 /nfs/dbraw/zinc/39/15/27/336391527.db2.gz VSTFMAWBUDTEFI-JOCHJYFZSA-N 1 3 322.496 4.694 20 0 DJADHO C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000563999531 336394915 /nfs/dbraw/zinc/39/49/15/336394915.db2.gz YAGITCSEBWTXDR-VGSWGCGISA-N 1 3 320.480 4.621 20 0 DJADHO C[C@@H]([NH3+])c1ccc(CN[C@H](c2ccccc2)C2CCCC2)cc1 ZINC000423293595 337710448 /nfs/dbraw/zinc/71/04/48/337710448.db2.gz RTKALYAJVSLLBZ-IIBYNOLFSA-N 1 3 308.469 4.727 20 0 DJADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1csc(Cl)c1 ZINC000469307647 339285835 /nfs/dbraw/zinc/28/58/35/339285835.db2.gz WYJLPOQIWWCAGE-CQSZACIVSA-N 1 3 314.926 4.708 20 0 DJADHO CCCN(C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045993 339335653 /nfs/dbraw/zinc/33/56/53/339335653.db2.gz ALFZLVNVHAZXDF-ZWKOTPCHSA-N 1 3 310.485 4.565 20 0 DJADHO CCCN(C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045993 339335654 /nfs/dbraw/zinc/33/56/54/339335654.db2.gz ALFZLVNVHAZXDF-ZWKOTPCHSA-N 1 3 310.485 4.565 20 0 DJADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045992 339335685 /nfs/dbraw/zinc/33/56/85/339335685.db2.gz ALFZLVNVHAZXDF-ROUUACIJSA-N 1 3 310.485 4.565 20 0 DJADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045992 339335686 /nfs/dbraw/zinc/33/56/86/339335686.db2.gz ALFZLVNVHAZXDF-ROUUACIJSA-N 1 3 310.485 4.565 20 0 DJADHO Cc1cc(C)cc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000480243022 339564935 /nfs/dbraw/zinc/56/49/35/339564935.db2.gz CPAAFMKLOIDYIS-LJQANCHMSA-N 1 3 322.496 4.750 20 0 DJADHO Cc1ccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000480277906 339566946 /nfs/dbraw/zinc/56/69/46/339566946.db2.gz YODZGNFFWWFZGW-IBGZPJMESA-N 1 3 322.496 4.750 20 0 DJADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1 ZINC000512326305 340357211 /nfs/dbraw/zinc/35/72/11/340357211.db2.gz ZWDJAEFRBOHJIB-SYNHAJSKSA-N 1 3 318.480 4.519 20 0 DJADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326903 340357216 /nfs/dbraw/zinc/35/72/16/340357216.db2.gz BDLGFNAGLURIRR-DSKINZAPSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326903 340357217 /nfs/dbraw/zinc/35/72/17/340357217.db2.gz BDLGFNAGLURIRR-DSKINZAPSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(C)cc1 ZINC000512326903 340357218 /nfs/dbraw/zinc/35/72/18/340357218.db2.gz BDLGFNAGLURIRR-DSKINZAPSA-N 1 3 314.517 4.689 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000512330469 340357384 /nfs/dbraw/zinc/35/73/84/340357384.db2.gz DSBFOJPYXDMQFU-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330469 340357385 /nfs/dbraw/zinc/35/73/85/340357385.db2.gz DSBFOJPYXDMQFU-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000512330469 340357386 /nfs/dbraw/zinc/35/73/86/340357386.db2.gz DSBFOJPYXDMQFU-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000512330512 340357434 /nfs/dbraw/zinc/35/74/34/340357434.db2.gz FDKUFTHQBMXXSY-NSHGMRRFSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330512 340357435 /nfs/dbraw/zinc/35/74/35/340357435.db2.gz FDKUFTHQBMXXSY-NSHGMRRFSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1C ZINC000512330512 340357436 /nfs/dbraw/zinc/35/74/36/340357436.db2.gz FDKUFTHQBMXXSY-NSHGMRRFSA-N 1 3 314.517 4.607 20 0 DJADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C(C)C)cc2)c1 ZINC000513105548 340393549 /nfs/dbraw/zinc/39/35/49/340393549.db2.gz YJBPYVDRJZVOKO-UHFFFAOYSA-N 1 3 324.512 4.942 20 0 DJADHO Cc1ccccc1CNCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000520951821 340477550 /nfs/dbraw/zinc/47/75/50/340477550.db2.gz NSFVBKGMDBSDFV-UHFFFAOYSA-N 1 3 322.496 4.517 20 0 DJADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C2CC2)c1 ZINC000550678725 341321203 /nfs/dbraw/zinc/32/12/03/341321203.db2.gz QGCVHXWNPUTFMD-MRXNPFEDSA-N 1 3 312.501 4.622 20 0 DJADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)c1cccc2ccccc21 ZINC000171126751 332854064 /nfs/dbraw/zinc/85/40/64/332854064.db2.gz KFYXTVTUZAGFKV-KRWDZBQOSA-N 1 3 318.464 4.752 20 0 DJADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000518274451 332004356 /nfs/dbraw/zinc/00/43/56/332004356.db2.gz GRBNDTYAWRHLDQ-FQEVSTJZSA-N 1 3 322.496 4.564 20 0 DJADHO Cc1ccccc1[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000409658594 332044289 /nfs/dbraw/zinc/04/42/89/332044289.db2.gz UNXWQZAWFMYKLA-IBGZPJMESA-N 1 3 322.496 4.832 20 0 DJADHO C[C@@H](c1cccc2ccccc21)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531101565 332261815 /nfs/dbraw/zinc/26/18/15/332261815.db2.gz MYNYDJJSNOQOGC-HKUYNNGSSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@@H](c1cccc2ccccc21)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101565 332261817 /nfs/dbraw/zinc/26/18/17/332261817.db2.gz MYNYDJJSNOQOGC-HKUYNNGSSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000531101565 332261819 /nfs/dbraw/zinc/26/18/19/332261819.db2.gz MYNYDJJSNOQOGC-HKUYNNGSSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000531101565 332261821 /nfs/dbraw/zinc/26/18/21/332261821.db2.gz MYNYDJJSNOQOGC-HKUYNNGSSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@H](NC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000051694225 332657637 /nfs/dbraw/zinc/65/76/37/332657637.db2.gz ISWFIXYRGYUIPX-IDKOKCKLSA-N 1 3 321.679 4.567 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH+](CC)CC)cc1)c1cccs1 ZINC000314126052 333087925 /nfs/dbraw/zinc/08/79/25/333087925.db2.gz PZKZCJXDYNDOFQ-GOSISDBHSA-N 1 3 316.514 4.831 20 0 DJADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1F ZINC000537938944 333337674 /nfs/dbraw/zinc/33/76/74/333337674.db2.gz XQQZBDKCWCHNOZ-WWDZGPRUSA-N 1 3 318.480 4.519 20 0 DJADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000020559191 333373019 /nfs/dbraw/zinc/37/30/19/333373019.db2.gz QMYSMMJVWMJMND-UHFFFAOYSA-N 1 3 322.905 4.533 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1 ZINC000320081273 333423875 /nfs/dbraw/zinc/42/38/75/333423875.db2.gz WATVWTLHNRBZQK-INIZCTEOSA-N 1 3 314.448 4.518 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1 ZINC000391965557 335140735 /nfs/dbraw/zinc/14/07/35/335140735.db2.gz FQSYLRBLLSBHAY-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000187729135 334270066 /nfs/dbraw/zinc/27/00/66/334270066.db2.gz NBBRRXRVDYEGCN-HNNXBMFYSA-N 1 3 324.493 4.814 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2sccc2C)cc1 ZINC000112223624 334372747 /nfs/dbraw/zinc/37/27/47/334372747.db2.gz HTICJRATFRLZRF-INIZCTEOSA-N 1 3 316.514 4.749 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(C)c(C)cc1C ZINC000324617411 336234216 /nfs/dbraw/zinc/23/42/16/336234216.db2.gz MTMNKGOPENRIPS-UHFFFAOYSA-N 1 3 324.512 4.743 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H](c1ccccc1)C1CC1 ZINC000324650703 336239850 /nfs/dbraw/zinc/23/98/50/336239850.db2.gz BHOZBNGLFWMOIT-JOCHJYFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cc1 ZINC000325224056 336281670 /nfs/dbraw/zinc/28/16/70/336281670.db2.gz ALSSUZVXYRDZGX-JOCHJYFZSA-N 1 3 322.496 4.614 20 0 DJADHO CCc1c2ccccc2oc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290478 337709885 /nfs/dbraw/zinc/70/98/85/337709885.db2.gz DDHOICKVRQDUJK-HUUCEWRRSA-N 1 3 322.452 4.866 20 0 DJADHO CCSc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291507 337710127 /nfs/dbraw/zinc/71/01/27/337710127.db2.gz IQOVCEMFDRBZEH-LSDHHAIUSA-N 1 3 314.498 4.669 20 0 DJADHO Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423508496 337723928 /nfs/dbraw/zinc/72/39/28/337723928.db2.gz QWPPMOKMTAXILU-LSTHTHJFSA-N 1 3 308.469 4.613 20 0 DJADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000470721118 339326089 /nfs/dbraw/zinc/32/60/89/339326089.db2.gz