smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096047910 185073352 /nfs/dbraw/zinc/07/33/52/185073352.db2.gz XJQITKDXYMENBJ-CQSZACIVSA-N 1 3 264.369 1.965 40 0 CDABHO c1ccc(CCN2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096088765 185093539 /nfs/dbraw/zinc/09/35/39/185093539.db2.gz YQBYNXSWQXJTPI-UHFFFAOYSA-N 1 3 260.381 1.684 40 0 CDABHO C(CCCSC1=[NH+]CCN1)CCSC1=NCCN1 ZINC000001652051 355944481 /nfs/dbraw/zinc/94/44/81/355944481.db2.gz OBRGTSVNAJGUMD-UHFFFAOYSA-N 1 3 286.470 1.932 40 0 CDABHO CC[N@H+](Cc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079415269 356995032 /nfs/dbraw/zinc/99/50/32/356995032.db2.gz OPKQRZQKBLZOCP-UHFFFAOYSA-N 1 3 275.396 1.458 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079415269 356995035 /nfs/dbraw/zinc/99/50/35/356995035.db2.gz OPKQRZQKBLZOCP-UHFFFAOYSA-N 1 3 275.396 1.458 40 0 CDABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000079415415 278224287 /nfs/dbraw/zinc/22/42/87/278224287.db2.gz CUEGXVIPFGXYJP-BPUTZDHNSA-N 1 3 289.423 1.893 40 0 CDABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415415 278224288 /nfs/dbraw/zinc/22/42/88/278224288.db2.gz CUEGXVIPFGXYJP-BPUTZDHNSA-N 1 3 289.423 1.893 40 0 CDABHO CC(C)(C)c1cc(CN2CCC(C[NH3+])CC2)n[nH]1 ZINC000096523625 342166023 /nfs/dbraw/zinc/16/60/23/342166023.db2.gz PYJKDHKGNWEDSH-UHFFFAOYSA-N 1 3 250.390 1.878 40 0 CDABHO CCN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CN ZINC000079404230 356989901 /nfs/dbraw/zinc/98/99/01/356989901.db2.gz SRWOOKLBBDVETI-UHFFFAOYSA-N 1 3 289.423 1.706 40 0 CDABHO C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404385 356990978 /nfs/dbraw/zinc/99/09/78/356990978.db2.gz WCCKHYZJOMZFRG-DZGCQCFKSA-N 1 3 275.396 1.362 40 0 CDABHO C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404385 356990984 /nfs/dbraw/zinc/99/09/84/356990984.db2.gz WCCKHYZJOMZFRG-DZGCQCFKSA-N 1 3 275.396 1.362 40 0 CDABHO N[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000237964778 361497719 /nfs/dbraw/zinc/49/77/19/361497719.db2.gz LIONXARLQBUDBF-YPAMNDHTSA-N 1 3 287.407 1.723 40 0 CDABHO CC(C)N(C(=O)[C@H](C)N)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242390312 364512944 /nfs/dbraw/zinc/51/29/44/364512944.db2.gz AJXJXDRRDOUBQC-AVGNSLFASA-N 1 3 255.406 1.443 40 0 CDABHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404191 356990112 /nfs/dbraw/zinc/99/01/12/356990112.db2.gz BSDLHNABWBXREX-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404191 356990113 /nfs/dbraw/zinc/99/01/13/356990113.db2.gz BSDLHNABWBXREX-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO CCN(CC)CCOC(=O)CCC1CC[NH2+]CC1 ZINC000001620715 355941653 /nfs/dbraw/zinc/94/16/53/355941653.db2.gz HBNMFHYWHSJOCF-UHFFFAOYSA-N 1 3 256.390 1.651 40 0 CDABHO CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407634 356990719 /nfs/dbraw/zinc/99/07/19/356990719.db2.gz BFZCJDZRIBIADC-MJBXVCDLSA-N 1 3 269.433 1.691 40 0 CDABHO Cn1cc(CN2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)cn1 ZINC000096047915 185072838 /nfs/dbraw/zinc/07/28/38/185072838.db2.gz DICRTBJQAZASMW-CQSZACIVSA-N 1 3 278.400 1.105 40 0 CDABHO [NH3+]CCN(C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393632 390421027 /nfs/dbraw/zinc/42/10/27/390421027.db2.gz DYTJPGVYXYSZBJ-MRXNPFEDSA-N 1 3 259.397 1.684 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCN(C)C1 ZINC000079407738 280271685 /nfs/dbraw/zinc/27/16/85/280271685.db2.gz HSYLAXVJVBRMEE-STQMWFEESA-N 1 3 253.390 1.055 40 0 CDABHO OC[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484359 230381168 /nfs/dbraw/zinc/38/11/68/230381168.db2.gz CTUMWRFFXBTOBG-BRWVUGGUSA-N 1 3 274.408 1.979 40 0 CDABHO OC[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484359 230381169 /nfs/dbraw/zinc/38/11/69/230381169.db2.gz CTUMWRFFXBTOBG-BRWVUGGUSA-N 1 3 274.408 1.979 40 0 CDABHO Cc1ccc(CN2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)o1 ZINC000096056228 185077771 /nfs/dbraw/zinc/07/77/71/185077771.db2.gz LDYMUYPILOPOMG-CWRNSKLLSA-N 1 3 278.396 1.987 40 0 CDABHO CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000072816494 357852224 /nfs/dbraw/zinc/85/22/24/357852224.db2.gz XFSNQALZPVQQSF-UHFFFAOYSA-N 1 3 267.417 1.320 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415222 390421671 /nfs/dbraw/zinc/42/16/71/390421671.db2.gz IVYFRJJQWNLGJP-LSDHHAIUSA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415222 390421674 /nfs/dbraw/zinc/42/16/74/390421674.db2.gz IVYFRJJQWNLGJP-LSDHHAIUSA-N 1 3 275.396 1.505 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000242687284 261267711 /nfs/dbraw/zinc/26/77/11/261267711.db2.gz UDUWAYCDQYFANT-OBJOEFQTSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000242687284 261267713 /nfs/dbraw/zinc/26/77/13/261267713.db2.gz UDUWAYCDQYFANT-OBJOEFQTSA-N 1 3 267.417 1.491 40 0 CDABHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404199 356990128 /nfs/dbraw/zinc/99/01/28/356990128.db2.gz BSDLHNABWBXREX-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404199 356990129 /nfs/dbraw/zinc/99/01/29/356990129.db2.gz BSDLHNABWBXREX-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO CN(C)CCn1cc2[nH]c([C@H]3CCC[NH2+]3)ccc-2c1=O ZINC000257216858 190013754 /nfs/dbraw/zinc/01/37/54/190013754.db2.gz CWJVGKOUFKUEBQ-GFCCVEGCSA-N 1 3 274.368 1.024 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@H+](C)C(C)C)C1 ZINC000079419582 356995160 /nfs/dbraw/zinc/99/51/60/356995160.db2.gz MCGFLHVDCRXJPS-STQMWFEESA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@@H+](C)C(C)C)C1 ZINC000079419582 356995163 /nfs/dbraw/zinc/99/51/63/356995163.db2.gz MCGFLHVDCRXJPS-STQMWFEESA-N 1 3 255.406 1.301 40 0 CDABHO COc1c2c(c([C@H](C)[NH3+])c3c1CN(C)CC3)OCO2 ZINC000242548038 391942994 /nfs/dbraw/zinc/94/29/94/391942994.db2.gz KZXTZZCMYAOSHW-QMMMGPOBSA-N 1 3 264.325 1.432 40 0 CDABHO C[C@H](N)C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000083320858 260189395 /nfs/dbraw/zinc/18/93/95/260189395.db2.gz NDDYBWBWTKZYKF-ZDUSSCGKSA-N 1 3 275.396 1.457 40 0 CDABHO C[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000083320858 260189396 /nfs/dbraw/zinc/18/93/96/260189396.db2.gz NDDYBWBWTKZYKF-ZDUSSCGKSA-N 1 3 275.396 1.457 40 0 CDABHO CC(C)[C@H](N)C(=O)N(CC1CC[NH+](C)CC1)C(C)C ZINC000079426711 277902335 /nfs/dbraw/zinc/90/23/35/277902335.db2.gz XJFHTJVOBKNYOV-AWEZNQCLSA-N 1 3 269.433 1.549 40 0 CDABHO CN(CCO)Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1 ZINC000019586120 356492501 /nfs/dbraw/zinc/49/25/01/356492501.db2.gz QMEZJBNSZKHIAJ-LBPRGKRZSA-N 1 3 288.395 1.454 40 0 CDABHO NCC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393806 356989173 /nfs/dbraw/zinc/98/91/73/356989173.db2.gz NACRROLINSVOBU-OAHLLOKOSA-N 1 3 273.380 1.211 40 0 CDABHO NCC(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393806 356989175 /nfs/dbraw/zinc/98/91/75/356989175.db2.gz NACRROLINSVOBU-OAHLLOKOSA-N 1 3 273.380 1.211 40 0 CDABHO CCN1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](C)C2)C1 ZINC000096216661 358721539 /nfs/dbraw/zinc/72/15/39/358721539.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 1 3 289.423 1.872 40 0 CDABHO CCN1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](C)C2)C1 ZINC000096216661 358721540 /nfs/dbraw/zinc/72/15/40/358721540.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 1 3 289.423 1.872 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000079404593 356990731 /nfs/dbraw/zinc/99/07/31/356990731.db2.gz SACBQTCDVLXJFE-HOTGVXAUSA-N 1 3 289.423 1.751 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419654 356994678 /nfs/dbraw/zinc/99/46/78/356994678.db2.gz TUDSHIUJGSBKAG-KGLIPLIRSA-N 1 3 267.417 1.445 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419654 356994681 /nfs/dbraw/zinc/99/46/81/356994681.db2.gz TUDSHIUJGSBKAG-KGLIPLIRSA-N 1 3 267.417 1.445 40 0 CDABHO CCN(C(=O)CN)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404213 284149590 /nfs/dbraw/zinc/14/95/90/284149590.db2.gz USMVHOOSQFTWLH-UHFFFAOYSA-N 1 3 275.396 1.458 40 0 CDABHO CN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404171 356990132 /nfs/dbraw/zinc/99/01/32/356990132.db2.gz WMPRNLZOPOUTET-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO CN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404171 356990133 /nfs/dbraw/zinc/99/01/33/356990133.db2.gz WMPRNLZOPOUTET-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO CC[NH+](CC)CCCN=c1nc2ccccc2[n+]([O-])[nH]1 ZINC000104281446 358954690 /nfs/dbraw/zinc/95/46/90/358954690.db2.gz JAAYGBVMCUQJLB-UHFFFAOYSA-N 1 3 276.364 1.621 40 0 CDABHO CN(CCO)Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000019586118 356492417 /nfs/dbraw/zinc/49/24/17/356492417.db2.gz QMEZJBNSZKHIAJ-GFCCVEGCSA-N 1 3 288.395 1.454 40 0 CDABHO CCN(CCO)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393509 356989107 /nfs/dbraw/zinc/98/91/07/356989107.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 1 3 262.397 1.823 40 0 CDABHO CCN(CCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393509 356989111 /nfs/dbraw/zinc/98/91/11/356989111.