BCRVVNDFLCZCOF-UHFFFAOYSA-N 1 3 324.459 4.568 20 0 DJADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000470721118 339326090 /nfs/dbraw/zinc/32/60/90/339326090.db2.gz BCRVVNDFLCZCOF-UHFFFAOYSA-N 1 3 324.459 4.568 20 0 DJADHO CCc1ccc([C@H](CC)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000480164444 339561369 /nfs/dbraw/zinc/56/13/69/339561369.db2.gz LVMXTUXWNHEVME-NRFANRHFSA-N 1 3 310.485 4.552 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3ccc(C)cc32)c1 ZINC000481325078 339601334 /nfs/dbraw/zinc/60/13/34/339601334.db2.gz SMWVARKUEXHJIU-QFIPXVFZSA-N 1 3 322.496 4.614 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000512314234 340356559 /nfs/dbraw/zinc/35/65/59/340356559.db2.gz NPPUMGSCUIHVEI-SQGPQFPESA-N 1 3 314.517 4.553 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512320451 340356957 /nfs/dbraw/zinc/35/69/57/340356957.db2.gz BIKPSFRUNJAQJP-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320451 340356958 /nfs/dbraw/zinc/35/69/58/340356958.db2.gz BIKPSFRUNJAQJP-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000512320451 340356959 /nfs/dbraw/zinc/35/69/59/340356959.db2.gz BIKPSFRUNJAQJP-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000512330468 340357441 /nfs/dbraw/zinc/35/74/41/340357441.db2.gz DSBFOJPYXDMQFU-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330468 340357442 /nfs/dbraw/zinc/35/74/42/340357442.db2.gz DSBFOJPYXDMQFU-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000512330468 340357443 /nfs/dbraw/zinc/35/74/43/340357443.db2.gz DSBFOJPYXDMQFU-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H](C)c3ccccc32)cc1 ZINC000326557374 340715510 /nfs/dbraw/zinc/71/55/10/340715510.db2.gz QLMHCOINMHOTOW-HTAPYJJXSA-N 1 3 322.496 4.867 20 0 DJADHO CC(C)[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000539164467 340875436 /nfs/dbraw/zinc/87/54/36/340875436.db2.gz RCPYCJUZNBARDP-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC(C)(C)N1CCC([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000551816830 341352937 /nfs/dbraw/zinc/35/29/37/341352937.db2.gz LVNSIXOVORNMPT-UHFFFAOYSA-N 1 3 320.908 4.572 20 0 DJADHO Cc1cccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000518272198 332003924 /nfs/dbraw/zinc/00/39/24/332003924.db2.gz VQHBELOXKLCAPJ-UHFFFAOYSA-N 1 3 322.496 4.579 20 0 DJADHO C/C(=C\c1ccccc1)CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000520949015 332119190 /nfs/dbraw/zinc/11/91/90/332119190.db2.gz OJTGGBRPAVDDRE-XMHGGMMESA-N 1 3 322.496 4.720 20 0 DJADHO C/C(=C\c1ccccc1)CNCc1ccccc1C[N@H+](C)C(C)C ZINC000520949015 332119191 /nfs/dbraw/zinc/11/91/91/332119191.db2.gz OJTGGBRPAVDDRE-XMHGGMMESA-N 1 3 322.496 4.720 20 0 DJADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000537971602 332251881 /nfs/dbraw/zinc/25/18/81/332251881.db2.gz YDJVLGIBBAJMRI-GOSISDBHSA-N 1 3 310.485 4.686 20 0 DJADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000537971602 332251883 /nfs/dbraw/zinc/25/18/83/332251883.db2.gz YDJVLGIBBAJMRI-GOSISDBHSA-N 1 3 310.485 4.686 20 0 DJADHO Cc1ccc([C@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000537971603 332251891 /nfs/dbraw/zinc/25/18/91/332251891.db2.gz YDJVLGIBBAJMRI-SFHVURJKSA-N 1 3 310.485 4.686 20 0 DJADHO Cc1ccc([C@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000537971603 332251893 /nfs/dbraw/zinc/25/18/93/332251893.db2.gz YDJVLGIBBAJMRI-SFHVURJKSA-N 1 3 310.485 4.686 20 0 DJADHO C[C@@H](NC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000051694227 332657641 /nfs/dbraw/zinc/65/76/41/332657641.db2.gz ISWFIXYRGYUIPX-XNWIYYODSA-N 1 3 321.679 4.567 20 0 DJADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000518765562 333029002 /nfs/dbraw/zinc/02/90/02/333029002.db2.gz MJTWVQRQAHIDGU-UHFFFAOYSA-N 1 3 322.496 4.517 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(F)c2)cc1 ZINC000320726270 335132726 /nfs/dbraw/zinc/13/27/26/335132726.db2.gz WRDRRABCWORESA-INIZCTEOSA-N 1 3 314.448 4.518 20 0 DJADHO CC[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(C)c1 ZINC000514090700 333316205 /nfs/dbraw/zinc/31/62/05/333316205.db2.gz WFMJIFQGNOBRFJ-JOCHJYFZSA-N 1 3 322.496 4.832 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(C)c2)cc1 ZINC000319801368 333407979 /nfs/dbraw/zinc/40/79/79/333407979.db2.gz HKYCYGUYCJETIK-GOSISDBHSA-N 1 3 310.485 4.688 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000583646837 336018936 /nfs/dbraw/zinc/01/89/36/336018936.db2.gz OBEPDCVAUFKSEE-WIYYLYMNSA-N 1 3 322.496 4.577 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000583646837 336018938 /nfs/dbraw/zinc/01/89/38/336018938.db2.gz OBEPDCVAUFKSEE-WIYYLYMNSA-N 1 3 322.496 4.577 20 0 DJADHO CC[C@@H](NCc1ccccc1C[N@H+](C)C(C)C)c1ccccc1 ZINC000353045317 336390438 /nfs/dbraw/zinc/39/04/38/336390438.db2.gz GWMZQTMVELYJLZ-OAQYLSRUSA-N 1 3 310.485 4.768 20 0 DJADHO CC[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1 ZINC000353045317 336390439 /nfs/dbraw/zinc/39/04/39/336390439.db2.gz GWMZQTMVELYJLZ-OAQYLSRUSA-N 1 3 310.485 4.768 20 0 DJADHO CC(C)CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccoc1 ZINC000423292405 337710353 /nfs/dbraw/zinc/71/03/53/337710353.db2.gz MWIPYJIOLNWCCM-KXBFYZLASA-N 1 3 300.446 4.566 20 0 DJADHO Cc1cc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc(C)c1F ZINC000423507831 337723757 /nfs/dbraw/zinc/72/37/57/337723757.db2.gz QMSOMZDPWMFBCC-VQIMIIECSA-N 1 3 314.448 4.573 20 0 DJADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc2ccccc2o1 ZINC000423509994 337723978 /nfs/dbraw/zinc/72/39/78/337723978.db2.gz RUPCYKTUXMZLJA-MAUKXSAKSA-N 1 3 308.425 4.564 20 0 DJADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423510868 337723990 /nfs/dbraw/zinc/72/39/90/337723990.db2.gz SOLORLNQFBBAMN-RTBURBONSA-N 1 3 316.876 4.861 20 0 DJADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc2ccccc2o1 ZINC000423509981 337724027 /nfs/dbraw/zinc/72/40/27/337724027.db2.gz RUPCYKTUXMZLJA-CRAIPNDOSA-N 1 3 308.425 4.564 20 0 DJADHO CSc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423519046 337724329 /nfs/dbraw/zinc/72/43/29/337724329.db2.gz ZSWAXRZANCYEHT-BEFAXECRSA-N 1 3 314.498 4.539 20 0 DJADHO C[C@@H]1CC[C@@H](NCc2ccc(C[NH+](C)C)cc2)c2sccc21 ZINC000453080445 338791384 /nfs/dbraw/zinc/79/13/84/338791384.db2.gz JQRMDCPAUIBWJE-RDTXWAMCSA-N 1 3 314.498 4.538 20 0 DJADHO CCCCC/C(=C/c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462762171 339087419 /nfs/dbraw/zinc/08/74/19/339087419.db2.gz PLMVDXGRUKSOEM-PAUGXMEZSA-N 1 3 314.517 4.723 20 0 DJADHO CCCCC/C(=C/c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462762171 339087420 /nfs/dbraw/zinc/08/74/20/339087420.db2.gz PLMVDXGRUKSOEM-PAUGXMEZSA-N 1 3 314.517 4.723 20 0 DJADHO CC[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000462764833 339087459 /nfs/dbraw/zinc/08/74/59/339087459.db2.gz HDBWPXXQYVETML-FUHWJXTLSA-N 1 3 320.546 4.519 20 0 DJADHO CCC1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000462770280 339087800 /nfs/dbraw/zinc/08/78/00/339087800.db2.gz XTAJYAMZDZZHFH-UHFFFAOYSA-N 1 3 320.546 4.519 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000472142248 339364177 /nfs/dbraw/zinc/36/41/77/339364177.db2.gz MMLYJYOVHQWNMB-OAQYLSRUSA-N 1 3 322.496 4.532 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000472142248 339364178 /nfs/dbraw/zinc/36/41/78/339364178.db2.gz MMLYJYOVHQWNMB-OAQYLSRUSA-N 1 3 322.496 4.532 20 0 DJADHO Cc1ccccc1[C@@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000480050233 339556662 /nfs/dbraw/zinc/55/66/62/339556662.db2.gz UPIDFQQDQATWFA-LJQANCHMSA-N 1 3 322.496 4.832 20 0 DJADHO Cc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000480158452 339560955 /nfs/dbraw/zinc/56/09/55/339560955.db2.gz JJLNUPPHPGNVPY-LJQANCHMSA-N 1 3 322.496 4.750 20 0 DJADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000504900272 340155361 /nfs/dbraw/zinc/15/53/61/340155361.db2.gz UYYFFDYIXJAJTR-OXJNMPFZSA-N 1 3 312.501 4.540 20 0 DJADHO CC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000303556515 340333483 /nfs/dbraw/zinc/33/34/83/340333483.db2.gz WJCOVHWZXJDMKS-QFIPXVFZSA-N 1 3 322.496 4.913 20 0 DJADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1 ZINC000512326306 340357303 /nfs/dbraw/zinc/35/73/03/340357303.db2.gz ZWDJAEFRBOHJIB-VPWXQRGCSA-N 1 3 318.480 4.519 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000326551610 340715268 /nfs/dbraw/zinc/71/52/68/340715268.db2.gz OJOGKYLFPVSOHF-JTSKRJEESA-N 1 3 322.496 4.867 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000326551607 340715390 /nfs/dbraw/zinc/71/53/90/340715390.db2.gz OJOGKYLFPVSOHF-HTAPYJJXSA-N 1 3 322.496 4.867 20 0 DJADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000123712809 340793749 /nfs/dbraw/zinc/79/37/49/340793749.db2.gz ZEYBQAYIEIDFDY-HNNXBMFYSA-N 1 3 322.905 4.704 20 0 DJADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000564258580 341019117 /nfs/dbraw/zinc/01/91/17/341019117.db2.gz WBOJJLIQXJCODM-LJQANCHMSA-N 1 3 322.496 4.769 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(F)c1 ZINC000079122123 341253893 /nfs/dbraw/zinc/25/38/93/341253893.db2.gz RMYCVJDLAWFVTC-INIZCTEOSA-N 1 3 314.448 4.518 20 0 DJADHO CC(C)(C)[C@@H](NCc1ccc(C[NH3+])cc1)c1cc2ccccc2o1 ZINC000577492553 341912576 /nfs/dbraw/zinc/91/25/76/341912576.db2.gz DSNDEWCUYZQMRE-FQEVSTJZSA-N 1 3 322.452 4.769 20 0 DJADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000560841813 332389698 /nfs/dbraw/zinc/38/96/98/332389698.db2.gz XRYMSVTXVPMEDV-SFHVURJKSA-N 1 3 308.469 4.523 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(C)s2)cc1 ZINC000314038348 333083451 /nfs/dbraw/zinc/08/34/51/333083451.db2.gz DJPJNRZZJFPHFL-INIZCTEOSA-N 1 3 316.514 4.749 20 0 DJADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1F ZINC000537938943 333337663 /nfs/dbraw/zinc/33/76/63/333337663.db2.gz XQQZBDKCWCHNOZ-AOCRQIFASA-N 1 3 318.480 4.519 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH+](CC)CC)cc1)c1ccccc1 ZINC000320149610 333430277 /nfs/dbraw/zinc/43/02/77/333430277.db2.gz JBNIAFNFOVDHKU-OAQYLSRUSA-N 1 3 310.485 4.769 20 0 DJADHO CC[C@H](NCc1ccc(C[NH+](CC)CC)cc1)c1ccccc1 ZINC000320149606 333430326 /nfs/dbraw/zinc/43/03/26/333430326.db2.gz JBNIAFNFOVDHKU-NRFANRHFSA-N 1 3 310.485 4.769 20 0 DJADHO Cc1cccc([C@H](C)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000531967520 334326159 /nfs/dbraw/zinc/32/61/59/334326159.db2.gz UDNULYBRZXOZRA-OALUTQOASA-N 1 3 322.496 4.871 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCc2ccccc21 ZINC000324173721 336102454 /nfs/dbraw/zinc/10/24/54/336102454.db2.gz OUPPBLLRHNLFDW-JOCHJYFZSA-N 1 3 322.496 4.696 20 0 DJADHO C[C@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000563999529 336394976 /nfs/dbraw/zinc/39/49/76/336394976.db2.gz YAGITCSEBWTXDR-JTSKRJEESA-N 1 3 320.480 4.621 20 0 DJADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000423293443 337710575 /nfs/dbraw/zinc/71/05/75/337710575.db2.gz RIQDXCXBQNXROU-NEPJUHHUSA-N 1 3 323.267 4.864 20 0 DJADHO C[C@@H]([NH3+])c1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000423295400 337710722 /nfs/dbraw/zinc/71/07/22/337710722.db2.gz WXQAGCITQNTDIU-IIBYNOLFSA-N 1 3 308.469 4.727 20 0 DJADHO Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CNC3)C2CCCC2)cc1 ZINC000423396085 337718701 /nfs/dbraw/zinc/71/87/01/337718701.db2.gz SDMROVVVVNOKEC-JOCHJYFZSA-N 1 3 320.480 4.619 20 0 DJADHO CC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000423497067 337723004 /nfs/dbraw/zinc/72/30/04/337723004.db2.gz FYBOAYHTPWTPFK-LSDHHAIUSA-N 1 3 322.905 4.922 20 0 DJADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc2ccccc2o1 ZINC000423509995 337724013 /nfs/dbraw/zinc/72/40/13/337724013.db2.gz RUPCYKTUXMZLJA-QAPCUYQASA-N 1 3 308.425 4.564 20 0 DJADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000423514792 337724214 /nfs/dbraw/zinc/72/42/14/337724214.db2.gz WPPOGDIIBZBQGP-TZMCWYRMSA-N 1 3 308.878 4.532 20 0 DJADHO CCCCC/C(=C\c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462762168 339087463 /nfs/dbraw/zinc/08/74/63/339087463.db2.gz PLMVDXGRUKSOEM-APIVKLOHSA-N 1 3 314.517 4.723 20 0 DJADHO CCCCC/C(=C\c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462762168 339087464 /nfs/dbraw/zinc/08/74/64/339087464.db2.gz PLMVDXGRUKSOEM-APIVKLOHSA-N 1 3 314.517 4.723 20 0 DJADHO CCc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000480172340 339561880 /nfs/dbraw/zinc/56/18/80/339561880.db2.gz SQXBNDGHJBLWHQ-GOSISDBHSA-N 1 3 322.496 4.696 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2sccc2C)c1 ZINC000481316173 339600867 /nfs/dbraw/zinc/60/08/67/339600867.db2.gz CSCWKXHJPSVMFB-INIZCTEOSA-N 1 3 316.514 4.749 20 0 DJADHO CCc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000512316179 340356562 /nfs/dbraw/zinc/35/65/62/340356562.db2.gz WZMUMKGOVFYJJM-JYJNAYRXSA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316179 340356563 /nfs/dbraw/zinc/35/65/63/340356563.db2.gz WZMUMKGOVFYJJM-JYJNAYRXSA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)s1 ZINC000512316179 340356564 /nfs/dbraw/zinc/35/65/64/340356564.db2.gz WZMUMKGOVFYJJM-JYJNAYRXSA-N 1 3 320.546 4.614 20 0 DJADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)s1 ZINC000512317716 340356796 /nfs/dbraw/zinc/35/67/96/340356796.db2.gz FRPDMRJUWRIXGV-YQQAZPJKSA-N 1 3 320.546 4.669 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512331823 340357412 /nfs/dbraw/zinc/35/74/12/340357412.db2.gz LCGFSGDNTVDRAV-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331823 340357413 /nfs/dbraw/zinc/35/74/13/340357413.db2.gz LCGFSGDNTVDRAV-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000512331823 340357414 /nfs/dbraw/zinc/35/74/14/340357414.db2.gz LCGFSGDNTVDRAV-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000512338582 340357965 /nfs/dbraw/zinc/35/79/65/340357965.db2.gz ZEYNKIRVFNFOFT-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338582 340357966 /nfs/dbraw/zinc/35/79/66/340357966.db2.gz ZEYNKIRVFNFOFT-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1C ZINC000512338582 340357967 /nfs/dbraw/zinc/35/79/67/340357967.db2.gz ZEYNKIRVFNFOFT-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C)c(C)cc2C)c1 ZINC000513110387 340393650 /nfs/dbraw/zinc/39/36/50/340393650.db2.gz NXWCVEWWSOMPHA-UHFFFAOYSA-N 1 3 324.512 4.743 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2c1cccc2C ZINC000480445110 517638832 /nfs/dbraw/zinc/63/88/32/517638832.db2.gz YTWIRMSYKBXSLT-JOCHJYFZSA-N 1 3 322.496 4.614 20 0 DJADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000560841812 332389581 /nfs/dbraw/zinc/38/95/81/332389581.db2.gz XRYMSVTXVPMEDV-GOSISDBHSA-N 1 3 308.469 4.523 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(C)c2)c1 ZINC000525760997 333240694 /nfs/dbraw/zinc/24/06/94/333240694.db2.gz IWKIUSMHCDGBES-GOSISDBHSA-N 1 3 310.485 4.688 20 0 DJADHO CC[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(C)c1 ZINC000514090702 333316073 /nfs/dbraw/zinc/31/60/73/333316073.db2.gz WFMJIFQGNOBRFJ-QFIPXVFZSA-N 1 3 322.496 4.832 20 0 DJADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(Cl)cc1Cl ZINC000021051866 333413422 /nfs/dbraw/zinc/41/34/22/333413422.db2.gz ZUOZXWOPKNIXJN-CYBMUJFWSA-N 1 3 317.304 4.594 20 0 DJADHO