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 1 3 262.397 1.823 40 0 CDABHO C(OC[C@H]1CN(CC2CC2)C[C@@]12CC[NH2+]C2)C1CC1 ZINC000306135677 374969786 /nfs/dbraw/zinc/96/97/86/374969786.db2.gz OXNUHKWLCVMNJY-CVEARBPZSA-N 1 3 264.413 1.735 40 0 CDABHO COc1c2c(c(C(C)(C)[NH3+])c3c1CN(C)CC3)OCO2 ZINC000252487885 392794941 /nfs/dbraw/zinc/79/49/41/392794941.db2.gz IDHRBSNSIRDQFJ-UHFFFAOYSA-N 1 3 278.352 1.606 40 0 CDABHO CC[NH+]1CCC(N2CC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331857 190035480 /nfs/dbraw/zinc/03/54/80/190035480.db2.gz XUOQPVZQBYEZEG-CYBMUJFWSA-N 1 3 262.401 1.992 40 0 CDABHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000236770256 278049646 /nfs/dbraw/zinc/04/96/46/278049646.db2.gz MQISTURNOQKZSR-HUUCEWRRSA-N 1 3 275.396 1.536 40 0 CDABHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079404448 356990796 /nfs/dbraw/zinc/99/07/96/356990796.db2.gz UMNSMOBBLNWFMH-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079404448 356990801 /nfs/dbraw/zinc/99/08/01/356990801.db2.gz UMNSMOBBLNWFMH-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO CCN1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216274 390621384 /nfs/dbraw/zinc/62/13/84/390621384.db2.gz GYWQMIDYYSJOCB-AWEZNQCLSA-N 1 3 260.385 1.648 40 0 CDABHO CC[N@@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216274 390621386 /nfs/dbraw/zinc/62/13/86/390621386.db2.gz GYWQMIDYYSJOCB-AWEZNQCLSA-N 1 3 260.385 1.648 40 0 CDABHO CC[N@H+]1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216274 390621388 /nfs/dbraw/zinc/62/13/88/390621388.db2.gz GYWQMIDYYSJOCB-AWEZNQCLSA-N 1 3 260.385 1.648 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419627 356995350 /nfs/dbraw/zinc/99/53/50/356995350.db2.gz IFJINVRGEKFDBW-OLZOCXBDSA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419627 356995353 /nfs/dbraw/zinc/99/53/53/356995353.db2.gz IFJINVRGEKFDBW-OLZOCXBDSA-N 1 3 253.390 1.055 40 0 CDABHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000218871230 377941043 /nfs/dbraw/zinc/94/10/43/377941043.db2.gz FNVWYGBIEXEYCD-QWHCGFSZSA-N 1 3 264.369 1.716 40 0 CDABHO Cn1ccc(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)n1 ZINC000227220868 140183278 /nfs/dbraw/zinc/18/32/78/140183278.db2.gz WQOWSBRSMYISFG-CABCVRRESA-N 1 3 256.353 1.697 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCCN(C)C1 ZINC000079426690 280271158 /nfs/dbraw/zinc/27/11/58/280271158.db2.gz YAMGVSKORIPUEJ-STQMWFEESA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@H+](C)C2CC2)CC1 ZINC000079419667 280271865 /nfs/dbraw/zinc/27/18/65/280271865.db2.gz BCUVWBJVAOQKLJ-AWEZNQCLSA-N 1 3 267.417 1.303 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@@H+](C)C2CC2)CC1 ZINC000079419667 280271867 /nfs/dbraw/zinc/27/18/67/280271867.db2.gz BCUVWBJVAOQKLJ-AWEZNQCLSA-N 1 3 267.417 1.303 40 0 CDABHO NCC(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079391038 303365942 /nfs/dbraw/zinc/36/59/42/303365942.db2.gz SZWLTWOMXXCKQS-MRXNPFEDSA-N 1 3 287.407 1.601 40 0 CDABHO NCC(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079391038 303365944 /nfs/dbraw/zinc/36/59/44/303365944.db2.gz SZWLTWOMXXCKQS-MRXNPFEDSA-N 1 3 287.407 1.601 40 0 CDABHO CCN(Cc1cnn(CC)c1)CC1CC[NH2+]CC1 ZINC000094025265 391578587 /nfs/dbraw/zinc/57/85/87/391578587.db2.gz JKYLWTUVZDQPAD-UHFFFAOYSA-N 1 3 250.390 1.725 40 0 CDABHO OCCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989671 /nfs/dbraw/zinc/98/96/71/356989671.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 1 3 274.408 1.965 40 0 CDABHO OCCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989675 /nfs/dbraw/zinc/98/96/75/356989675.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 1 3 274.408 1.965 40 0 CDABHO CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407350 356991105 /nfs/dbraw/zinc/99/11/05/356991105.db2.gz NQRYKVZMTLREBU-AVGNSLFASA-N 1 3 255.406 1.443 40 0 CDABHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404611 356991562 /nfs/dbraw/zinc/99/15/62/356991562.db2.gz POTNTNYJJFONTH-CVEARBPZSA-N 1 3 289.423 1.608 40 0 CDABHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404611 356991565 /nfs/dbraw/zinc/99/15/65/356991565.db2.gz POTNTNYJJFONTH-CVEARBPZSA-N 1 3 289.423 1.608 40 0 CDABHO CC(C)N(CC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393605 390421875 /nfs/dbraw/zinc/42/18/75/390421875.db2.gz VGOUQMHKGQKVRP-INIZCTEOSA-N 1 3 261.413 1.930 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404407 356990775 /nfs/dbraw/zinc/99/07/75/356990775.db2.gz UNAUYYTYCINVCX-ZFWWWQNUSA-N 1 3 275.396 1.314 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404407 356990778 /nfs/dbraw/zinc/99/07/78/356990778.db2.gz UNAUYYTYCINVCX-ZFWWWQNUSA-N 1 3 275.396 1.314 40 0 CDABHO OCC[N@@H+]1CC[C@@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993620 /nfs/dbraw/zinc/99/36/20/356993620.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 1 3 274.408 1.965 40 0 CDABHO OCC[N@H+]1CC[C@@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993621 /nfs/dbraw/zinc/99/36/21/356993621.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 1 3 274.408 1.965 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415260 356995230 /nfs/dbraw/zinc/99/52/30/356995230.db2.gz ATQPZMKWHFWLKT-OAHLLOKOSA-N 1 3 275.396 1.458 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415260 356995234 /nfs/dbraw/zinc/99/52/34/356995234.db2.gz ATQPZMKWHFWLKT-OAHLLOKOSA-N 1 3 275.396 1.458 40 0 CDABHO CN1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216296 390620877 /nfs/dbraw/zinc/62/08/77/390620877.db2.gz FAKRETLRIRAJQW-CQSZACIVSA-N 1 3 260.385 1.648 40 0 CDABHO CC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168818 188361700 /nfs/dbraw/zinc/36/17/00/188361700.db2.gz WMZPXJDZGQYJMN-OIISXLGYSA-N 1 3 276.424 1.910 40 0 CDABHO CC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168818 188361702 /nfs/dbraw/zinc/36/17/02/188361702.db2.gz WMZPXJDZGQYJMN-OIISXLGYSA-N 1 3 276.424 1.910 40 0 CDABHO C[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000079404377 356991320 /nfs/dbraw/zinc/99/13/20/356991320.db2.gz ISPWQDMBNXNFRA-DZGCQCFKSA-N 1 3 275.396 1.505 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415300 356995370 /nfs/dbraw/zinc/99/53/70/356995370.db2.gz CEWPVKNRKQDVMT-HOTGVXAUSA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415300 356995372 /nfs/dbraw/zinc/99/53/72/356995372.db2.gz CEWPVKNRKQDVMT-HOTGVXAUSA-N 1 3 289.423 1.895 40 0 CDABHO C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000079404374 356991071 /nfs/dbraw/zinc/99/10/71/356991071.db2.gz ISPWQDMBNXNFRA-ZFWWWQNUSA-N 1 3 275.396 1.505 40 0 CDABHO CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407348 356991469 /nfs/dbraw/zinc/99/14/69/356991469.db2.gz NQRYKVZMTLREBU-RWMBFGLXSA-N 1 3 255.406 1.443 40 0 CDABHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN ZINC000079415161 356994064 /nfs/dbraw/zinc/99/40/64/356994064.db2.gz GEMGMSIYTUDBGY-AWEZNQCLSA-N 1 3 261.369 1.068 40 0 CDABHO C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN ZINC000079415161 356994067 /nfs/dbraw/zinc/99/40/67/356994067.db2.gz GEMGMSIYTUDBGY-AWEZNQCLSA-N 1 3 261.369 1.068 40 0 CDABHO CCN1CCC[C@@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000046087459 175391943 /nfs/dbraw/zinc/39/19/43/175391943.db2.gz WXKCFHMOMCMXJD-MRXNPFEDSA-N 1 3 292.379 1.352 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242728165 261267101 /nfs/dbraw/zinc/26/71/01/261267101.db2.gz YVXAUXLXZNYEJP-YDHLFZDLSA-N 1 3 281.444 1.834 40 0 CDABHO C[NH+](C)C[C@]12COC[C@H]1CN(CCc1ccccc1)C2 ZINC000096108255 185099933 /nfs/dbraw/zinc/09/99/33/185099933.db2.gz SJLLYBWQQUNAOM-SJORKVTESA-N 1 3 274.408 1.739 40 0 CDABHO COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(CN(C)C)C1 ZINC000096108263 185100080 /nfs/dbraw/zinc/10/00/80/185100080.db2.gz VDWKHEITQGTPBA-WBVHZDCISA-N 1 3 290.407 1.705 40 0 CDABHO COc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(CN(C)C)C1 ZINC000096108263 185100081 /nfs/dbraw/zinc/10/00/81/185100081.db2.gz VDWKHEITQGTPBA-WBVHZDCISA-N 1 3 290.407 1.705 40 0 CDABHO CC(C)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404250 356989914 /nfs/dbraw/zinc/98/99/14/356989914.db2.gz RBWCFZVBMBVXRM-INIZCTEOSA-N 1 3 289.423 1.704 40 0 CDABHO CC(C)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404250 356989917 /nfs/dbraw/zinc/98/99/17/356989917.db2.gz RBWCFZVBMBVXRM-INIZCTEOSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415387 356995049 /nfs/dbraw/zinc/99/50/49/356995049.db2.gz GQXMBPXAJSCSAO-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415387 356995052 /nfs/dbraw/zinc/99/50/52/356995052.db2.gz GQXMBPXAJSCSAO-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO CN(Cc1ccccc1)C[C@H]1CCCCN1CC[NH3+] ZINC000079414514 390421333 /nfs/dbraw/zinc/42/13/33/390421333.db2.gz FXFUTWYIESLTGP-MRXNPFEDSA-N 1 3 261.413 1.932 40 0 CDABHO Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@@H](C)[NH3+] ZINC000072224756 390624638 /nfs/dbraw/zinc/62/46/38/390624638.db2.gz DONRDSXCXGRWGD-GFCCVEGCSA-N 1 3 262.401 1.940 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407543 280271233 /nfs/dbraw/zinc/27/12/33/280271233.db2.gz FHSSIEWIEGGRHJ-UPJWGTAASA-N 1 3 255.406 1.301 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000242437534 279240116 /nfs/dbraw/zinc/24/01/16/279240116.db2.gz CEWPVKNRKQDVMT-CVEARBPZSA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000242437534 279240118 /nfs/dbraw/zinc/24/01/18/279240118.db2.gz CEWPVKNRKQDVMT-CVEARBPZSA-N 1 3 289.423 1.895 40 0 CDABHO C[NH+](C)C[C@@H]1OC[C@@H]2CN(Cc3ccco3)CC[C@H]12 ZINC000096057578 185077689 /nfs/dbraw/zinc/07/76/89/185077689.db2.gz GUNFPDHBYGIASN-QEJZJMRPSA-N 1 3 264.369 1.678 40 0 CDABHO CN(C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013646325 356351753 /nfs/dbraw/zinc/35/17/53/356351753.db2.gz AHMLGZWRWPOAKW-UHFFFAOYSA-N 1 3 275.396 1.574 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CC[N@H+](C)C1)C(C)C ZINC000079407688 356991554 /nfs/dbraw/zinc/99/15/54/356991554.db2.gz PQAYVJPHLNGMAE-STQMWFEESA-N 1 3 255.406 1.158 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000079407688 356991556 /nfs/dbraw/zinc/99/15/56/356991556.db2.gz PQAYVJPHLNGMAE-STQMWFEESA-N 1 3 255.406 1.158 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN ZINC000079415240 356993239 /nfs/dbraw/zinc/99/32/39/356993239.db2.gz NBLGWPXAGZFOOF-HNNXBMFYSA-N 1 3 275.396 1.458 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN ZINC000079415240 356993243 /nfs/dbraw/zinc/99/32/43/356993243.db2.gz NBLGWPXAGZFOOF-HNNXBMFYSA-N 1 3 275.396 1.458 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC([N@H+](C)C2CC2)CC1 ZINC000079419651 356994982 /nfs/dbraw/zinc/99/49/82/356994982.db2.gz AHHOULKIHKEEJZ-ZDUSSCGKSA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419651 356994985 /nfs/dbraw/zinc/99/49/85/356994985.db2.gz AHHOULKIHKEEJZ-ZDUSSCGKSA-N 1 3 253.390 1.055 40 0 CDABHO CCCC[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124245 391134844 /nfs/dbraw/zinc/13/48/44/391134844.db2.gz MVOPJMPKNCXIHX-ZDUSSCGKSA-N 1 3 255.406 1.304 40 0 CDABHO CCCC[C@@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124248 517571513 /nfs/dbraw/zinc/57/15/13/517571513.db2.gz MVOPJMPKNCXIHX-CYBMUJFWSA-N 1 3 255.406 1.304 40 0 CDABHO C[NH+](C)[C@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096047924 358706483 /nfs/dbraw/zinc/70/64/83/358706483.db2.gz SWLWRKRQWBOXQC-OAHLLOKOSA-N 1 3 275.396 1.767 40 0 CDABHO CC(C)[C@H](N)C(=O)N(CC1CC[NH+](C)CC1)C1CC1 ZINC000079407759 356991205 /nfs/dbraw/zinc/99/12/05/356991205.db2.gz CCFGBUVDMGOJFT-AWEZNQCLSA-N 1 3 267.417 1.303 40 0 CDABHO C[NH+](C)[C@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096047926 358706304 /nfs/dbraw/zinc/70/63/04/358706304.db2.gz LBODDXRRGVTJTA-OAHLLOKOSA-N 1 3 275.396 1.767 40 0 CDABHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000236724934 