CC(C)(C)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415058138 334262131 /nfs/dbraw/zinc/26/21/31/334262131.db2.gz SPYXMVVLSAGCEX-QGZVFWFLSA-N 1 3 316.514 4.615 20 0 DJADHO [NH3+]CCC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000415061862 334262331 /nfs/dbraw/zinc/26/23/31/334262331.db2.gz YXAACICFYUSWPC-QGZVFWFLSA-N 1 3 323.267 4.563 20 0 DJADHO Cc1cc2cc(CN[C@@H](CCC[NH3+])c3ccccc3)oc2cc1C ZINC000415062132 334262375 /nfs/dbraw/zinc/26/23/75/334262375.db2.gz ZTPKXMIXONUBRJ-FQEVSTJZSA-N 1 3 322.452 4.619 20 0 DJADHO Cc1cc([C@H](C)N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C)s1 ZINC000415117616 334283812 /nfs/dbraw/zinc/28/38/12/334283812.db2.gz ITURBYWVZVOWAC-YJLNNSPDSA-N 1 3 314.498 4.509 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1sccc1C ZINC000112223621 334372722 /nfs/dbraw/zinc/37/27/22/334372722.db2.gz JNMBFIRSOMCTNQ-MRXNPFEDSA-N 1 3 316.514 4.749 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2sccc2C)cc1 ZINC000112223625 334372726 /nfs/dbraw/zinc/37/27/26/334372726.db2.gz HTICJRATFRLZRF-MRXNPFEDSA-N 1 3 316.514 4.749 20 0 DJADHO Cc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000162898066 338469638 /nfs/dbraw/zinc/46/96/38/338469638.db2.gz PFTXMOMPRZAVMC-INIZCTEOSA-N 1 3 314.498 4.503 20 0 DJADHO CC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000532200075 335914869 /nfs/dbraw/zinc/91/48/69/335914869.db2.gz FQBFNESTNJLORV-IBGZPJMESA-N 1 3 316.876 4.643 20 0 DJADHO Cc1cc2cc([C@H](C)NCc3ccc([C@H](C)[NH3+])cc3)oc2cc1C ZINC000423292003 337710160 /nfs/dbraw/zinc/71/01/60/337710160.db2.gz KXKQXXLLTOPMAA-HOTGVXAUSA-N 1 3 322.452 4.920 20 0 DJADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc(Cl)cc(Cl)c1 ZINC000423293203 337710452 /nfs/dbraw/zinc/71/04/52/337710452.db2.gz QGPNAMJMYZQCAX-NWDGAFQWSA-N 1 3 323.267 4.864 20 0 DJADHO CCC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000423359419 337714318 /nfs/dbraw/zinc/71/43/18/337714318.db2.gz PFCVRMNILQHUIT-IBGZPJMESA-N 1 3 314.860 4.574 20 0 DJADHO CSc1ccccc1[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423501373 337723428 /nfs/dbraw/zinc/72/34/28/337723428.db2.gz CRSICWQCZFSENK-CRAIPNDOSA-N 1 3 314.498 4.539 20 0 DJADHO Cc1cc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc(C)c1F ZINC000423507827 337723584 /nfs/dbraw/zinc/72/35/84/337723584.db2.gz QMSOMZDPWMFBCC-APWZRJJASA-N 1 3 314.448 4.573 20 0 DJADHO Cc1c2ccccc2oc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423507679 337723613 /nfs/dbraw/zinc/72/36/13/337723613.db2.gz QBNZACIVYQFCAS-LPHOPBHVSA-N 1 3 322.452 4.872 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000537013739 337865154 /nfs/dbraw/zinc/86/51/54/337865154.db2.gz PYNBMJBQGXLFOD-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO C[C@@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000467417910 339237549 /nfs/dbraw/zinc/23/75/49/339237549.db2.gz MEHLONYNRWNDPJ-SFHVURJKSA-N 1 3 314.517 4.567 20 0 DJADHO C[C@@H](CCNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000467417910 339237550 /nfs/dbraw/zinc/23/75/50/339237550.db2.gz MEHLONYNRWNDPJ-SFHVURJKSA-N 1 3 314.517 4.567 20 0 DJADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1csc(Cl)c1 ZINC000469094400 339280080 /nfs/dbraw/zinc/28/00/80/339280080.db2.gz WYAIHEAPLGOEKT-AWEZNQCLSA-N 1 3 314.926 4.564 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000472129822 339363837 /nfs/dbraw/zinc/36/38/37/339363837.db2.gz GUOXKMWKADANGT-OAQYLSRUSA-N 1 3 322.496 4.532 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1cccc(CN(C)C)c1 ZINC000472129822 339363838 /nfs/dbraw/zinc/36/38/38/339363838.db2.gz GUOXKMWKADANGT-OAQYLSRUSA-N 1 3 322.496 4.532 20 0 DJADHO CC[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C)cc1 ZINC000480246891 339565163 /nfs/dbraw/zinc/56/51/63/339565163.db2.gz AAFYBMSFDAXYMQ-JOCHJYFZSA-N 1 3 322.496 4.832 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000504927541 340156503 /nfs/dbraw/zinc/15/65/03/340156503.db2.gz QLNCCOCZDJZQQB-DYESRHJHSA-N 1 3 322.496 4.785 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000504927541 340156504 /nfs/dbraw/zinc/15/65/04/340156504.db2.gz QLNCCOCZDJZQQB-DYESRHJHSA-N 1 3 322.496 4.785 20 0 DJADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1 ZINC000512326304 340357321 /nfs/dbraw/zinc/35/73/21/340357321.db2.gz ZWDJAEFRBOHJIB-MDYRTPRTSA-N 1 3 318.480 4.519 20 0 DJADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(Cl)cc1 ZINC000512330383 340357493 /nfs/dbraw/zinc/35/74/93/340357493.db2.gz UDWYBDBWVKTXIC-YQQAZPJKSA-N 1 3 320.908 4.644 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000512330510 340357518 /nfs/dbraw/zinc/35/75/18/340357518.db2.gz FDKUFTHQBMXXSY-CMKODMSKSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330510 340357519 /nfs/dbraw/zinc/35/75/19/340357519.db2.gz FDKUFTHQBMXXSY-CMKODMSKSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1C ZINC000512330510 340357520 /nfs/dbraw/zinc/35/75/20/340357520.db2.gz FDKUFTHQBMXXSY-CMKODMSKSA-N 1 3 314.517 4.607 20 0 DJADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(F)c1 ZINC000173915331 340377671 /nfs/dbraw/zinc/37/76/71/340377671.db2.gz JMYZCQORIQESQV-INIZCTEOSA-N 1 3 314.448 4.517 20 0 DJADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(F)c1 ZINC000173915331 340377672 /nfs/dbraw/zinc/37/76/72/340377672.db2.gz JMYZCQORIQESQV-INIZCTEOSA-N 1 3 314.448 4.517 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(F)cc1 ZINC000072895518 341110155 /nfs/dbraw/zinc/11/01/55/341110155.db2.gz HERVJSFBWPBKSX-MRXNPFEDSA-N 1 3 314.448 4.518 20 0 DJADHO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000551063726 341330719 /nfs/dbraw/zinc/33/07/19/341330719.db2.gz ZMZFRSGZYKUJLX-OAHLLOKOSA-N 1 3 314.448 4.502 20 0 DJADHO CC(C)CN1CCC([NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000518269709 332003470 /nfs/dbraw/zinc/00/34/70/332003470.db2.gz KZEUTYUUMVELQX-UHFFFAOYSA-N 1 3 322.496 4.564 20 0 DJADHO Cc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000520954334 332253177 /nfs/dbraw/zinc/25/31/77/332253177.db2.gz UITBGGZIGDBKMP-UHFFFAOYSA-N 1 3 322.496 4.579 20 0 DJADHO C[C@@H](c1cccc2ccccc21)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531101570 332261895 /nfs/dbraw/zinc/26/18/95/332261895.db2.gz MYNYDJJSNOQOGC-PKOBYXMFSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@@H](c1cccc2ccccc21)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101570 332261896 /nfs/dbraw/zinc/26/18/96/332261896.db2.gz MYNYDJJSNOQOGC-PKOBYXMFSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000531101570 332261897 /nfs/dbraw/zinc/26/18/97/332261897.db2.gz MYNYDJJSNOQOGC-PKOBYXMFSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000531101570 332261898 /nfs/dbraw/zinc/26/18/98/332261898.db2.gz MYNYDJJSNOQOGC-PKOBYXMFSA-N 1 3 322.496 4.565 20 0 DJADHO CC[C@@H](c1ccc(Cl)cc1)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000560336581 332331722 /nfs/dbraw/zinc/33/17/22/332331722.db2.gz ZVCJTESLOIWHRW-IBGZPJMESA-N 1 3 322.924 4.843 20 0 DJADHO CC[C@@H](c1ccc(Cl)cc1)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336581 332331724 /nfs/dbraw/zinc/33/17/24/332331724.db2.gz ZVCJTESLOIWHRW-IBGZPJMESA-N 1 3 322.924 4.843 20 0 DJADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cc2ccccc2s1 ZINC000170961415 333236110 /nfs/dbraw/zinc/23/61/10/333236110.db2.gz BNABPYLCXPGPLK-HNNXBMFYSA-N 1 3 324.493 4.814 20 0 DJADHO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cccs1 ZINC000411538021 333690256 /nfs/dbraw/zinc/69/02/56/333690256.db2.gz SUIHUPZZOPSJGX-INIZCTEOSA-N 1 3 314.498 4.585 20 0 DJADHO CC(C)(C)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415058137 