276056373 /nfs/dbraw/zinc/05/63/73/276056373.db2.gz MQISTURNOQKZSR-CABCVRRESA-N 1 3 275.396 1.536 40 0 CDABHO C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096047925 276846039 /nfs/dbraw/zinc/84/60/39/276846039.db2.gz SWLWRKRQWBOXQC-HNNXBMFYSA-N 1 3 275.396 1.767 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000079415440 279239664 /nfs/dbraw/zinc/23/96/64/279239664.db2.gz DYPWIISJAITNTC-HOCLYGCPSA-N 1 3 289.423 1.847 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)N ZINC000079415440 279239667 /nfs/dbraw/zinc/23/96/67/279239667.db2.gz DYPWIISJAITNTC-HOCLYGCPSA-N 1 3 289.423 1.847 40 0 CDABHO C[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404398 356990650 /nfs/dbraw/zinc/99/06/50/356990650.db2.gz KHQLSUOAUCYAAW-JSGCOSHPSA-N 1 3 261.369 1.067 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419630 358069839 /nfs/dbraw/zinc/06/98/39/358069839.db2.gz IFJINVRGEKFDBW-STQMWFEESA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419630 358069843 /nfs/dbraw/zinc/06/98/43/358069843.db2.gz IFJINVRGEKFDBW-STQMWFEESA-N 1 3 253.390 1.055 40 0 CDABHO CC[C@@H](O)[C@@H]1CCCCN1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530866 363456072 /nfs/dbraw/zinc/45/60/72/363456072.db2.gz VOJUROBBYILNPW-YESZJQIVSA-N 1 3 298.471 1.705 40 0 CDABHO CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407636 356991248 /nfs/dbraw/zinc/99/12/48/356991248.db2.gz BFZCJDZRIBIADC-IHRRRGAJSA-N 1 3 269.433 1.691 40 0 CDABHO Cc1noc(C)c1CN1CCC2(C[C@@H]([NH+](C)C)CO2)CC1 ZINC000096158614 358709917 /nfs/dbraw/zinc/70/99/17/358709917.db2.gz JCUFEXTXHPUEHP-CQSZACIVSA-N 1 3 293.411 1.977 40 0 CDABHO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN ZINC000079415164 390421459 /nfs/dbraw/zinc/42/14/59/390421459.db2.gz GEMGMSIYTUDBGY-CQSZACIVSA-N 1 3 261.369 1.068 40 0 CDABHO C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN ZINC000079415164 390421462 /nfs/dbraw/zinc/42/14/62/390421462.db2.gz GEMGMSIYTUDBGY-CQSZACIVSA-N 1 3 261.369 1.068 40 0 CDABHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000040429365 174259379 /nfs/dbraw/zinc/25/93/79/174259379.db2.gz LAARGSZUIVGPHD-AWEZNQCLSA-N 1 3 261.369 1.116 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407529 356991338 /nfs/dbraw/zinc/99/13/38/356991338.db2.gz FHSSIEWIEGGRHJ-XQQFMLRXSA-N 1 3 255.406 1.301 40 0 CDABHO C[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415357 356995274 /nfs/dbraw/zinc/99/52/74/356995274.db2.gz XFYQWHBVDUWOKS-ZFWWWQNUSA-N 1 3 275.396 1.314 40 0 CDABHO C[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415357 356995278 /nfs/dbraw/zinc/99/52/78/356995278.db2.gz XFYQWHBVDUWOKS-ZFWWWQNUSA-N 1 3 275.396 1.314 40 0 CDABHO N[C@H](c1ccccc1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225517 390623031 /nfs/dbraw/zinc/62/30/31/390623031.db2.gz DFRPKIDIUPMUER-MRXNPFEDSA-N 1 3 268.364 1.539 40 0 CDABHO c1cncc(CN2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC000096240064 265345982 /nfs/dbraw/zinc/34/59/82/265345982.db2.gz IOGOUWUMOXZMLR-UHFFFAOYSA-N 1 3 261.369 1.284 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)C(C)C ZINC000079419615 280274976 /nfs/dbraw/zinc/27/49/76/280274976.db2.gz SKLYRXLGFFAHCD-MCIONIFRSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)C(C)C ZINC000079419615 280274979 /nfs/dbraw/zinc/27/49/79/280274979.db2.gz SKLYRXLGFFAHCD-MCIONIFRSA-N 1 3 269.433 1.737 40 0 CDABHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(Br)c1 ZINC000001666578 390140264 /nfs/dbraw/zinc/14/02/64/390140264.db2.gz KOOABGSEBLNWKJ-UHFFFAOYSA-N 1 3 296.172 1.635 40 0 CDABHO CCN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407619 285022838 /nfs/dbraw/zinc/02/28/38/285022838.db2.gz GNJXIKOTGSOKCM-OLZOCXBDSA-N 1 3 255.406 1.160 40 0 CDABHO CCN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407619 285022842 /nfs/dbraw/zinc/02/28/42/285022842.db2.gz GNJXIKOTGSOKCM-OLZOCXBDSA-N 1 3 255.406 1.160 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419646 390421415 /nfs/dbraw/zinc/42/14/15/390421415.db2.gz DIMKJEAXXAXJIF-OLZOCXBDSA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419646 390421419 /nfs/dbraw/zinc/42/14/19/390421419.db2.gz DIMKJEAXXAXJIF-OLZOCXBDSA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407771 356990630 /nfs/dbraw/zinc/99/06/30/356990630.db2.gz FSLYSVPDBWEKLE-ZNMIVQPWSA-N 1 3 281.444 1.834 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C[N@H+](C)C(C)C ZINC000079419571 356995201 /nfs/dbraw/zinc/99/52/01/356995201.db2.gz ZKNRGUMMEURXAM-OLZOCXBDSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C[N@@H+](C)C(C)C ZINC000079419571 356995205 /nfs/dbraw/zinc/99/52/05/356995205.db2.gz ZKNRGUMMEURXAM-OLZOCXBDSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC000079419599 390421508 /nfs/dbraw/zinc/42/15/08/390421508.db2.gz RKKXNFFAXIAJOX-KBPBESRZSA-N 1 3 269.433 1.549 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000079419599 390421511 /nfs/dbraw/zinc/42/15/11/390421511.db2.gz RKKXNFFAXIAJOX-KBPBESRZSA-N 1 3 269.433 1.549 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@H+](C)C(C)C)C1 ZINC000079419584 356995303 /nfs/dbraw/zinc/99/53/03/356995303.db2.gz MCGFLHVDCRXJPS-OLZOCXBDSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](C)C(C)C)C1 ZINC000079419584 356995305 /nfs/dbraw/zinc/99/53/05/356995305.db2.gz MCGFLHVDCRXJPS-OLZOCXBDSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000079426707 356996794 /nfs/dbraw/zinc/99/67/94/356996794.db2.gz NFFHSAMMQNQGRC-KGLIPLIRSA-N 1 3 269.433 1.549 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000079426707 356996796 /nfs/dbraw/zinc/99/67/96/356996796.db2.gz NFFHSAMMQNQGRC-KGLIPLIRSA-N 1 3 269.433 1.549 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178261 358643307 /nfs/dbraw/zinc/64/33/07/358643307.db2.gz DMSWSUAKELNOBM-IYBDPMFKSA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178261 358643309 /nfs/dbraw/zinc/64/33/09/358643309.db2.gz DMSWSUAKELNOBM-IYBDPMFKSA-N 1 3 289.423 1.895 40 0 CDABHO CN(C)Cc1cncc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000096189459 358715988 /nfs/dbraw/zinc/71/59/88/358715988.db2.gz JPUOJIHSPDHRGS-UHFFFAOYSA-N 1 3 275.396 1.680 40 0 CDABHO CN(C)Cc1cncc2c1CC[N@H+](C1CCOCC1)C2 ZINC000096189459 358715990 /nfs/dbraw/zinc/71/59/90/358715990.db2.gz JPUOJIHSPDHRGS-UHFFFAOYSA-N 1 3 275.396 1.680 40 0 CDABHO Cc1nn(C)cc1CN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000096523712 390537331 /nfs/dbraw/zinc/53/73/31/390537331.db2.gz JKYOZRDYDLWRCY-ZDUSSCGKSA-N 1 3 250.390 1.550 40 0 CDABHO [NH3+]CCN1C(=O)OC(Cc2ccccc2Cl)C1=O ZINC000039320070 356972442 /nfs/dbraw/zinc/97/24/42/356972442.db2.gz NSEUTVOMEVBIOG-SNVBAGLBSA-N 1 3 268.700 1.189 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC000079419591 356994617 /nfs/dbraw/zinc/99/46/17/356994617.db2.gz LPIIWSPRJOHYND-KGLIPLIRSA-N 1 3 269.433 1.691 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC000079419591 356994620 /nfs/dbraw/zinc/99/46/20/356994620.db2.gz LPIIWSPRJOHYND-KGLIPLIRSA-N 1 3 269.433 1.691 40 0 CDABHO CCN1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216333 390621371 /nfs/dbraw/zinc/62/13/71/390621371.db2.gz JRNKERXKHOBHML-CQSZACIVSA-N 1 3 260.385 1.648 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415294 276142561 /nfs/dbraw/zinc/14/25/61/276142561.db2.gz CEWPVKNRKQDVMT-JKSUJKDBSA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415294 276142562 /nfs/dbraw/zinc/14/25/62/276142562.db2.gz CEWPVKNRKQDVMT-JKSUJKDBSA-N 1 3 289.423 1.895 40 0 CDABHO COC[C@H]1CN(Cc2ccccn2)CC12CC[NH+](C)CC2 ZINC000585103052 342212675 /nfs/dbraw/zinc/21/26/75/342212675.db2.gz LIJWIPIYIUBQOS-OAHLLOKOSA-N 1 3 289.423 1.872 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN ZINC000079415243 356993833 /nfs/dbraw/zinc/99/38/33/356993833.db2.gz NBLGWPXAGZFOOF-OAHLLOKOSA-N 1 3 275.396 1.458 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN ZINC000079415243 356993839 /nfs/dbraw/zinc/99/38/39/356993839.db2.gz NBLGWPXAGZFOOF-OAHLLOKOSA-N 1 3 275.396 1.458 40 0 CDABHO C(OC[C@@H]1CN(CC2CC2)C[C@@]12CC[NH2+]C2)C1CC1 ZINC000306135678 374970301 /nfs/dbraw/zinc/97/03/01/374970301.db2.gz OXNUHKWLCVMNJY-HOTGVXAUSA-N 1 3 264.413 1.735 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC000079419596 390421827 /nfs/dbraw/zinc/42/18/27/390421827.db2.gz RKKXNFFAXIAJOX-KGLIPLIRSA-N 1 3 269.433 1.549 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC000079419596 390421829 /nfs/dbraw/zinc/42/18/29/390421829.db2.gz RKKXNFFAXIAJOX-KGLIPLIRSA-N 1 3 269.433 1.549 40 0 CDABHO COc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000218871293 333137678 /nfs/dbraw/zinc/13/76/78/333137678.db2.gz FNVWYGBIEXEYCD-STQMWFEESA-N 1 3 264.369 1.716 40 0 CDABHO OCC[N@@H+]1CC[C@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993205 /nfs/dbraw/zinc/99/32/05/356993205.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 1 3 274.408 1.965 40 0 CDABHO OCC[N@H+]1CC[C@H](CN(Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993207 /nfs/dbraw/zinc/99/32/07/356993207.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 1 3 274.408 1.965 40 0 CDABHO Cc1cc([C@H](N)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000072222543 390622882 /nfs/dbraw/zinc/62/28/82/390622882.db2.gz SQZUXRSLMMUMSE-MRXNPFEDSA-N 1 3 282.391 1.848 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C1CC1)C1CCC([NH+](C)C)CC1 ZINC000079407765 390820367 /nfs/dbraw/zinc/82/03/67/390820367.db2.gz YVXAUXLXZNYEJP-PIMMBPRGSA-N 1 3 281.444 1.834 40 0 CDABHO COc1c2c(c([C@@H](C)[NH3+])c3c1CN(C)CC3)OCO2 ZINC000242548037 391942785 /nfs/dbraw/zinc/94/27/85/391942785.db2.gz KZXTZZCMYAOSHW-MRVPVSSYSA-N 1 3 264.325 1.432 40 0 CDABHO [NH3+]C/C=C\COc1cc(CN2CCCCC2)ccn1 ZINC000026892909 171501924 /nfs/dbraw/zinc/50/19/24/171501924.db2.gz LSWHRGCYVNXXLD-DJWKRKHSSA-N 1 3 261.369 1.961 40 0 in-vitro CDABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000100177603 358642991 /nfs/dbraw/zinc/64/29/91/358642991.db2.gz AVBMFYNMCVGMCZ-CWRNSKLLSA-N 1 3 289.423 1.893 40 0 CDABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000100177603 358642996 /nfs/dbraw/zinc/64/29/96/358642996.db2.gz AVBMFYNMCVGMCZ-CWRNSKLLSA-N 1 3 289.423 1.893 40 0 CDABHO CCOC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884207 361661735 /nfs/dbraw/zinc/66/17/35/361661735.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 1 3 280.412 1.888 40 0 CDABHO CCOC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884207 361661740 /nfs/dbraw/zinc/66/17/40/361661740.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 1 3 280.412 1.888 40 0 CDABHO Cc1cc([C@@H](N)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000072222544 390623106 /nfs/dbraw/zinc/62/31/06/390623106.db2.gz SQZUXRSLMMUMSE-INIZCTEOSA-N 1 3 282.391 1.848 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000079426710 280271775 /nfs/dbraw/zinc/27/17/75/280271775.db2.gz NFFHSAMMQNQGRC-KBPBESRZSA-N 1 3 269.433 1.549 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000079426710 280271779 /nfs/dbraw/zinc/27/17/79/280271779.db2.gz NFFHSAMMQNQGRC-KBPBESRZSA-N 1 3 269.433 1.549 40 0 CDABHO OCCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990081 /nfs/dbraw/zinc/99/00/81/356990081.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 1 3 274.408 1.965 40 0 CDABHO OCCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990084 /nfs/dbraw/zinc/99/00/84/356990084.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 1 3 274.408 1.965 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177534 280271724 /nfs/dbraw/zinc/27/17/24/280271724.db2.gz JSFZYVRNEPPVHN-XQQFMLRXSA-N 1 3 255.406 1.301 40 0 CDABHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000002556638 356084680 /nfs/dbraw/zinc/08/46/80/356084680.db2.gz GOWRWGKBZOPGCT-AWEZNQCLSA-N 1 3 257.337 1.845 40 0 in-vitro CDABHO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415513 356995510 /nfs/dbraw/zinc/99/55/10/356995510.db2.gz DKEAUQXYWFHRRV-GOEBONIOSA-N 1 3 289.423 1.845 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415513 356995514 /nfs/dbraw/zinc/99/55/14/356995514.db2.gz DKEAUQXYWFHRRV-GOEBONIOSA-N 1 3 289.423 1.845 40 0 CDABHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C)CC2)CC1 ZINC000096260817 358729552 /nfs/dbraw/zinc/72/95/52/358729552.db2.gz BXZXWXLUHUGMMP-UHFFFAOYSA-N 1 3 267.417 1.271 40 0 CDABHO CC[NH2+]CC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000162279285 371276942 /nfs/dbraw/zinc/27/69/42/371276942.db2.gz AILDBYOVXGCLFX-GFCCVEGCSA-N 1 3 255.406 1.208 40 0 CDABHO CCOC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884185 361661400 /nfs/dbraw/zinc/66/14/00/361661400.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 1 3 280.412 1.888 40 0 CDABHO CCOC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884185 361661409 /nfs/dbraw/zinc/66/14/09/361661409.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 1 3 280.412 1.888 40 0 CDABHO C[N@H+](Cc1ccccc1)C1CCC(NC(=O)CN)CC1 ZINC000079415220 356993149 /nfs/dbraw/zinc/99/31/49/356993149.db2.gz NRVJIGPEPQOZII-UHFFFAOYSA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)C1CCC(NC(=O)CN)CC1 ZINC000079415220 356993153 /nfs/dbraw/zinc/99/31/53/356993153.db2.gz NRVJIGPEPQOZII-UHFFFAOYSA-N 1 3 275.396 1.505 40 0 CDABHO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CN ZINC000079404176 177478535 /nfs/dbraw/zinc/47/85/35/177478535.db2.gz MFKGPEYGLGRIDV-UHFFFAOYSA-N 1 3 275.396 1.316 40 0 CDABHO C[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000079415393 356994788 /nfs/dbraw/zinc/99/47/88/356994788.db2.gz JOOJYLKRGFGZJI-AWEZNQCLSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000079415393 356994792 /nfs/dbraw/zinc/99/47/92/356994792.db2.gz JOOJYLKRGFGZJI-AWEZNQCLSA-N 1 3 289.423 1.704 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079415468 356995247 /nfs/dbraw/zinc/99/52/47/356995247.db2.gz PVIIIXQVYWHOCM-HOCLYGCPSA-N 1 3 289.423 1.847 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079415468 356995251 /nfs/dbraw/zinc/99/52/51/356995251.db2.gz PVIIIXQVYWHOCM-HOCLYGCPSA-N 1 3 289.423 1.847 40 0 CDABHO CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404227 356989572 /nfs/dbraw/zinc/98/95/72/356989572.db2.gz FBTPCJVPZGJPPR-INIZCTEOSA-N 1 3 289.423 1.706 40 0 CDABHO CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404227 356989574 /nfs/dbraw/zinc/98/95/74/356989574.db2.gz FBTPCJVPZGJPPR-INIZCTEOSA-N 1 3 289.423 1.706 40 0 CDABHO CC(C)[C@H](N)C(=O)NC1CCC([N@H+](C)C2CC2)CC1 ZINC000079419672 356994861 /nfs/dbraw/zinc/99/48/61/356994861.db2.gz UDUWAYCDQYFANT-YIZWMMSDSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)NC1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419672 356994865 /nfs/dbraw/zinc/99/48/65/356994865.db2.gz UDUWAYCDQYFANT-YIZWMMSDSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN ZINC000079424351 356996699 /nfs/dbraw/zinc/99/66/99/356996699.db2.gz ITJOLDJGJYZJFD-MRXNPFEDSA-N 1 3 289.423 1.847 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN ZINC000079424351 356996703 /nfs/dbraw/zinc/99/67/03/356996703.db2.gz ITJOLDJGJYZJFD-MRXNPFEDSA-N 1 3 289.423 1.847 40 0 CDABHO CC1CC[NH+](CCCNC(=O)C2CCN(C)CC2)CC1 ZINC000072817075 357852141 /nfs/dbraw/zinc/85/21/41/357852141.db2.gz WMKUCZYACUQDMT-UHFFFAOYSA-N 1 3 281.444 1.566 40 0 CDABHO [NH3+]CCN1CC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079414711 358070070 /nfs/dbraw/zinc/07/00/70/358070070.db2.gz AMWDPMTZSPEQQU-INIZCTEOSA-N 1 3 259.397 1.684 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C ZINC000079419593 390421791 /nfs/dbraw/zinc/42/17/91/390421791.db2.gz LPIIWSPRJOHYND-KBPBESRZSA-N 1 3 269.433 1.691 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C ZINC000079419593 390421793 /nfs/dbraw/zinc/42/17/93/390421793.db2.gz LPIIWSPRJOHYND-KBPBESRZSA-N 1 3 269.433 1.691 40 0 CDABHO CCN1CCC[C@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000046087457 175391706 /nfs/dbraw/zinc/39/17/06/175391706.db2.gz WXKCFHMOMCMXJD-INIZCTEOSA-N 1 3 292.379 1.352 40 0 CDABHO O[C@H]1CC[NH2+]CC12CCN(Cc1ccccc1)CC2 ZINC000096949617 185138403 /nfs/dbraw/zinc/13/84/03/185138403.db2.gz WLTDPHYLZCPVBG-HNNXBMFYSA-N 1 3 260.381 1.623 40 0 CDABHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)N ZINC000157279375 188308105 /nfs/dbraw/zinc/30/81/05/188308105.db2.gz CWNFSNWVWZFQLI-LBPRGKRZSA-N 1 3 263.385 1.444 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404428 356990617 /nfs/dbraw/zinc/99/06/17/356990617.db2.gz LCVCIUWYMTZNGL-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404428 356990621 /nfs/dbraw/zinc/99/06/21/356990621.db2.gz LCVCIUWYMTZNGL-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404432 356991367 /nfs/dbraw/zinc/99/13/67/356991367.db2.gz LCVCIUWYMTZNGL-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404432 356991370 /nfs/dbraw/zinc/99/13/70/356991370.db2.gz LCVCIUWYMTZNGL-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO NC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000192546189 378199807 /nfs/dbraw/zinc/19/98/07/378199807.db2.gz ALGNQLMLAXQSGJ-JKSUJKDBSA-N 1 3 283.375 1.708 40 0 CDABHO CCN(CC)CCOC(=O)OCC[NH+](CC)CC ZINC000001634188 355943204 /nfs/dbraw/zinc/94/32/04/355943204.db2.gz XFZGERCUSZURML-UHFFFAOYSA-N 1 3 260.378 1.823 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415361 356994500 /nfs/dbraw/zinc/99/45/00/356994500.db2.gz DTZIWVGVIOYQRB-ZFWWWQNUSA-N 1 3 275.396 1.457 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415361 356994501 /nfs/dbraw/zinc/99/45/01/356994501.db2.gz DTZIWVGVIOYQRB-ZFWWWQNUSA-N 1 3 275.396 1.457 40 0 CDABHO CC1(C)C[C@H]2[C@H](CCCN2C(=O)[C@@H](N)CCCC[NH3+])O1 ZINC000585284938 342258641 /nfs/dbraw/zinc/25/86/41/342258641.db2.gz KLAHWLAEJMRMNR-AVGNSLFASA-N 1 3 283.416 1.001 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079424358 356996173 /nfs/dbraw/zinc/99/61/73/356996173.db2.gz QMJDPZMDTXDMJT-INIZCTEOSA-N 1 3 289.423 1.847 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079424358 356996175 /nfs/dbraw/zinc/99/61/75/356996175.db2.gz QMJDPZMDTXDMJT-INIZCTEOSA-N 1 3 289.423 1.847 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419674 280274778 /nfs/dbraw/zinc/27/47/78/280274778.db2.gz KADWGGGIEDKWBM-RDBSUJKOSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419674 280274779 /nfs/dbraw/zinc/27/47/79/280274779.db2.gz KADWGGGIEDKWBM-RDBSUJKOSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407360 356991059 /nfs/dbraw/zinc/99/10/59/356991059.db2.gz NQRYKVZMTLREBU-XQQFMLRXSA-N 1 3 255.406 1.443 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415368 356994910 /nfs/dbraw/zinc/99/49/10/356994910.db2.gz DTZIWVGVIOYQRB-DZGCQCFKSA-N 1 3 275.396 1.457 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415368 356994915 /nfs/dbraw/zinc/99/49/15/356994915.db2.gz DTZIWVGVIOYQRB-DZGCQCFKSA-N 1 3 275.396 1.457 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)C(C)C ZINC000079419609 356995740 /nfs/dbraw/zinc/99/57/40/356995740.db2.gz SKLYRXLGFFAHCD-RDBSUJKOSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)C(C)C ZINC000079419609 356995743 /nfs/dbraw/zinc/99/57/43/356995743.db2.gz SKLYRXLGFFAHCD-RDBSUJKOSA-N 1 3 269.433 1.737 40 0 CDABHO CN1CCCSCCSCCCN(CC[NH3+])CC1 ZINC000068604366 357651878 /nfs/dbraw/zinc/65/18/78/357651878.db2.gz BCTAYSPMRGUONE-UHFFFAOYSA-N 1 3 291.530 1.439 40 0 CDABHO Cc1ccc(CN2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)o1 ZINC000306129794 374968556 /nfs/dbraw/zinc/96/85/56/374968556.db2.gz INCAULLNBVFCDO-NWANDNLSSA-N 1 3 264.369 1.596 40 0 CDABHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000078489920 177346846 /nfs/dbraw/zinc/34/68/46/177346846.db2.gz RZJPCLLSSRXAQM-UHFFFAOYSA-N 1 3 278.400 1.644 40 0 CDABHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc12 ZINC000002561079 355975151 /nfs/dbraw/zinc/97/51/51/355975151.db2.gz MNDZVJYQUMPBPZ-LBPRGKRZSA-N 1 3 289.335 1.106 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407756 356991460 /nfs/dbraw/zinc/99/14/60/356991460.db2.gz HFXAYLSFHRGMQL-JSGCOSHPSA-N 1 3 267.417 1.303 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407756 356991463 /nfs/dbraw/zinc/99/14/63/356991463.db2.gz HFXAYLSFHRGMQL-JSGCOSHPSA-N 1 3 267.417 1.303 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247982703 280271732 /nfs/dbraw/zinc/27/17/32/280271732.db2.gz JSFZYVRNEPPVHN-AVGNSLFASA-N 1 3 255.406 1.301 40 0 CDABHO Cc1cc(N2CC[NH2+]CC2)ncc1[C@H](N)c1ccccc1 ZINC000072223585 390624095 /nfs/dbraw/zinc/62/40/95/390624095.db2.gz KSVWHRNYMDXNNQ-QGZVFWFLSA-N 1 3 282.391 1.848 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000101674799 342558284 /nfs/dbraw/zinc/55/82/84/342558284.db2.gz IVYFRJJQWNLGJP-HUUCEWRRSA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000101674799 342558285 /nfs/dbraw/zinc/55/82/85/342558285.db2.gz IVYFRJJQWNLGJP-HUUCEWRRSA-N 1 3 275.396 1.505 40 0 CDABHO CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404225 356989490 /nfs/dbraw/zinc/98/94/90/356989490.db2.gz FBTPCJVPZGJPPR-MRXNPFEDSA-N 1 3 289.423 1.706 40 0 CDABHO CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404225 356989495 /nfs/dbraw/zinc/98/94/95/356989495.db2.gz FBTPCJVPZGJPPR-MRXNPFEDSA-N 1 3 289.423 1.706 40 0 CDABHO CCN(Cc1ccccc1)C[C@H]1CC[N@H+](CCO)C1 ZINC000079414196 356993531 /nfs/dbraw/zinc/99/35/31/356993531.