334261800 /nfs/dbraw/zinc/26/18/00/334261800.db2.gz SPYXMVVLSAGCEX-KRWDZBQOSA-N 1 3 316.514 4.615 20 0 DJADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980944 334352835 /nfs/dbraw/zinc/35/28/35/334352835.db2.gz QGTODUQSSSVRRC-RVKKMQEKSA-N 1 3 314.498 4.548 20 0 DJADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980944 334352837 /nfs/dbraw/zinc/35/28/37/334352837.db2.gz QGTODUQSSSVRRC-RVKKMQEKSA-N 1 3 314.498 4.548 20 0 DJADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980943 334353001 /nfs/dbraw/zinc/35/30/01/334353001.db2.gz QGTODUQSSSVRRC-RLFYNMQTSA-N 1 3 314.498 4.548 20 0 DJADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980943 334353002 /nfs/dbraw/zinc/35/30/02/334353002.db2.gz QGTODUQSSSVRRC-RLFYNMQTSA-N 1 3 314.498 4.548 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000583646834 336018971 /nfs/dbraw/zinc/01/89/71/336018971.db2.gz OBEPDCVAUFKSEE-GHTZIAJQSA-N 1 3 322.496 4.577 20 0 DJADHO Cc1ccccc1-c1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000583646834 336018973 /nfs/dbraw/zinc/01/89/73/336018973.db2.gz OBEPDCVAUFKSEE-GHTZIAJQSA-N 1 3 322.496 4.577 20 0 DJADHO CCSc1ccccc1[C@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000532451690 336249947 /nfs/dbraw/zinc/24/99/47/336249947.db2.gz MEBUMYKAAPNLJS-INIZCTEOSA-N 1 3 320.546 4.570 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000325260074 336281972 /nfs/dbraw/zinc/28/19/72/336281972.db2.gz NOWBCDLYTUOWQZ-JOCHJYFZSA-N 1 3 322.496 4.614 20 0 DJADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc2ccccc2s1 ZINC000423291341 337709876 /nfs/dbraw/zinc/70/98/76/337709876.db2.gz HWTPLJQVSMZNLC-UONOGXRCSA-N 1 3 310.466 4.772 20 0 DJADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423292555 337710337 /nfs/dbraw/zinc/71/03/37/337710337.db2.gz NIBXEOCKZACXCR-STQMWFEESA-N 1 3 322.374 4.576 20 0 DJADHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)s1 ZINC000423296566 337710899 /nfs/dbraw/zinc/71/08/99/337710899.db2.gz ZKSVTQSIPLXQPR-BXUZGUMPSA-N 1 3 308.878 4.662 20 0 DJADHO CC(C)C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccs1 ZINC000423296563 337710966 /nfs/dbraw/zinc/71/09/66/337710966.db2.gz ZKPOFZDRNJROTK-WMLDXEAASA-N 1 3 302.487 4.645 20 0 DJADHO CSc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423519047 337724337 /nfs/dbraw/zinc/72/43/37/337724337.db2.gz ZSWAXRZANCYEHT-DNVCBOLYSA-N 1 3 314.498 4.539 20 0 DJADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1csc(Cl)c1 ZINC000423522650 337724469 /nfs/dbraw/zinc/72/44/69/337724469.db2.gz VDLBTHWNMYYOEY-IUODEOHRSA-N 1 3 308.878 4.532 20 0 DJADHO CCCCC/C(=C/c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462762170 339087504 /nfs/dbraw/zinc/08/75/04/339087504.db2.gz PLMVDXGRUKSOEM-KIWKJEFJSA-N 1 3 314.517 4.723 20 0 DJADHO CCCCC/C(=C/c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462762170 339087505 /nfs/dbraw/zinc/08/75/05/339087505.db2.gz PLMVDXGRUKSOEM-KIWKJEFJSA-N 1 3 314.517 4.723 20 0 DJADHO CCCCC/C(=C\c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462762169 339087523 /nfs/dbraw/zinc/08/75/23/339087523.db2.gz PLMVDXGRUKSOEM-GPLMZXIKSA-N 1 3 314.517 4.723 20 0 DJADHO CCCCC/C(=C\c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462762169 339087524 /nfs/dbraw/zinc/08/75/24/339087524.db2.gz PLMVDXGRUKSOEM-GPLMZXIKSA-N 1 3 314.517 4.723 20 0 DJADHO CCCC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000467830651 339247092 /nfs/dbraw/zinc/24/70/92/339247092.db2.gz CUMOIIRZVCDEKH-NRFANRHFSA-N 1 3 310.485 4.769 20 0 DJADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(Cl)c1 ZINC000467853649 339247614 /nfs/dbraw/zinc/24/76/14/339247614.db2.gz SKBSUIRUVRLQEV-YJBOKZPZSA-N 1 3 308.897 4.501 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000472129821 339363714 /nfs/dbraw/zinc/36/37/14/339363714.db2.gz GUOXKMWKADANGT-NRFANRHFSA-N 1 3 322.496 4.532 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1cccc(CN(C)C)c1 ZINC000472129821 339363715 /nfs/dbraw/zinc/36/37/15/339363715.db2.gz GUOXKMWKADANGT-NRFANRHFSA-N 1 3 322.496 4.532 20 0 DJADHO CCc1ccc([C@@H](CC)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000480164445 339561296 /nfs/dbraw/zinc/56/12/96/339561296.db2.gz LVMXTUXWNHEVME-OAQYLSRUSA-N 1 3 310.485 4.552 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000480455460 339573623 /nfs/dbraw/zinc/57/36/23/339573623.db2.gz UFFVGNQIQAKENF-VGSWGCGISA-N 1 3 322.496 4.552 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2sccc2C)c1 ZINC000481316176 339600815 /nfs/dbraw/zinc/60/08/15/339600815.db2.gz CSCWKXHJPSVMFB-MRXNPFEDSA-N 1 3 316.514 4.749 20 0 DJADHO CC[C@@H](NCc1cccc(C[NH+](CC)CC)c1)c1ccccc1 ZINC000495547937 339987154 /nfs/dbraw/zinc/98/71/54/339987154.db2.gz NYHFOMDTUBXPHS-OAQYLSRUSA-N 1 3 310.485 4.769 20 0 DJADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1cccc(Cl)c1 ZINC000512314121 340356524 /nfs/dbraw/zinc/35/65/24/340356524.db2.gz MKNUNNKMWLOWTQ-YQQAZPJKSA-N 1 3 320.908 4.644 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000512330511 340357353 /nfs/dbraw/zinc/35/73/53/340357353.db2.gz FDKUFTHQBMXXSY-NLWGTHIKSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330511 340357354 /nfs/dbraw/zinc/35/73/54/340357354.db2.gz FDKUFTHQBMXXSY-NLWGTHIKSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1C ZINC000512330511 340357355 /nfs/dbraw/zinc/35/73/55/340357355.db2.gz FDKUFTHQBMXXSY-NLWGTHIKSA-N 1 3 314.517 4.607 20 0 DJADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000556860207 331742850 /nfs/dbraw/zinc/74/28/50/331742850.db2.gz XJVWFACLXRJCTP-LMWSTFAQSA-N 1 3 315.288 4.517 20 0 DJADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000518267785 332003143 /nfs/dbraw/zinc/00/31/43/332003143.db2.gz TYFWXDZGJIHVRB-LJQANCHMSA-N 1 3 322.496 4.517 20 0 DJADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000518267785 332003146 /nfs/dbraw/zinc/00/31/46/332003146.db2.gz TYFWXDZGJIHVRB-LJQANCHMSA-N 1 3 322.496 4.517 20 0 DJADHO C[C@H](c1cccc2ccccc21)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531101569 332261770 /nfs/dbraw/zinc/26/17/70/332261770.db2.gz MYNYDJJSNOQOGC-MJGOQNOKSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@H](c1cccc2ccccc21)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101569 332261772 /nfs/dbraw/zinc/26/17/72/332261772.db2.gz MYNYDJJSNOQOGC-MJGOQNOKSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000531101569 332261774 /nfs/dbraw/zinc/26/17/74/332261774.db2.gz MYNYDJJSNOQOGC-MJGOQNOKSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000531101569 332261776 /nfs/dbraw/zinc/26/17/76/332261776.db2.gz MYNYDJJSNOQOGC-MJGOQNOKSA-N 1 3 322.496 4.565 20 0 DJADHO Cc1ccc([C@H]([NH2+]Cc2ccc(CN(C)C)cc2)C2CCC2)cc1 ZINC000427580089 332455442 /nfs/dbraw/zinc/45/54/42/332455442.db2.gz XGZJTRIUVXONSH-JOCHJYFZSA-N 1 3 322.496 4.688 20 0 DJADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(C)c2)c1 ZINC000525760998 333240711 /nfs/dbraw/zinc/24/07/11/333240711.db2.gz IWKIUSMHCDGBES-SFHVURJKSA-N 1 3 310.485 4.688 20 0 DJADHO CC(C)(C)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415066145 334262399 /nfs/dbraw/zinc/26/23/99/334262399.db2.gz NZECLDVXACCJBO-FQEVSTJZSA-N 1 3 310.485 4.554 20 0 DJADHO C[NH+](C)Cc1cccc(CN[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000344144659 335221696 /nfs/dbraw/zinc/22/16/96/335221696.db2.gz VNLLWTHRQGMHAG-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CN(C)Cc1cccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000344144659 335221698 /nfs/dbraw/zinc/22/16/98/335221698.db2.gz VNLLWTHRQGMHAG-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO Cc1ccsc1[C@@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162916974 338504775 /nfs/dbraw/zinc/50/47/75/338504775.db2.gz ITUHHLCFNNHRKZ-MRXNPFEDSA-N 1 3 314.498 4.503 20 0 DJADHO CC[C@H](NCc1ccccc1C[N@H+](C)C(C)C)c1ccccc1 ZINC000353045316 336390533 /nfs/dbraw/zinc/39/05/33/336390533.db2.gz GWMZQTMVELYJLZ-NRFANRHFSA-N 1 3 310.485 4.768 20 0 DJADHO CC[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1 ZINC000353045316 336390534 /nfs/dbraw/zinc/39/05/34/336390534.db2.gz GWMZQTMVELYJLZ-NRFANRHFSA-N 1 3 310.485 4.768 20 0 DJADHO C[C@H](NCCCC[NH+](C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000045664046 337826931 /nfs/dbraw/zinc/82/69/31/337826931.db2.gz VRYHSGLKAHTCEB-JTQLQIEISA-N 1 3 323.695 4.639 20 0 DJADHO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000462679213 339083851 /nfs/dbraw/zinc/08/38/51/339083851.db2.gz HKGDBDFSHLQNCD-UWJYYQICSA-N 1 3 322.496 4.693 20 0 DJADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1csc(Cl)c1 ZINC000469061789 339278953 /nfs/dbraw/zinc/27/89/53/339278953.db2.gz SHZDTTBPYLGXGZ-KGLIPLIRSA-N 1 3 314.926 4.564 20 0 DJADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1csc(Cl)c1 ZINC000469061789 339278954 /nfs/dbraw/zinc/27/89/54/339278954.db2.gz SHZDTTBPYLGXGZ-KGLIPLIRSA-N 1 3 314.926 4.564 20 0 DJADHO Cc1cc([C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)oc1C ZINC000502405488 340102027 /nfs/dbraw/zinc/10/20/27/340102027.db2.gz JFZXSUBQCXVUMH-IVMQYODDSA-N 1 3 318.505 4.590 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000504927543 340156438 /nfs/dbraw/zinc/15/64/38/340156438.db2.gz QLNCCOCZDJZQQB-UTKZUKDTSA-N 1 3 322.496 4.785 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000504927543 340156439 /nfs/dbraw/zinc/15/64/39/340156439.db2.gz QLNCCOCZDJZQQB-UTKZUKDTSA-N 1 3 322.496 4.785 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000303556514 340333478 /nfs/dbraw/zinc/33/34/78/340333478.db2.gz WJCOVHWZXJDMKS-JOCHJYFZSA-N 1 3 322.496 4.913 20 0 DJADHO CCc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000512316181 340356636 /nfs/dbraw/zinc/35/66/36/340356636.db2.gz WZMUMKGOVFYJJM-PMPSAXMXSA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316181 340356637 /nfs/dbraw/zinc/35/66/37/340356637.db2.gz WZMUMKGOVFYJJM-PMPSAXMXSA-N 1 3 320.546 4.614 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)s1 ZINC000512316181 340356638 /nfs/dbraw/zinc/35/66/38/340356638.db2.gz WZMUMKGOVFYJJM-PMPSAXMXSA-N 1 3 320.546 4.614 20 0 DJADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)c1cccc2ccccc21 ZINC000171126755 332854758 /nfs/dbraw/zinc/85/47/58/332854758.db2.gz KFYXTVTUZAGFKV-QGZVFWFLSA-N 1 3 318.464 4.752 20 0 DJADHO C[C@H](c1cccc2ccccc21)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531101567 332261747 /nfs/dbraw/zinc/26/17/47/332261747.db2.gz MYNYDJJSNOQOGC-IEBWSBKVSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@H](c1cccc2ccccc21)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101567 332261749 /nfs/dbraw/zinc/26/17/49/332261749.db2.gz MYNYDJJSNOQOGC-IEBWSBKVSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000531101567 332261750 /nfs/dbraw/zinc/26/17/50/332261750.db2.gz MYNYDJJSNOQOGC-IEBWSBKVSA-N 1 3 322.496 4.565 20 0 DJADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000531101567 332261752 /nfs/dbraw/zinc/26/17/52/332261752.db2.gz MYNYDJJSNOQOGC-IEBWSBKVSA-N 1 3 322.496 4.565 20 0 DJADHO CC[C@H](NCc1ccc(C[NH+](CC)CC)cc1)c1cccs1 ZINC000314126053 333087952 /nfs/dbraw/zinc/08/79/52/333087952.db2.gz PZKZCJXDYNDOFQ-SFHVURJKSA-N 1 3 316.514 4.831 20 0 DJADHO [NH3+]CCC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000415058622 334262114 /nfs/dbraw/zinc/26/21/14/334262114.db2.gz UGJPJRAREWARIX-KRWDZBQOSA-N 1 3 323.267 4.563 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCc2ccccc21 ZINC000324173724 336102408 /nfs/dbraw/zinc/10/24/08/336102408.db2.gz OUPPBLLRHNLFDW-QFIPXVFZSA-N 1 3 322.496 4.696 20 0 DJADHO CCCc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000532454341 336248259 /nfs/dbraw/zinc/24/82/59/336248259.db2.gz MSQHGLJYCQABLN-QGZVFWFLSA-N 1 3 310.485 4.552 20 0 DJADHO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccs1 ZINC000532457364 336248359 /nfs/dbraw/zinc/24/83/59/336248359.db2.gz KCSXXXVLUSFNSH-INIZCTEOSA-N 1 3 314.498 4.585 20 0 DJADHO C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000563999528 336394875 /nfs/dbraw/zinc/39/48/75/336394875.db2.gz YAGITCSEBWTXDR-HTAPYJJXSA-N 1 3 320.480 4.621 20 0 DJADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1cc(Cl)sc1Cl ZINC000421881581 337658665 /nfs/dbraw/zinc/65/86/65/337658665.db2.gz RHUXUPXLIMXDQI-KPPDAEKUSA-N 1 3 321.317 4.578 20 0 DJADHO CCc1c2ccccc2oc1[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423290477 337709895 /nfs/dbraw/zinc/70/98/95/337709895.db2.gz DDHOICKVRQDUJK-GJZGRUSLSA-N 1 3 322.452 4.866 20 0 DJADHO CC(C)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc2ccccc2o1 ZINC000423293197 337710565 /nfs/dbraw/zinc/71/05/65/337710565.db2.gz QGMZPRKSTNPXAJ-YCRPNKLZSA-N 1 3 322.452 4.939 20 0 DJADHO CC(C)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423295124 337710690 /nfs/dbraw/zinc/71/06/90/337710690.db2.gz WEFJXLPMRXCFRD-KUHUBIRLSA-N 1 3 316.876 4.847 20 0 DJADHO C[C@H]([NH3+])c1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000423295398 337710724 /nfs/dbraw/zinc/71/07/24/337710724.db2.gz WXQAGCITQNTDIU-HRAATJIYSA-N 1 3 308.469 4.727 20 0 DJADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](CCC[NH3+])c1ccccc1 ZINC000423508492 337723795 /nfs/dbraw/zinc/72/37/95/337723795.db2.gz QWPPMOKMTAXILU-AHRSYUTCSA-N 1 3 308.469 4.613 20 0 DJADHO CC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423510867 337723994 /nfs/dbraw/zinc/72/39/94/337723994.db2.gz SOLORLNQFBBAMN-RBUKOAKNSA-N 1 3 316.876 4.861 20 0 DJADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)s1 ZINC000423514450 337724271 /nfs/dbraw/zinc/72/42/71/337724271.db2.gz WPPOGDIIBZBQGP-JSGCOSHPSA-N 1 3 308.878 4.532 20 0 DJADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1csc(Cl)c1 ZINC000423522651 337724537 /nfs/dbraw/zinc/72/45/37/337724537.db2.gz VDLBTHWNMYYOEY-SWLSCSKDSA-N 1 3 308.878 4.532 20 0 DJADHO Cc1ccc2cc([C@H](C)N[C@H](CCC[NH3+])c3ccccc3)oc2c1 ZINC000423526586 337724566 /nfs/dbraw/zinc/72/45/66/337724566.db2.gz ZMZOEUVCZUNRPD-QFBILLFUSA-N 1 3 322.452 4.872 20 0 DJADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045990 339335742 /nfs/dbraw/zinc/33/57/42/339335742.db2.gz ALFZLVNVHAZXDF-MSOLQXFVSA-N 1 3 310.485 4.565 20 0 DJADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045990 339335743 /nfs/dbraw/zinc/33/57/43/339335743.db2.gz ALFZLVNVHAZXDF-MSOLQXFVSA-N 1 3 310.485 4.565 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000480455458 339573582 /nfs/dbraw/zinc/57/35/82/339573582.db2.gz UFFVGNQIQAKENF-JTSKRJEESA-N 1 3 322.496 4.552 20 0 DJADHO Cc1ccc2cc([C@H](C)NCc3ccc(C[NH+](C)C)cc3)oc2c1 ZINC000495258829 339979838 /nfs/dbraw/zinc/97/98/38/339979838.db2.gz GGYVPRCCGLIXCC-INIZCTEOSA-N 1 3 322.452 4.654 20 0 DJADHO Cc1cc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)oc1C ZINC000502405483 340102077 /nfs/dbraw/zinc/10/20/77/340102077.db2.gz JFZXSUBQCXVUMH-IPJUCJBFSA-N 1 3 318.505 4.590 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)c3c2cccc3C)c1 ZINC000504927544 340156524 /nfs/dbraw/zinc/15/65/24/340156524.db2.gz QLNCCOCZDJZQQB-UWJYYQICSA-N 1 3 322.496 4.785 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)c3c2cccc3C)c1 ZINC000504927544 340156525 /nfs/dbraw/zinc/15/65/25/340156525.db2.gz QLNCCOCZDJZQQB-UWJYYQICSA-N 1 3 322.496 4.785 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512320448 340356949 /nfs/dbraw/zinc/35/69/49/340356949.db2.gz BIKPSFRUNJAQJP-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320448 340356950 /nfs/dbraw/zinc/35/69/50/340356950.db2.gz BIKPSFRUNJAQJP-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000512320448 340356951 /nfs/dbraw/zinc/35/69/51/340356951.db2.gz BIKPSFRUNJAQJP-CEXWTWQISA-N 1 3 314.517 4.607 20 0 DJADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(Cl)cc1 ZINC000512330389 340357419 /nfs/dbraw/zinc/35/74/19/340357419.db2.gz UDWYBDBWVKTXIC-ZOBUZTSGSA-N 1 3 320.908 4.644 20 0 DJADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000518267782 332003276 /nfs/dbraw/zinc/00/32/76/332003276.db2.gz TYFWXDZGJIHVRB-IBGZPJMESA-N 1 3 322.496 4.517 20 0 DJADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000518267782 332003277 /nfs/dbraw/zinc/00/32/77/332003277.db2.gz TYFWXDZGJIHVRB-IBGZPJMESA-N 1 3 322.496 4.517 20 0 DJADHO CC(C)c1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000409673761 332046559 /nfs/dbraw/zinc/04/65/59/332046559.db2.gz VBAXLXHUCZHZQO-KRWDZBQOSA-N 1 3 310.485 4.722 20 0 DJADHO Cc1cc(Cl)cc(C)c1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415061926 334262425 /nfs/dbraw/zinc/26/24/25/334262425.db2.gz ZEKYUXKLVDTDSA-LJQANCHMSA-N 1 3 316.876 4.527 20 0 DJADHO Cc1cc(Cl)cc(C)c1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415061925 334262524 /nfs/dbraw/zinc/26/25/24/334262524.db2.gz ZEKYUXKLVDTDSA-IBGZPJMESA-N 1 3 316.876 4.527 20 0 DJADHO CC(C)C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000531944545 334300212 /nfs/dbraw/zinc/30/02/12/334300212.db2.gz YQPRIXBPCWTONU-NRFANRHFSA-N 1 3 310.485 4.625 20 0 DJADHO CC(C)C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000531944545 334300213 /nfs/dbraw/zinc/30/02/13/334300213.db2.gz YQPRIXBPCWTONU-NRFANRHFSA-N 1 3 310.485 4.625 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000531959223 334314801 /nfs/dbraw/zinc/31/48/01/334314801.db2.gz RTHLFPMTLNDEAI-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000531959223 334314802 /nfs/dbraw/zinc/31/48/02/334314802.db2.gz RTHLFPMTLNDEAI-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000532482897 336251598 /nfs/dbraw/zinc/25/15/98/336251598.db2.gz FDYRZNKHWJGSRO-OAHLLOKOSA-N 1 3 316.876 4.643 20 0 DJADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000532482897 336251599 /nfs/dbraw/zinc/25/15/99/336251599.db2.gz FDYRZNKHWJGSRO-OAHLLOKOSA-N 1 3 316.876 4.643 20 0 DJADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1cc(Cl)sc1Cl ZINC000421881593 337658639 /nfs/dbraw/zinc/65/86/39/337658639.db2.gz RHUXUPXLIMXDQI-WHXUTIOJSA-N 1 3 321.317 4.578 20 0 DJADHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423290494 337709897 /nfs/dbraw/zinc/70/98/97/337709897.db2.gz DGAOFAXXURVJHH-SCLBCKFNSA-N 1 3 302.849 4.601 20 0 DJADHO Cc1ccc2cc([C@@H](C)NCc3ccc([C@H](C)[NH3+])cc3)oc2c1 ZINC000423292025 337710072 /nfs/dbraw/zinc/71/00/72/337710072.db2.gz KZSDNJPSRFLXTH-LSDHHAIUSA-N 1 3 308.425 4.612 20 0 DJADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423291808 337710121 /nfs/dbraw/zinc/71/01/21/337710121.db2.gz JXAPJMHRIQTXEU-HUUCEWRRSA-N 1 3 308.425 4.612 20 0 DJADHO CC(C)C[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccs1 ZINC000423296564 337710851 /nfs/dbraw/zinc/71/08/51/337710851.db2.gz ZKPOFZDRNJROTK-YOEHRIQHSA-N 1 3 302.487 4.645 20 0 DJADHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)s1 ZINC000423296567 337711023 /nfs/dbraw/zinc/71/10/23/337711023.db2.gz ZKSVTQSIPLXQPR-FZMZJTMJSA-N 1 3 308.878 4.662 20 0 DJADHO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C2CCCCC2)cc1 ZINC000423389116 337718193 /nfs/dbraw/zinc/71/81/93/337718193.db2.gz OAEDEHFOLYWQNW-JOCHJYFZSA-N 1 3 320.480 4.701 20 0 DJADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000156560353 338369046 /nfs/dbraw/zinc/36/90/46/338369046.db2.gz QJUPDJAKQIYVKT-KFNAQCHYSA-N 1 3 315.288 4.517 20 0 DJADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000156560353 338369047 /nfs/dbraw/zinc/36/90/47/338369047.db2.gz QJUPDJAKQIYVKT-KFNAQCHYSA-N 1 3 315.288 4.517 20 0 DJADHO C[C@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000467417909 339237514 /nfs/dbraw/zinc/23/75/14/339237514.db2.gz MEHLONYNRWNDPJ-GOSISDBHSA-N 1 3 314.517 4.567 20 0 DJADHO C[C@H](CCNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000467417909 339237515 /nfs/dbraw/zinc/23/75/15/339237515.db2.gz MEHLONYNRWNDPJ-GOSISDBHSA-N 1 3 314.517 4.567 20 0 DJADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045991 339335699 /nfs/dbraw/zinc/33/56/99/339335699.db2.gz ALFZLVNVHAZXDF-QZTJIDSGSA-N 1 3 310.485 4.565 20 0 DJADHO CCCN(C)C[C@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045991 339335700 /nfs/dbraw/zinc/33/57/00/339335700.db2.gz ALFZLVNVHAZXDF-QZTJIDSGSA-N 1 3 310.485 4.565 20 0 DJADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cc2ccccc2o1 ZINC000480637998 339580903 /nfs/dbraw/zinc/58/09/03/339580903.db2.gz IDRMAXUOEJDWFL-QGZVFWFLSA-N 1 3 314.473 4.596 20 0 DJADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3occc3c2)c1 ZINC000512046280 340346514 /nfs/dbraw/zinc/34/65/14/340346514.db2.gz SJGKUBPGVARKDM-UHFFFAOYSA-N 1 3 322.452 4.563 20 0 DJADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3occc3c2)c1 ZINC000512046280 340346515 /nfs/dbraw/zinc/34/65/15/340346515.db2.gz SJGKUBPGVARKDM-UHFFFAOYSA-N 1 3 322.452 4.563 20 0 DJADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1 ZINC000512326303 340357229 /nfs/dbraw/zinc/35/72/29/340357229.db2.gz ZWDJAEFRBOHJIB-KNBMTAEXSA-N 1 3 318.480 4.519 20 0 DJADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326904 340357325 /nfs/dbraw/zinc/35/73/25/340357325.db2.gz BDLGFNAGLURIRR-LMNJBCLMSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326904 340357326 /nfs/dbraw/zinc/35/73/26/340357326.db2.gz BDLGFNAGLURIRR-LMNJBCLMSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(C)cc1 ZINC000512326904 340357327 /nfs/dbraw/zinc/35/73/27/340357327.db2.gz BDLGFNAGLURIRR-LMNJBCLMSA-N 1 3 314.517 4.689 20 0 DJADHO Cc1cccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000512338584 340357988 /nfs/dbraw/zinc/35/79/88/340357988.db2.gz ZEYNKIRVFNFOFT-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338584 340357989 /nfs/dbraw/zinc/35/79/89/340357989.db2.gz ZEYNKIRVFNFOFT-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1C ZINC000512338584 340357990 /nfs/dbraw/zinc/35/79/90/340357990.db2.gz ZEYNKIRVFNFOFT-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO CC[NH+]1CCC(N[C@H](C)c2ccc(-c3ccccc3)s2)CC1 ZINC000543602260 341050707 /nfs/dbraw/zinc/05/07/07/341050707.db2.gz NBHAUAFMTMLVLH-OAHLLOKOSA-N 1 3 314.498 4.550 20 0 DJADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C2CC2)c1 ZINC000550678724 341321108 /nfs/dbraw/zinc/32/11/08/341321108.db2.gz QGCVHXWNPUTFMD-INIZCTEOSA-N 1 3 312.501 4.622 20 0 DJADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000171130459 518186274 /nfs/dbraw/zinc/18/62/74/518186274.db2.gz VIHLAOCQEGULQV-MRXNPFEDSA-N 1 3 322.452 4.654 20 0 DJADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000560523865 332350798 /nfs/dbraw/zinc/35/07/98/332350798.db2.gz FYUPZYYMYIZWAX-PNESKVBLSA-N 1 3 315.288 4.517 20 0 DJADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1Cl ZINC000560528337 332351774 /nfs/dbraw/zinc/35/17/74/332351774.db2.gz PXBFHAIPLDHMSJ-LMWSTFAQSA-N 1 3 315.288 4.517 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(C)s2)cc1 ZINC000314038349 333083548 /nfs/dbraw/zinc/08/35/48/333083548.db2.gz DJPJNRZZJFPHFL-MRXNPFEDSA-N 