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 1 3 262.397 1.823 40 0 CDABHO CCN(Cc1ccccc1)C[C@H]1CC[N@@H+](CCO)C1 ZINC000079414196 356993534 /nfs/dbraw/zinc/99/35/34/356993534.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 1 3 262.397 1.823 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407786 177480785 /nfs/dbraw/zinc/48/07/85/177480785.db2.gz FSLYSVPDBWEKLE-ILXRZTDVSA-N 1 3 281.444 1.834 40 0 CDABHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079404457 356990756 /nfs/dbraw/zinc/99/07/56/356990756.db2.gz UMNSMOBBLNWFMH-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)N ZINC000079404457 356990761 /nfs/dbraw/zinc/99/07/61/356990761.db2.gz UMNSMOBBLNWFMH-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)N ZINC000079404445 356991493 /nfs/dbraw/zinc/99/14/93/356991493.db2.gz BNANVLOATIXYEH-GOEBONIOSA-N 1 3 289.423 1.847 40 0 CDABHO CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)N ZINC000079404445 356991498 /nfs/dbraw/zinc/99/14/98/356991498.db2.gz BNANVLOATIXYEH-GOEBONIOSA-N 1 3 289.423 1.847 40 0 CDABHO [NH3+]CCN1CC[C@@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079414705 356993707 /nfs/dbraw/zinc/99/37/07/356993707.db2.gz AMWDPMTZSPEQQU-MRXNPFEDSA-N 1 3 259.397 1.684 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC000079419588 356995582 /nfs/dbraw/zinc/99/55/82/356995582.db2.gz AZIOBCCNGZCONM-ZDUSSCGKSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000079419588 356995586 /nfs/dbraw/zinc/99/55/86/356995586.db2.gz AZIOBCCNGZCONM-ZDUSSCGKSA-N 1 3 255.406 1.301 40 0 CDABHO CN(C)CCN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096244960 358724817 /nfs/dbraw/zinc/72/48/17/358724817.db2.gz OXCHXDUTNLUEKY-JSGCOSHPSA-N 1 3 293.436 1.200 40 0 CDABHO CN(C)CCN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096244960 358724820 /nfs/dbraw/zinc/72/48/20/358724820.db2.gz OXCHXDUTNLUEKY-JSGCOSHPSA-N 1 3 293.436 1.200 40 0 CDABHO CCn1cc(CN(C)CC2CC[NH2+]CC2)c(C)n1 ZINC000096523717 390537578 /nfs/dbraw/zinc/53/75/78/390537578.db2.gz JIRQHKHOSMSMND-UHFFFAOYSA-N 1 3 250.390 1.643 40 0 CDABHO NCC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404322 356990701 /nfs/dbraw/zinc/99/07/01/356990701.db2.gz BLLNROWNDWTVEO-UHFFFAOYSA-N 1 3 287.407 1.601 40 0 CDABHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN ZINC000079415204 356993289 /nfs/dbraw/zinc/99/32/89/356993289.db2.gz DCCQCYZGIHGECG-HNNXBMFYSA-N 1 3 275.396 1.458 40 0 CDABHO C[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN ZINC000079415204 356993292 /nfs/dbraw/zinc/99/32/92/356993292.db2.gz DCCQCYZGIHGECG-HNNXBMFYSA-N 1 3 275.396 1.458 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000079415284 356995063 /nfs/dbraw/zinc/99/50/63/356995063.db2.gz YBYCDZHSBRPVFW-MRXNPFEDSA-N 1 3 289.423 1.706 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000079415284 356995066 /nfs/dbraw/zinc/99/50/66/356995066.db2.gz YBYCDZHSBRPVFW-MRXNPFEDSA-N 1 3 289.423 1.706 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079415265 356995536 /nfs/dbraw/zinc/99/55/36/356995536.db2.gz ATQPZMKWHFWLKT-HNNXBMFYSA-N 1 3 275.396 1.458 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079415265 356995541 /nfs/dbraw/zinc/99/55/41/356995541.db2.gz ATQPZMKWHFWLKT-HNNXBMFYSA-N 1 3 275.396 1.458 40 0 CDABHO COC[C@@H]1CC2(CN1Cc1ccncc1)CC[NH2+]CC2 ZINC000096220505 358722944 /nfs/dbraw/zinc/72/29/44/358722944.db2.gz UOWRBZQEVDGVEY-HNNXBMFYSA-N 1 3 275.396 1.672 40 0 CDABHO CN(C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809033 256875937 /nfs/dbraw/zinc/87/59/37/256875937.db2.gz CQHCNKFJLPHUHS-ZIAGYGMSSA-N 1 3 261.369 1.158 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+](C)C2CC2)C1 ZINC000079419658 390420979 /nfs/dbraw/zinc/42/09/79/390420979.db2.gz DESYOLJQOWRHMA-OCCSQVGLSA-N 1 3 267.417 1.303 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](C)C2CC2)C1 ZINC000079419658 390420981 /nfs/dbraw/zinc/42/09/81/390420981.db2.gz DESYOLJQOWRHMA-OCCSQVGLSA-N 1 3 267.417 1.303 40 0 CDABHO Cc1nn(C)cc1CN(C)CCC1CC[NH2+]CC1 ZINC000096523709 390537723 /nfs/dbraw/zinc/53/77/23/390537723.db2.gz FKOAWUQHOFZTPF-UHFFFAOYSA-N 1 3 250.390 1.550 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415277 356994764 /nfs/dbraw/zinc/99/47/64/356994764.db2.gz YBYCDZHSBRPVFW-INIZCTEOSA-N 1 3 289.423 1.706 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415277 356994767 /nfs/dbraw/zinc/99/47/67/356994767.db2.gz YBYCDZHSBRPVFW-INIZCTEOSA-N 1 3 289.423 1.706 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079424354 356996284 /nfs/dbraw/zinc/99/62/84/356996284.db2.gz QMJDPZMDTXDMJT-MRXNPFEDSA-N 1 3 289.423 1.847 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079424354 356996289 /nfs/dbraw/zinc/99/62/89/356996289.db2.gz QMJDPZMDTXDMJT-MRXNPFEDSA-N 1 3 289.423 1.847 40 0 CDABHO CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCNC2 ZINC000257288479 190026737 /nfs/dbraw/zinc/02/67/37/190026737.db2.gz PUISHZVIYUKBBV-BZUAXINKSA-N 1 3 273.380 1.158 40 0 CDABHO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCNC2 ZINC000257288479 190026738 /nfs/dbraw/zinc/02/67/38/190026738.db2.gz PUISHZVIYUKBBV-BZUAXINKSA-N 1 3 273.380 1.158 40 0 CDABHO N=C1NC(=[NH2+])N(c2ccc(O)cc2)C2(CCCCC2)N1 ZINC000000269193 303360039 /nfs/dbraw/zinc/36/00/39/303360039.db2.gz PVXSMHGBXBWSFK-UHFFFAOYSA-N 1 3 273.340 1.502 40 0 CDABHO CN1CC[C@@H]2O[C@H](COCC3CC[NH+](C)CC3)CC[C@@H]21 ZINC000096186109 358714380 /nfs/dbraw/zinc/71/43/80/358714380.db2.gz FJOVNAVYMZEDGW-JYJNAYRXSA-N 1 3 282.428 1.597 40 0 CDABHO Cc1cc(N2CC[NH2+]CC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223586 390624237 /nfs/dbraw/zinc/62/42/37/390624237.db2.gz KSVWHRNYMDXNNQ-KRWDZBQOSA-N 1 3 282.391 1.848 40 0 CDABHO N[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000237967203 131069508 /nfs/dbraw/zinc/06/95/08/131069508.db2.gz LIONXARLQBUDBF-WDVRLDOZSA-N 1 3 287.407 1.723 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000079407672 280271813 /nfs/dbraw/zinc/27/18/13/280271813.db2.gz QZAGKHDAUDASEO-STQMWFEESA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000079407672 280271815 /nfs/dbraw/zinc/27/18/15/280271815.db2.gz QZAGKHDAUDASEO-STQMWFEESA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079428764 356996361 /nfs/dbraw/zinc/99/63/61/356996361.db2.gz SJQREJMGAVCABO-MRXNPFEDSA-N 1 3 289.423 1.704 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079428764 356996364 /nfs/dbraw/zinc/99/63/64/356996364.db2.gz SJQREJMGAVCABO-MRXNPFEDSA-N 1 3 289.423 1.704 40 0 CDABHO COC[C@H]1CC2(CN1Cc1ccncc1)CC[NH2+]CC2 ZINC000096220507 358723228 /nfs/dbraw/zinc/72/32/28/358723228.db2.gz UOWRBZQEVDGVEY-OAHLLOKOSA-N 1 3 275.396 1.672 40 0 CDABHO CC(C)CN1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000096260818 358729465 /nfs/dbraw/zinc/72/94/65/358729465.db2.gz FKEUGMLSKYTUCJ-UHFFFAOYSA-N 1 3 295.471 1.907 40 0 CDABHO NCC(=O)N1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393809 390421216 /nfs/dbraw/zinc/42/12/16/390421216.db2.gz NACRROLINSVOBU-HNNXBMFYSA-N 1 3 273.380 1.211 40 0 CDABHO NCC(=O)N1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393809 390421220 /nfs/dbraw/zinc/42/12/20/390421220.db2.gz NACRROLINSVOBU-HNNXBMFYSA-N 1 3 273.380 1.211 40 0 CDABHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000236727286 391271677 /nfs/dbraw/zinc/27/16/77/391271677.db2.gz MQISTURNOQKZSR-GJZGRUSLSA-N 1 3 275.396 1.536 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404646 356991438 /nfs/dbraw/zinc/99/14/38/356991438.db2.gz WBPPPFVISLBPTQ-HOTGVXAUSA-N 1 3 289.423 1.703 40 0 CDABHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415194 356993381 /nfs/dbraw/zinc/99/33/81/356993381.db2.gz RXDQJWUAYAOUJX-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415194 356993385 /nfs/dbraw/zinc/99/33/85/356993385.db2.gz RXDQJWUAYAOUJX-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096047927 358706342 /nfs/dbraw/zinc/70/63/42/358706342.db2.gz LBODDXRRGVTJTA-HNNXBMFYSA-N 1 3 275.396 1.767 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419687 390422627 /nfs/dbraw/zinc/42/26/27/390422627.db2.gz KADWGGGIEDKWBM-MJBXVCDLSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419687 390422630 /nfs/dbraw/zinc/42/26/30/390422630.db2.gz KADWGGGIEDKWBM-MJBXVCDLSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C)C1CCC([NH+](C)C)CC1 ZINC000079407525 356991256 /nfs/dbraw/zinc/99/12/56/356991256.db2.gz JSFZYVRNEPPVHN-BPCQOVAHSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407538 356991454 /nfs/dbraw/zinc/99/14/54/356991454.db2.gz FHSSIEWIEGGRHJ-AVGNSLFASA-N 1 3 255.406 1.301 40 0 CDABHO Cc1ccc(CN2CC[C@H]3[C@H](C[NH+](C)C)OC[C@H]3C2)o1 ZINC000096056202 185077817 /nfs/dbraw/zinc/07/78/17/185077817.db2.gz XFNHQIQBYLBFQW-BMFZPTHFSA-N 1 3 278.396 1.987 40 0 CDABHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC3)CC2)CC1 ZINC000096087193 185093533 /nfs/dbraw/zinc/09/35/33/185093533.db2.gz DJXSCQGTDGUQSP-UHFFFAOYSA-N 1 3 293.455 1.851 40 0 CDABHO CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407355 356991161 /nfs/dbraw/zinc/99/11/61/356991161.db2.gz NQRYKVZMTLREBU-YNEHKIRRSA-N 1 3 255.406 1.443 40 0 CDABHO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000079415197 356993785 /nfs/dbraw/zinc/99/37/85/356993785.db2.gz RXDQJWUAYAOUJX-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO C[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000079415197 356993787 /nfs/dbraw/zinc/99/37/87/356993787.db2.gz RXDQJWUAYAOUJX-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO CCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)C(C)C ZINC000079407626 356991221 /nfs/dbraw/zinc/99/12/21/356991221.db2.gz CJRDMNKKDMPNQO-ZDUSSCGKSA-N 1 3 255.406 1.160 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415429 356995699 /nfs/dbraw/zinc/99/56/99/356995699.db2.gz BDCXFJSOHIWZJA-DZGCQCFKSA-N 1 3 275.396 1.457 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415429 356995703 /nfs/dbraw/zinc/99/57/03/356995703.db2.gz BDCXFJSOHIWZJA-DZGCQCFKSA-N 1 3 275.396 1.457 40 0 CDABHO CC[NH+]1CCC(N2CC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331858 