1 3 316.514 4.749 20 0 DJADHO Cc1cccc(CNCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000497228559 333224665 /nfs/dbraw/zinc/22/46/65/333224665.db2.gz MAUCWGNJHXCLFW-UHFFFAOYSA-N 1 3 322.496 4.661 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccccc1C ZINC000320350328 333517950 /nfs/dbraw/zinc/51/79/50/333517950.db2.gz PVEGMAMFWLMHPF-GOSISDBHSA-N 1 3 310.485 4.688 20 0 DJADHO Cc1cc2cc(CN[C@H](CCC[NH3+])c3ccccc3)oc2cc1C ZINC000415062133 334262481 /nfs/dbraw/zinc/26/24/81/334262481.db2.gz ZTPKXMIXONUBRJ-HXUWFJFHSA-N 1 3 322.452 4.619 20 0 DJADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000534495576 334277584 /nfs/dbraw/zinc/27/75/84/334277584.db2.gz DOKAUZGAIKCUGF-SJORKVTESA-N 1 3 320.546 4.570 20 0 DJADHO Cc1cc([C@H](C)N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C)s1 ZINC000415117596 334283956 /nfs/dbraw/zinc/28/39/56/334283956.db2.gz ITURBYWVZVOWAC-FNHZYXHNSA-N 1 3 314.498 4.509 20 0 DJADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980942 334352791 /nfs/dbraw/zinc/35/27/91/334352791.db2.gz QGTODUQSSSVRRC-MPGHIAIKSA-N 1 3 314.498 4.548 20 0 DJADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980942 334352792 /nfs/dbraw/zinc/35/27/92/334352792.db2.gz QGTODUQSSSVRRC-MPGHIAIKSA-N 1 3 314.498 4.548 20 0 DJADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)c(F)c1 ZINC000519766252 335894946 /nfs/dbraw/zinc/89/49/46/335894946.db2.gz QNFVJVMXYFUMFJ-ACJLOTCBSA-N 1 3 320.839 4.610 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000324650706 336239891 /nfs/dbraw/zinc/23/98/91/336239891.db2.gz BHOZBNGLFWMOIT-QFIPXVFZSA-N 1 3 322.496 4.769 20 0 DJADHO CCSc1ccccc1[C@@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000532451701 336250010 /nfs/dbraw/zinc/25/00/10/336250010.db2.gz MEBUMYKAAPNLJS-MRXNPFEDSA-N 1 3 320.546 4.570 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2ccc(C)cc21 ZINC000325260075 336281952 /nfs/dbraw/zinc/28/19/52/336281952.db2.gz NOWBCDLYTUOWQZ-QFIPXVFZSA-N 1 3 322.496 4.614 20 0 DJADHO CC(C)CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccoc1 ZINC000353432576 336417524 /nfs/dbraw/zinc/41/75/24/336417524.db2.gz CBDPTRXYDZFKST-HXUWFJFHSA-N 1 3 314.473 4.608 20 0 DJADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422948663 337694351 /nfs/dbraw/zinc/69/43/51/337694351.db2.gz RUZQPDXLOSTYSZ-CXAGYDPISA-N 1 3 322.905 4.598 20 0 DJADHO CCSc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291504 337710068 /nfs/dbraw/zinc/71/00/68/337710068.db2.gz IQOVCEMFDRBZEH-CABCVRRESA-N 1 3 314.498 4.669 20 0 DJADHO Cc1cc2cc([C@@H](C)NCc3ccc([C@H](C)[NH3+])cc3)oc2cc1C ZINC000423292005 337710088 /nfs/dbraw/zinc/71/00/88/337710088.db2.gz KXKQXXLLTOPMAA-JKSUJKDBSA-N 1 3 322.452 4.920 20 0 DJADHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1 ZINC000423293985 337710577 /nfs/dbraw/zinc/71/05/77/337710577.db2.gz STTOOMBKEQDSEK-UGSOOPFHSA-N 1 3 302.849 4.601 20 0 DJADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCc3c(Cl)cccc32)cc1 ZINC000423294787 337710742 /nfs/dbraw/zinc/71/07/42/337710742.db2.gz VKPVCRGMFNCMTP-DJJJIMSYSA-N 1 3 314.860 4.527 20 0 DJADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000423497589 337723286 /nfs/dbraw/zinc/72/32/86/337723286.db2.gz HABFTDVJSVRUAD-SCLBCKFNSA-N 1 3 320.839 4.610 20 0 DJADHO CC(C)[C@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000447532890 338554741 /nfs/dbraw/zinc/55/47/41/338554741.db2.gz XXQOKLHCTJBSEK-FGZHOGPDSA-N 1 3 322.496 4.722 20 0 DJADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000462679212 339083859 /nfs/dbraw/zinc/08/38/59/339083859.db2.gz HKGDBDFSHLQNCD-UTKZUKDTSA-N 1 3 322.496 4.693 20 0 DJADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000462679210 339083923 /nfs/dbraw/zinc/08/39/23/339083923.db2.gz HKGDBDFSHLQNCD-DYESRHJHSA-N 1 3 322.496 4.693 20 0 DJADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1csc(Cl)c1 ZINC000468818306 339271684 /nfs/dbraw/zinc/27/16/84/339271684.db2.gz CZZXAIPGUAEOKH-KBPBESRZSA-N 1 3 314.926 4.707 20 0 DJADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1csc(Cl)c1 ZINC000468818306 339271685 /nfs/dbraw/zinc/27/16/85/339271685.db2.gz CZZXAIPGUAEOKH-KBPBESRZSA-N 1 3 314.926 4.707 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000472142247 339364251 /nfs/dbraw/zinc/36/42/51/339364251.db2.gz MMLYJYOVHQWNMB-NRFANRHFSA-N 1 3 322.496 4.532 20 0 DJADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000472142247 339364252 /nfs/dbraw/zinc/36/42/52/339364252.db2.gz MMLYJYOVHQWNMB-NRFANRHFSA-N 1 3 322.496 4.532 20 0 DJADHO Cc1cc(C)c([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1C ZINC000480143223 339560437 /nfs/dbraw/zinc/56/04/37/339560437.db2.gz NZMBNOCMPYSYHH-GOSISDBHSA-N 1 3 310.485 4.524 20 0 DJADHO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000512314235 340356546 /nfs/dbraw/zinc/35/65/46/340356546.db2.gz NPPUMGSCUIHVEI-ZWOKBUDYSA-N 1 3 314.517 4.553 20 0 DJADHO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000512314116 340356609 /nfs/dbraw/zinc/35/66/09/340356609.db2.gz MKNUNNKMWLOWTQ-UXLLHSPISA-N 1 3 320.908 4.644 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512320449 340356891 /nfs/dbraw/zinc/35/68/91/340356891.db2.gz BIKPSFRUNJAQJP-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320449 340356892 /nfs/dbraw/zinc/35/68/92/340356892.db2.gz BIKPSFRUNJAQJP-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000512320449 340356893 /nfs/dbraw/zinc/35/68/93/340356893.db2.gz BIKPSFRUNJAQJP-FHWLQOOXSA-N 1 3 314.517 4.607 20 0 DJADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326905 340357284 /nfs/dbraw/zinc/35/72/84/340357284.db2.gz BDLGFNAGLURIRR-QFUCXCTJSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326905 340357285 /nfs/dbraw/zinc/35/72/85/340357285.db2.gz BDLGFNAGLURIRR-QFUCXCTJSA-N 1 3 314.517 4.689 20 0 DJADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(C)cc1 ZINC000512326905 340357286 /nfs/dbraw/zinc/35/72/86/340357286.db2.gz BDLGFNAGLURIRR-QFUCXCTJSA-N 1 3 314.517 4.689 20 0 DJADHO Cc1cccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000512338586 340358033 /nfs/dbraw/zinc/35/80/33/340358033.db2.gz ZEYNKIRVFNFOFT-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338586 340358034 /nfs/dbraw/zinc/35/80/34/340358034.db2.gz ZEYNKIRVFNFOFT-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1C ZINC000512338586 340358035 /nfs/dbraw/zinc/35/80/35/340358035.db2.gz ZEYNKIRVFNFOFT-GBESFXJTSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000512338587 340358039 /nfs/dbraw/zinc/35/80/39/340358039.db2.gz ZEYNKIRVFNFOFT-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338587 340358040 /nfs/dbraw/zinc/35/80/40/340358040.db2.gz ZEYNKIRVFNFOFT-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1C ZINC000512338587 340358041 /nfs/dbraw/zinc/35/80/41/340358041.db2.gz ZEYNKIRVFNFOFT-QYZOEREBSA-N 1 3 314.517 4.607 20 0 DJADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000512999570 340387625 /nfs/dbraw/zinc/38/76/25/340387625.db2.gz SUUYCGUHZXFHQP-FYWRMAATSA-N 1 3 320.908 4.596 20 0 DJADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000326551612 340715273 /nfs/dbraw/zinc/71/52/73/340715273.db2.gz OJOGKYLFPVSOHF-VGOFRKELSA-N 1 3 322.496 4.867 20 0 DJADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H](C)c3ccccc32)cc1 ZINC000326557377 340715604 /nfs/dbraw/zinc/71/56/04/340715604.db2.gz QLMHCOINMHOTOW-VGOFRKELSA-N 1 3 322.496 4.867 20 0 DJADHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000112518289 522875288 /nfs/dbraw/zinc/87/52/88/522875288.db2.gz RLYGJGULNJKASD-OAQYLSRUSA-N 1 3 308.469 4.523 20 0 DJADHO