190035613 /nfs/dbraw/zinc/03/56/13/190035613.db2.gz XUOQPVZQBYEZEG-ZDUSSCGKSA-N 1 3 262.401 1.992 40 0 CDABHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1 ZINC000078489906 177346920 /nfs/dbraw/zinc/34/69/20/177346920.db2.gz UVGIJVUWMVUHNJ-UHFFFAOYSA-N 1 3 296.390 1.783 40 0 CDABHO C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096047911 185073368 /nfs/dbraw/zinc/07/33/68/185073368.db2.gz XJQITKDXYMENBJ-AWEZNQCLSA-N 1 3 264.369 1.965 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407548 356991548 /nfs/dbraw/zinc/99/15/48/356991548.db2.gz FHSSIEWIEGGRHJ-AGIUHOORSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN)C1 ZINC000079428767 356996428 /nfs/dbraw/zinc/99/64/28/356996428.db2.gz SJQREJMGAVCABO-INIZCTEOSA-N 1 3 289.423 1.704 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN)C1 ZINC000079428767 356996433 /nfs/dbraw/zinc/99/64/33/356996433.db2.gz SJQREJMGAVCABO-INIZCTEOSA-N 1 3 289.423 1.704 40 0 CDABHO CN(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809030 357009815 /nfs/dbraw/zinc/00/98/15/357009815.db2.gz CQHCNKFJLPHUHS-KGLIPLIRSA-N 1 3 261.369 1.158 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000037028195 367279043 /nfs/dbraw/zinc/27/90/43/367279043.db2.gz XKZKAPZLJSQVNX-GJZGRUSLSA-N 1 3 275.396 1.360 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419644 390421401 /nfs/dbraw/zinc/42/14/01/390421401.db2.gz DIMKJEAXXAXJIF-STQMWFEESA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419644 390421403 /nfs/dbraw/zinc/42/14/03/390421403.db2.gz DIMKJEAXXAXJIF-STQMWFEESA-N 1 3 253.390 1.055 40 0 CDABHO NCC(=O)N1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391047 356987939 /nfs/dbraw/zinc/98/79/39/356987939.db2.gz JBCDRSFUECHREK-UHFFFAOYSA-N 1 3 287.407 1.601 40 0 CDABHO NCC(=O)N1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391047 356987943 /nfs/dbraw/zinc/98/79/43/356987943.db2.gz JBCDRSFUECHREK-UHFFFAOYSA-N 1 3 287.407 1.601 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079415303 356995095 /nfs/dbraw/zinc/99/50/95/356995095.db2.gz RNAALBWXNHNBFM-OAHLLOKOSA-N 1 3 275.396 1.457 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079415303 356995098 /nfs/dbraw/zinc/99/50/98/356995098.db2.gz RNAALBWXNHNBFM-OAHLLOKOSA-N 1 3 275.396 1.457 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419657 356995523 /nfs/dbraw/zinc/99/55/23/356995523.db2.gz TUDSHIUJGSBKAG-KBPBESRZSA-N 1 3 267.417 1.445 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419657 356995526 /nfs/dbraw/zinc/99/55/26/356995526.db2.gz TUDSHIUJGSBKAG-KBPBESRZSA-N 1 3 267.417 1.445 40 0 CDABHO [NH3+]C/C=C/COc1cc(CN2CCCCC2)ccn1 ZINC000021991875 356594201 /nfs/dbraw/zinc/59/42/01/356594201.db2.gz LSWHRGCYVNXXLD-GORDUTHDSA-N 1 3 261.369 1.961 40 0 CDABHO NCC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391046 356988021 /nfs/dbraw/zinc/98/80/21/356988021.db2.gz SXQUPPKJTQSBEQ-INIZCTEOSA-N 1 3 287.407 1.601 40 0 CDABHO NCC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391046 356988023 /nfs/dbraw/zinc/98/80/23/356988023.db2.gz SXQUPPKJTQSBEQ-INIZCTEOSA-N 1 3 287.407 1.601 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407718 390421386 /nfs/dbraw/zinc/42/13/86/390421386.db2.gz PRJMJGMJLBWXKD-OLZOCXBDSA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000079407718 390421388 /nfs/dbraw/zinc/42/13/88/390421388.db2.gz PRJMJGMJLBWXKD-OLZOCXBDSA-N 1 3 253.390 1.055 40 0 CDABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000079415408 278224128 /nfs/dbraw/zinc/22/41/28/278224128.db2.gz CUEGXVIPFGXYJP-IMJJTQAJSA-N 1 3 289.423 1.893 40 0 CDABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415408 278224130 /nfs/dbraw/zinc/22/41/30/278224130.db2.gz CUEGXVIPFGXYJP-IMJJTQAJSA-N 1 3 289.423 1.893 40 0 CDABHO CN[C@@H](CC[NH+]1CCCCC1)CN1CCCCC1 ZINC000019366566 356482821 /nfs/dbraw/zinc/48/28/21/356482821.db2.gz RUXWKZUHMGQHFE-HNNXBMFYSA-N 1 3 253.434 1.936 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)N ZINC000079415445 356994693 /nfs/dbraw/zinc/99/46/93/356994693.db2.gz DYPWIISJAITNTC-GOEBONIOSA-N 1 3 289.423 1.847 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)N ZINC000079415445 356994697 /nfs/dbraw/zinc/99/46/97/356994697.db2.gz DYPWIISJAITNTC-GOEBONIOSA-N 1 3 289.423 1.847 40 0 CDABHO [NH3+]C[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 ZINC000257333149 190035854 /nfs/dbraw/zinc/03/58/54/190035854.db2.gz YAIZNRFPKAGNKO-UKMLZYKCSA-N 1 3 276.380 1.238 40 0 CDABHO NC[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257333149 190035855 /nfs/dbraw/zinc/03/58/55/190035855.db2.gz YAIZNRFPKAGNKO-UKMLZYKCSA-N 1 3 276.380 1.238 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404409 356991401 /nfs/dbraw/zinc/99/14/01/356991401.db2.gz UNAUYYTYCINVCX-DZGCQCFKSA-N 1 3 275.396 1.314 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404409 356991404 /nfs/dbraw/zinc/99/14/04/356991404.db2.gz UNAUYYTYCINVCX-DZGCQCFKSA-N 1 3 275.396 1.314 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079415307 356995289 /nfs/dbraw/zinc/99/52/89/356995289.db2.gz RNAALBWXNHNBFM-HNNXBMFYSA-N 1 3 275.396 1.457 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079415307 356995293 /nfs/dbraw/zinc/99/52/93/356995293.db2.gz RNAALBWXNHNBFM-HNNXBMFYSA-N 1 3 275.396 1.457 40 0 CDABHO CC(C)N(C(=O)[C@H](C)N)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177557 358642490 /nfs/dbraw/zinc/64/24/90/358642490.db2.gz AJXJXDRRDOUBQC-RWMBFGLXSA-N 1 3 255.406 1.443 40 0 CDABHO C[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000079404391 356991053 /nfs/dbraw/zinc/99/10/53/356991053.db2.gz HPPNPJWXXDDVMH-ZDUSSCGKSA-N 1 3 275.396 1.362 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242463814 364518978 /nfs/dbraw/zinc/51/89/78/364518978.db2.gz DMSWSUAKELNOBM-WKILWMFISA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242463814 364518986 /nfs/dbraw/zinc/51/89/86/364518986.db2.gz DMSWSUAKELNOBM-WKILWMFISA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+]1CC[C@@H](N[C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406643 374300072 /nfs/dbraw/zinc/30/00/72/374300072.db2.gz WMZPXJDZGQYJMN-USXIJHARSA-N 1 3 276.424 1.910 40 0 CDABHO CC[N@H+]1CC[C@@H](N[C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406643 374300078 /nfs/dbraw/zinc/30/00/78/374300078.db2.gz WMZPXJDZGQYJMN-USXIJHARSA-N 1 3 276.424 1.910 40 0 CDABHO CC[NH+]1CCC(N2CC[C@@]3(CCCO3)[C@@H](OC)C2)CC1 ZINC000257287538 190027069 /nfs/dbraw/zinc/02/70/69/190027069.db2.gz PQJYONPTTNBLHK-HOTGVXAUSA-N 1 3 282.428 1.741 40 0 CDABHO CC[C@@H](O)[C@@H]1CCCCN1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424714 391190339 /nfs/dbraw/zinc/19/03/39/391190339.db2.gz VOJUROBBYILNPW-IXDOHACOSA-N 1 3 298.471 1.705 40 0 CDABHO N[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000247115422 131101623 /nfs/dbraw/zinc/10/16/23/131101623.db2.gz ZRMZHXKNEGKTNI-FPCVCCKLSA-N 1 3 287.407 1.723 40 0 CDABHO CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242688581 261268182 /nfs/dbraw/zinc/26/81/82/261268182.db2.gz VTNGBOCVETVMKR-IHRRRGAJSA-N 1 3 269.433 1.691 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419682 280275087 /nfs/dbraw/zinc/27/50/87/280275087.db2.gz KADWGGGIEDKWBM-MCIONIFRSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419682 280275088 /nfs/dbraw/zinc/27/50/88/280275088.db2.gz KADWGGGIEDKWBM-MCIONIFRSA-N 1 3 267.417 1.491 40 0 CDABHO OC[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484363 230381001 /nfs/dbraw/zinc/38/10/01/230381001.db2.gz CTUMWRFFXBTOBG-IXDOHACOSA-N 1 3 274.408 1.979 40 0 CDABHO OC[C@@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484363 230381002 /nfs/dbraw/zinc/38/10/02/230381002.db2.gz CTUMWRFFXBTOBG-IXDOHACOSA-N 1 3 274.408 1.979 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415179 356993343 /nfs/dbraw/zinc/99/33/43/356993343.db2.gz BNOOOCKULLHMKA-CQSZACIVSA-N 1 3 261.369 1.068 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079415179 356993347 /nfs/dbraw/zinc/99/33/47/356993347.db2.gz BNOOOCKULLHMKA-CQSZACIVSA-N 1 3 261.369 1.068 40 0 CDABHO COc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000218871368 377965530 /nfs/dbraw/zinc/96/55/30/377965530.db2.gz FNVWYGBIEXEYCD-CHWSQXEVSA-N 1 3 264.369 1.716 40 0 CDABHO Cn1ccc(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)n1 ZINC000227220875 140183244 /nfs/dbraw/zinc/18/32/44/140183244.db2.gz WQOWSBRSMYISFG-LSDHHAIUSA-N 1 3 256.353 1.697 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079415229 356994335 /nfs/dbraw/zinc/99/43/35/356994335.db2.gz MNGJTWBDSLUSIZ-CQSZACIVSA-N 1 3 261.369 1.068 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079415229 356994338 /nfs/dbraw/zinc/99/43/38/356994338.db2.gz MNGJTWBDSLUSIZ-CQSZACIVSA-N 1 3 261.369 1.068 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)C(C)C ZINC000079419619 356995659 /nfs/dbraw/zinc/99/56/59/356995659.db2.gz SKLYRXLGFFAHCD-MJBXVCDLSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)C(C)C ZINC000079419619 356995661 /nfs/dbraw/zinc/99/56/61/356995661.db2.gz SKLYRXLGFFAHCD-MJBXVCDLSA-N 1 3 269.433 1.737 40 0 CDABHO CN(C)CCN1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096244959 358724609 /nfs/dbraw/zinc/72/46/09/358724609.db2.gz LEOFWPRQAKOLRG-KBPBESRZSA-N 1 3 293.436 1.200 40 0 CDABHO CN(C)CCN1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096244959 358724612 /nfs/dbraw/zinc/72/46/12/358724612.db2.gz LEOFWPRQAKOLRG-KBPBESRZSA-N 1 3 293.436 1.200 40 0 CDABHO C[N@@H+]1CCNC[C@@H](Cc2cccc3ncccc23)C1 ZINC000072344402 176373234 /nfs/dbraw/zinc/37/32/34/176373234.db2.gz WGNZOCVLEKSFCF-CYBMUJFWSA-N 1 3 255.365 1.929 40 0 CDABHO C[N@H+]1CCNC[C@@H](Cc2cccc3ncccc23)C1 ZINC000072344402 176373235 /nfs/dbraw/zinc/37/32/35/176373235.db2.gz WGNZOCVLEKSFCF-CYBMUJFWSA-N 1 3 255.365 1.929 40 0 CDABHO C[NH+](C)C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21 ZINC000096056207 185077605 /nfs/dbraw/zinc/07/76/05/185077605.db2.gz FXOMYHYNGLOLOG-OAGGEKHMSA-N 1 3 275.396 1.480 40 0 CDABHO CC[N@H+](Cc1ccccc1)C1CCC(NC(=O)CN)CC1 ZINC000079415289 356994588 /nfs/dbraw/zinc/99/45/88/356994588.db2.gz DMSWSUAKELNOBM-UHFFFAOYSA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C1CCC(NC(=O)CN)CC1 ZINC000079415289 356994593 /nfs/dbraw/zinc/99/45/93/356994593.db2.gz DMSWSUAKELNOBM-UHFFFAOYSA-N 1 3 289.423 1.895 40 0 CDABHO CCN1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216334 390621260 /nfs/dbraw/zinc/62/12/60/390621260.db2.gz JRNKERXKHOBHML-AWEZNQCLSA-N 1 3 260.385 1.648 40 0 CDABHO CN(C(=O)c1ccccc1C[NH3+])C1CCN(C)CC1 ZINC000082699155 178200876 /nfs/dbraw/zinc/20/08/76/178200876.db2.gz HFLXVCRRZZFZSN-UHFFFAOYSA-N 1 3 261.369 1.312 40 0 CDABHO Cn1cc(CN2CCC3(C[C@H]([NH+](C)C)CO3)CC2)cn1 ZINC000096047914 185073100 /nfs/dbraw/zinc/07/31/00/185073100.db2.gz DICRTBJQAZASMW-AWEZNQCLSA-N 1 3 278.400 1.105 40 0 CDABHO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(C(F)(F)F)cc1 ZINC000017039530 356452416 /nfs/dbraw/zinc/45/24/16/356452416.db2.gz ROTRAHDYGVFVQU-UHFFFAOYSA-N 1 3 285.273 1.891 40 0 CDABHO C[C@H]([NH3+])C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404416 356990667 /nfs/dbraw/zinc/99/06/67/356990667.db2.gz CDRBADUMCKUHRH-ZFWWWQNUSA-N 1 3 275.396 1.457 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242575091 364572863 /nfs/dbraw/zinc/57/28/63/364572863.db2.gz NRVJIGPEPQOZII-SHTZXODSSA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242575091 364572866 /nfs/dbraw/zinc/57/28/66/364572866.db2.gz NRVJIGPEPQOZII-SHTZXODSSA-N 1 3 275.396 1.505 40 0 CDABHO CC[C@@](C)([NH3+])c1c2c(c(OC)c3c1CCN(C)C3)OCO2 ZINC000242581663 391942752 /nfs/dbraw/zinc/94/27/52/391942752.db2.gz OAYXUIBAVSJKHP-MRXNPFEDSA-N 1 3 292.379 1.996 40 0 CDABHO CC[C@](C)([NH3+])c1c2c(c(OC)c3c1CCN(C)C3)OCO2 ZINC000242581661 391942939 /nfs/dbraw/zinc/94/29/39/391942939.db2.gz OAYXUIBAVSJKHP-INIZCTEOSA-N 1 3 292.379 1.996 40 0 CDABHO O=S(CCN1CCCCC1)CC[NH+]1CCCCC1 ZINC000005375615 170090470 /nfs/dbraw/zinc/09/04/70/170090470.db2.gz QNOWUBKZSXCUBD-UHFFFAOYSA-N 1 3 272.458 1.707 40 0 CDABHO [NH3+]CCN(C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393630 356990102 /nfs/dbraw/zinc/99/01/02/356990102.db2.gz DYTJPGVYXYSZBJ-INIZCTEOSA-N 1 3 259.397 1.684 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407715 390421526 /nfs/dbraw/zinc/42/15/26/390421526.db2.gz PRJMJGMJLBWXKD-STQMWFEESA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000079407715 390421528 /nfs/dbraw/zinc/42/15/28/390421528.db2.gz PRJMJGMJLBWXKD-STQMWFEESA-N 1 3 253.390 1.055 40 0 CDABHO CC(=O)N1CCC(C[NH+]2CCC(N(C)C)CC2)CC1 ZINC000225522926 375138747 /nfs/dbraw/zinc/13/87/47/375138747.db2.gz XRFJQHIHZCMWEP-UHFFFAOYSA-N 1 3 267.417 1.271 40 0 CDABHO N[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000247115441 131101203 /nfs/dbraw/zinc/10/12/03/131101203.db2.gz ZRMZHXKNEGKTNI-JJXSEGSLSA-N 1 3 287.407 1.723 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000079404601 356990888 /nfs/dbraw/zinc/99/08/88/356990888.db2.gz SACBQTCDVLXJFE-CVEARBPZSA-N 1 3 289.423 1.751 40 0 CDABHO CN(C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809028 357010174 /nfs/dbraw/zinc/01/01/74/357010174.db2.gz CQHCNKFJLPHUHS-UONOGXRCSA-N 1 3 261.369 1.158 40 0 CDABHO c1csc(CCN2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096531589 390542100 /nfs/dbraw/zinc/54/21/00/390542100.db2.gz ULARAKGPAWEQFN-UHFFFAOYSA-N 1 3 266.410 1.745 40 0 CDABHO C(C[NH+]1CCCC1)O[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1 ZINC000096057940 185078691 /nfs/dbraw/zinc/07/86/91/185078691.db2.gz HDVURFDKLVDLCZ-GVDBMIGSSA-N 1 3 294.439 1.741 40 0 CDABHO COC[C@@H]1CN(Cc2csc(C)n2)CC12CC[NH2+]CC2 ZINC000585103191 342212711 /nfs/dbraw/zinc/21/27/11/342212711.db2.gz MOHQQVYCSZSNBY-ZDUSSCGKSA-N 1 3 295.452 1.900 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]1C[N@H+](C)C(C)C ZINC000079419573 356994746 /nfs/dbraw/zinc/99/47/46/356994746.db2.gz ZKNRGUMMEURXAM-STQMWFEESA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]1C[N@@H+](C)C(C)C ZINC000079419573 356994750 /nfs/dbraw/zinc/99/47/50/356994750.db2.gz ZKNRGUMMEURXAM-STQMWFEESA-N 1 3 255.406 1.301 40 0 CDABHO C[C@]12CCCN(C(=O)CN3CCCCCC3)[C@@H]1CCC[NH2+]2 ZINC000257217856 190013679 /nfs/dbraw/zinc/01/36/79/190013679.db2.gz DAXAJDOGAHFNHU-WBVHZDCISA-N 1 3 293.455 1.996 40 0 CDABHO C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407442 390421352 /nfs/dbraw/zinc/42/13/52/390421352.db2.gz BSWXCGPEACWUEZ-CYZMBNFOSA-N 1 3 253.390 1.197 40 0 CDABHO N[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000131824647 361153168 /nfs/dbraw/zinc/15/31/68/361153168.db2.gz ZRMZHXKNEGKTNI-FZKCQIBNSA-N 1 3 287.407 1.723 40 0 CDABHO CCN(C(=O)[C@@H](N)C(C)C)C1CCC([NH+](C)C)CC1 ZINC000079407629 284202050 /nfs/dbraw/zinc/20/20/50/284202050.db2.gz VTNGBOCVETVMKR-RUXDESIVSA-N 1 3 269.433 1.691 40 0 CDABHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH2+]CC2 ZINC000306130364 374968592 /nfs/dbraw/zinc/96/85/92/374968592.db2.gz JDVZSWDXALIMCP-HNNXBMFYSA-N 1 3 275.396 1.672 40 0 CDABHO O[C@H](COCCN1CCCCC1)C[NH+]1CCCCC1 ZINC000005375582 170090514 /nfs/dbraw/zinc/09/05/14/170090514.db2.gz JVZJEPFLQGZCNM-HNNXBMFYSA-N 1 3 270.417 1.336 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)C(C)C)CC1 ZINC000100177621 358642867 /nfs/dbraw/zinc/64/28/67/358642867.db2.gz XTJQBONVYZQROW-MJBXVCDLSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)C(C)C)CC1 ZINC000100177621 358642871 /nfs/dbraw/zinc/64/28/71/358642871.db2.gz XTJQBONVYZQROW-MJBXVCDLSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826017 280271897 /nfs/dbraw/zinc/27/18/97/280271897.db2.gz SRHSRAZZEHZTDL-AWEZNQCLSA-N 1 3 269.433 1.549 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000037826017 280271899 /nfs/dbraw/zinc/27/18/99/280271899.db2.gz SRHSRAZZEHZTDL-AWEZNQCLSA-N 1 3 269.433 1.549 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404400 356990548 /nfs/dbraw/zinc/99/05/48/356990548.db2.gz IAHFZJAOBAGHAO-ZFWWWQNUSA-N 1 3 275.396 1.457 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404400 356990554 /nfs/dbraw/zinc/99/05/54/356990554.db2.gz IAHFZJAOBAGHAO-ZFWWWQNUSA-N 1 3 275.396 1.457 40 0 CDABHO C[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415353 356994831 /nfs/dbraw/zinc/99/48/31/356994831.db2.gz XFYQWHBVDUWOKS-DZGCQCFKSA-N 1 3 275.396 1.314 40 0 CDABHO C[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415353 356994835 /nfs/dbraw/zinc/99/48/35/356994835.db2.gz XFYQWHBVDUWOKS-DZGCQCFKSA-N 1 3 275.396 1.314 40 0 CDABHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)N ZINC000157279227 188308196 /nfs/dbraw/zinc/30/81/96/188308196.db2.gz CWNFSNWVWZFQLI-GFCCVEGCSA-N 1 3 263.385 1.444 40 0 CDABHO C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096224803 358722809 /nfs/dbraw/zinc/72/28/09/358722809.db2.gz GEQGELGXICCNNO-HNNXBMFYSA-N 1 3 275.396 1.767 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](C)C2CC2)C1 ZINC000079419663 390422475 /nfs/dbraw/zinc/42/24/75/390422475.db2.gz DESYOLJQOWRHMA-JSGCOSHPSA-N 1 3 267.417 1.303 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](C)C2CC2)C1 ZINC000079419663 390422479 /nfs/dbraw/zinc/42/24/79/390422479.db2.gz DESYOLJQOWRHMA-JSGCOSHPSA-N 1 3 267.417 1.303 40 0 CDABHO Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@H](C)[NH3+] ZINC000072224757 390624871 /nfs/dbraw/zinc/62/48/71/390624871.db2.gz DONRDSXCXGRWGD-LBPRGKRZSA-N 1 3 262.401 1.940 40 0 CDABHO CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404463 356990852 /nfs/dbraw/zinc/99/08/52/356990852.db2.gz FUUACBIFNCNOAE-HOCLYGCPSA-N 1 3 289.423 1.847 40 0 CDABHO C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407432 356991569 /nfs/dbraw/zinc/99/15/69/356991569.db2.gz BSWXCGPEACWUEZ-WCFLWFBJSA-N 1 3 253.390 1.197 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415227 356993095 /nfs/dbraw/zinc/99/30/95/356993095.db2.gz IVYFRJJQWNLGJP-GJZGRUSLSA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079415227 356993096 /nfs/dbraw/zinc/99/30/96/356993096.db2.gz IVYFRJJQWNLGJP-GJZGRUSLSA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN)CC1 ZINC000079415213 356994255 /nfs/dbraw/zinc/99/42/55/356994255.db2.gz YYENBZLYGLZRBG-UHFFFAOYSA-N 1 3 275.396 1.316 40 0 CDABHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN)CC1 ZINC000079415213 356994259 /nfs/dbraw/zinc/99/42/59/356994259.db2.gz YYENBZLYGLZRBG-UHFFFAOYSA-N 1 3 275.396 1.316 40 0 CDABHO COC[C@H]1CN(Cc2csc(C)n2)CC12CC[NH2+]CC2 ZINC000585103190 342212745 /nfs/dbraw/zinc/21/27/45/342212745.db2.gz MOHQQVYCSZSNBY-CYBMUJFWSA-N 1 3 295.452 1.900 40 0 CDABHO C[NH+](C)C[C@@H]1OC[C@H]2CN(Cc3ccco3)CC[C@@H]12 ZINC000096056198 185076983 /nfs/dbraw/zinc/07/69/83/185076983.db2.gz GUNFPDHBYGIASN-YUELXQCFSA-N 1 3 264.369 1.678 40 0 CDABHO CN(Cc1cccnc1)C[C@@H]1CCC2(C[NH2+]C2)OC1 ZINC000585105078 342212947 /nfs/dbraw/zinc/21/29/47/342212947.db2.gz OXSCRMXFKRBJOX-AWEZNQCLSA-N 1 3 261.369 1.282 40 0 CDABHO CC[N@H+](CCN)C1CCN(Cc2ccccc2)CC1 ZINC000079393592 356988980 /nfs/dbraw/zinc/98/89/80/356988980.db2.gz FBKBFIIZYRXNOT-UHFFFAOYSA-N 1 3 261.413 1.932 40 0 CDABHO CC[N@@H+](CCN)C1CCN(Cc2ccccc2)CC1 ZINC000079393592 356988982 /nfs/dbraw/zinc/98/89/82/356988982.db2.gz FBKBFIIZYRXNOT-UHFFFAOYSA-N 1 3 261.413 1.932 40 0 CDABHO CCN(CC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393587 356989332 /nfs/dbraw/zinc/98/93/32/356989332.db2.gz PRGIEYMFWYMHHB-MRXNPFEDSA-N 1 3 261.413 1.932 40 0 CDABHO CC(C)[C@H](N)C(=O)NC1CCC([N@H+](C)C(C)C)CC1 ZINC000079419607 356994564 /nfs/dbraw/zinc/99/45/64/356994564.db2.gz XTJQBONVYZQROW-RUXDESIVSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)NC1CCC([N@@H+](C)C(C)C)CC1 ZINC000079419607 356994568 /nfs/dbraw/zinc/99/45/68/356994568.db2.gz XTJQBONVYZQROW-RUXDESIVSA-N 1 3 269.433 1.737 40 0 CDABHO CC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406682 374300216 /nfs/dbraw/zinc/30/02/16/374300216.db2.gz WMZPXJDZGQYJMN-UAGQMJEPSA-N 1 3 276.424 1.910 40 0 CDABHO CC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406682 374300219 /nfs/dbraw/zinc/30/02/19/374300219.db2.gz WMZPXJDZGQYJMN-UAGQMJEPSA-N 1 3 276.424 1.910 40 0 CDABHO CC[C@@H](O)[C@H]1CCCCN1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530868 392101875 /nfs/dbraw/zinc/10/18/75/392101875.db2.gz VOJUROBBYILNPW-GVDBMIGSSA-N 1 3 298.471 1.705 40 0 CDABHO NCC(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391040 356988347 /nfs/dbraw/zinc/98/83/47/356988347.db2.gz MCYTZZHGCVVNPH-OAHLLOKOSA-N 1 3 287.407 1.458 40 0 CDABHO NCC(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391040 356988351 /nfs/dbraw/zinc/98/83/51/356988351.db2.gz MCYTZZHGCVVNPH-OAHLLOKOSA-N 1 3 287.407 1.458 40 0 CDABHO CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407644 284202081 /nfs/dbraw/zinc/20/20/81/284202081.db2.gz BFZCJDZRIBIADC-MCIONIFRSA-N 1 3 269.433 1.691 40 0 CDABHO Cn1ccc(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)n1 ZINC000227220877 140182690 /nfs/dbraw/zinc/18/26/90/140182690.db2.gz WQOWSBRSMYISFG-GJZGRUSLSA-N 1 3 256.353 1.697 40 0 CDABHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000236772454 278049616 /nfs/dbraw/zinc/04/96/16/278049616.db2.gz MQISTURNOQKZSR-LSDHHAIUSA-N 1 3 275.396 1.536 40 0 CDABHO COC[C@@H]1CN(Cc2ccccn2)CC12CC[NH+](C)CC2 ZINC000585103051 342212591 /nfs/dbraw/zinc/21/25/91/342212591.db2.gz LIJWIPIYIUBQOS-HNNXBMFYSA-N 1 3 289.423 1.872 40 0 CDABHO C(CCSC1=NCCN1)CCSC1=[NH+]CCN1 ZINC000001652050 355944234 /nfs/dbraw/zinc/94/42/34/355944234.db2.gz LDDVYCFIBHZIKF-UHFFFAOYSA-N 1 3 272.443 1.542 40 0 CDABHO CN1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216297 390621150 /nfs/dbraw/zinc/62/11/50/390621150.db2.gz FAKRETLRIRAJQW-AWEZNQCLSA-N 1 3 260.385 1.648 40 0 CDABHO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CCN1CCCC1)C2 ZINC000000198755 361798599 /nfs/dbraw/zinc/79/85/99/361798599.db2.gz BWPRWNIQEYRCRX-PBWFPOADSA-N 1 3 266.385 1.641 40 0 CDABHO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CCN1CCCC1)C2 ZINC000000198755 361798603 /nfs/dbraw/zinc/79/86/03/361798603.db2.gz BWPRWNIQEYRCRX-PBWFPOADSA-N 1 3 266.385 1.641 40 0 CDABHO C[NH+](C)C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12 ZINC000096056200 185078154 /nfs/dbraw/zinc/07/81/54/185078154.db2.gz MXZQRNLNMBGZRZ-KFWWJZLASA-N 1 3 264.369 1.678 40 0 CDABHO COc1ccc(CN2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)cc1 ZINC000096056656 185078241 /nfs/dbraw/zinc/07/82/41/185078241.db2.gz BWZHVECXEXVRRN-OIISXLGYSA-N 1 3 290.407 1.846 40 0 CDABHO Cc1nn(C)c(C)c1CN(C)CC1CC[NH2+]CC1 ZINC000094010748 377160210 /nfs/dbraw/zinc/16/02/10/377160210.db2.gz XTCWDYJBPJBICZ-UHFFFAOYSA-N 1 3 250.390 1.468 40 0 CDABHO NCC(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079393810 390421557 /nfs/dbraw/zinc/42/15/57/390421557.db2.gz SZWLTWOMXXCKQS-INIZCTEOSA-N 1 3 287.407 1.601 40 0 CDABHO NCC(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079393810 390421559 /nfs/dbraw/zinc/42/15/59/390421559.db2.gz SZWLTWOMXXCKQS-INIZCTEOSA-N 1 3 287.407 1.601 40 0 CDABHO Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@@H](C)[NH3+] ZINC000072223711 390624069 /nfs/dbraw/zinc/62/40/69/390624069.db2.gz JORPIOVLSQBSBJ-CYBMUJFWSA-N 1 3 262.401 1.940 40 0 CDABHO C[N@@H+]1CCNC[C@H](Cc2cccc3ncccc23)C1 ZINC000072344401 176373298 /nfs/dbraw/zinc/37/32/98/176373298.db2.gz WGNZOCVLEKSFCF-ZDUSSCGKSA-N 1 3 255.365 1.929 40 0 CDABHO C[N@H+]1CCNC[C@H](Cc2cccc3ncccc23)C1 ZINC000072344401 176373299 /nfs/dbraw/zinc/37/32/99/176373299.db2.gz WGNZOCVLEKSFCF-ZDUSSCGKSA-N 1 3 255.365 1.929 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079415184 356993721 /nfs/dbraw/zinc/99/37/21/356993721.db2.gz BNOOOCKULLHMKA-AWEZNQCLSA-N 1 3 261.369 1.068 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079415184 356993727 /nfs/dbraw/zinc/99/37/27/356993727.db2.gz BNOOOCKULLHMKA-AWEZNQCLSA-N 1 3 261.369 1.068 40 0 CDABHO COc1cccc(CN2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000306135591 374970177 /nfs/dbraw/zinc/97/01/77/374970177.db2.gz OVKBSUNBWPFUHU-USXIJHARSA-N 1 3 290.407 1.704 40 0 CDABHO [NH3+]CCN1C(=O)OC(c2ccccc2Cl)C1=O ZINC000039320068 356972049 /nfs/dbraw/zinc/97/20/49/356972049.db2.gz HBJNCPSXXKVPGQ-VIFPVBQESA-N 1 3 254.673 1.319 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)C(C)C)CC1 ZINC000242722743 364572915 /nfs/dbraw/zinc/57/29/15/364572915.db2.gz XTJQBONVYZQROW-IHRRRGAJSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)C(C)C)CC1 ZINC000242722743 364572917 /nfs/dbraw/zinc/57/29/17/364572917.db2.gz XTJQBONVYZQROW-IHRRRGAJSA-N 1 3 269.433 1.737 40 0 CDABHO CN(C)CCn1cc2[nH]c([C@@H]3CCC[NH2+]3)ccc-2c1=O ZINC000257216859 190014125 /nfs/dbraw/zinc/01/41/25/190014125.db2.gz CWJVGKOUFKUEBQ-LBPRGKRZSA-N 1 3 274.368 1.024 40 0 CDABHO C[NH+](C)[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047906 185072407 /nfs/dbraw/zinc/07/24/07/185072407.db2.gz DONXMLLLEKAQLH-CYBMUJFWSA-N 1 3 264.369 1.965 40 0 CDABHO [NH3+]CCN1C(=O)OC(Cc2ccccc2Cl)C1=O ZINC000039320072 356972135 /nfs/dbraw/zinc/97/21/35/356972135.db2.gz NSEUTVOMEVBIOG-JTQLQIEISA-N 1 3 268.700 1.189 40 0 CDABHO CCN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)N ZINC000079404441 356991304 /nfs/dbraw/zinc/99/13/04/356991304.db2.gz BNANVLOATIXYEH-HOCLYGCPSA-N 1 3 289.423 1.847 40 0 CDABHO CCN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)N ZINC000079404441 356991307 /nfs/dbraw/zinc/99/13/07/356991307.db2.gz BNANVLOATIXYEH-HOCLYGCPSA-N 1 3 289.423 1.847 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN ZINC000079415273 356995382 /nfs/dbraw/zinc/99/53/82/356995382.db2.gz WILSUSYHOSOCKQ-INIZCTEOSA-N 1 3 289.423 1.848 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN ZINC000079415273 356995384 /nfs/dbraw/zinc/99/53/84/356995384.db2.gz WILSUSYHOSOCKQ-INIZCTEOSA-N 1 3 289.423 1.848 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079415461 356995685 /nfs/dbraw/zinc/99/56/85/356995685.db2.gz PVIIIXQVYWHOCM-GOEBONIOSA-N 1 3 289.423 1.847 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079415461 356995689 /nfs/dbraw/zinc/99/56/89/356995689.db2.gz PVIIIXQVYWHOCM-GOEBONIOSA-N 1 3 289.423 1.847 40 0 CDABHO Cc1noc(C)c1CN1CCC2(C[C@H]([NH+](C)C)CO2)CC1 ZINC000096158613 358710156 /nfs/dbraw/zinc/71/01/56/358710156.db2.gz JCUFEXTXHPUEHP-AWEZNQCLSA-N 1 3 293.411 1.977 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000242437535 364519736 /nfs/dbraw/zinc/51/97/36/364519736.db2.gz CEWPVKNRKQDVMT-HZPDHXFCSA-N 1 3 289.423 1.895 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000242437535 364519739 /nfs/dbraw/zinc/51/97/39/364519739.db2.gz CEWPVKNRKQDVMT-HZPDHXFCSA-N 1 3 289.423 1.895 40 0 CDABHO COc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000218871425 377966413 /nfs/dbraw/zinc/96/64/13/377966413.db2.gz FNVWYGBIEXEYCD-OLZOCXBDSA-N 1 3 264.369 1.716 40 0 CDABHO C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404394 358069122 /nfs/dbraw/zinc/06/91/22/358069122.db2.gz KHQLSUOAUCYAAW-GXTWGEPZSA-N 1 3 261.369 1.067 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407753 358069006 /nfs/dbraw/zinc/06/90/06/358069006.db2.gz HFXAYLSFHRGMQL-OCCSQVGLSA-N 1 3 267.417 1.303 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407753 358069009 /nfs/dbraw/zinc/06/90/09/358069009.db2.gz HFXAYLSFHRGMQL-OCCSQVGLSA-N 1 3 267.417 1.303 40 0 CDABHO Cn1ccc(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)n1 ZINC000227220859 140183176 /nfs/dbraw/zinc/18/31/76/140183176.db2.gz WQOWSBRSMYISFG-HUUCEWRRSA-N 1 3 256.353 1.697 40 0 CDABHO CC(C)N(C(=O)[C@H](C)N)C1CCC([NH+](C)C)CC1 ZINC000079407344 356991026 /nfs/dbraw/zinc/99/10/26/356991026.db2.gz AJXJXDRRDOUBQC-HIFPTAJRSA-N 1 3 255.406 1.443 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079424360 356996661 /nfs/dbraw/zinc/99/66/61/356996661.db2.gz FPFBIHLEISCWHK-UHFFFAOYSA-N 1 3 289.423 1.847 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079424360 356996663 /nfs/dbraw/zinc/99/66/63/356996663.db2.gz FPFBIHLEISCWHK-UHFFFAOYSA-N 1 3 289.423 1.847 40 0 CDABHO CCn1ncc(CN(C)CC2CC[NH2+]CC2)c1C ZINC000096523715 390537783 /nfs/dbraw/zinc/53/77/83/390537783.db2.gz WFULAKVHZPTHLB-UHFFFAOYSA-N 1 3 250.390 1.643 40 0 CDABHO CC(C)N(C(=O)CN)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404262 279274304 /nfs/dbraw/zinc/27/43/04/279274304.db2.gz MPKMDYFUEMQPPD-UHFFFAOYSA-N 1 3 289.423 1.847 40 0 CDABHO Cc1ccc(CN2CC[C@@H]3[C@H](C[NH+](C)C)OC[C@@H]3C2)o1 ZINC000096057581 185077159 /nfs/dbraw/zinc/07/71/59/185077159.db2.gz XFNHQIQBYLBFQW-BPUTZDHNSA-N 1 3 278.396 1.987 40 0 CDABHO CN(Cc1cccnc1)C[C@H]1CCC2(C[NH2+]C2)OC1 ZINC000585105079 342212952 /nfs/dbraw/zinc/21/29/52/342212952.db2.gz OXSCRMXFKRBJOX-CQSZACIVSA-N 1 3 261.369 1.282 40 0 CDABHO NCC(=O)N1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391042 356988005 /nfs/dbraw/zinc/98/80/05/356988005.db2.gz MCYTZZHGCVVNPH-HNNXBMFYSA-N 1 3 287.407 1.458 40 0 CDABHO NCC(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391042 356988007 /nfs/dbraw/zinc/98/80/07/356988007.db2.gz MCYTZZHGCVVNPH-HNNXBMFYSA-N 1 3 287.407 1.458 40 0 CDABHO CCN(CCO)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393510 356988962 /nfs/dbraw/zinc/98/89/62/356988962.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 1 3 262.397 1.823 40 0 CDABHO CCN(CCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393510 356988964 /nfs/dbraw/zinc/98/89/64/356988964.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 1 3 262.397 1.823 40 0 CDABHO C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404380 356990814 /nfs/dbraw/zinc/99/08/14/356990814.db2.gz WCCKHYZJOMZFRG-ZFWWWQNUSA-N 1 3 275.396 1.362 40 0 CDABHO C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404380 356990818 /nfs/dbraw/zinc/99/08/18/356990818.db2.gz WCCKHYZJOMZFRG-ZFWWWQNUSA-N 1 3 275.396 1.362 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415452 356995596 /nfs/dbraw/zinc/99/55/96/356995596.db2.gz UHAUMLHFWZMALZ-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415452 356995600 /nfs/dbraw/zinc/99/56/00/356995600.db2.gz UHAUMLHFWZMALZ-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCCN(C)C1 ZINC000079426685 280271383 /nfs/dbraw/zinc/27/13/83/280271383.db2.gz YAMGVSKORIPUEJ-OLZOCXBDSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419678 356994998 /nfs/dbraw/zinc/99/49/98/356994998.db2.gz KADWGGGIEDKWBM-IHRRRGAJSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419678 356995002 /nfs/dbraw/zinc/99/50/02/356995002.db2.gz KADWGGGIEDKWBM-IHRRRGAJSA-N 1 3 267.417 1.491 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415384 356995434 /nfs/dbraw/zinc/99/54/34/356995434.db2.gz GQXMBPXAJSCSAO-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415384 356995436 /nfs/dbraw/zinc/99/54/36/356995436.db2.gz GQXMBPXAJSCSAO-GOEBONIOSA-N 1 3 289.423 1.704 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000100177611 358642659 /nfs/dbraw/zinc/64/26/59/358642659.db2.gz UDUWAYCDQYFANT-SCRDCRAPSA-N 1 3 267.417 1.491 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000100177611 358642664 /nfs/dbraw/zinc/64/26/64/358642664.db2.gz UDUWAYCDQYFANT-SCRDCRAPSA-N 1 3 267.417 1.491 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178275 358643481 /nfs/dbraw/zinc/64/34/81/358643481.db2.gz NRVJIGPEPQOZII-GASCZTMLSA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100178275 358643484 /nfs/dbraw/zinc/64/34/84/358643484.db2.gz NRVJIGPEPQOZII-GASCZTMLSA-N 1 3 275.396 1.505 40 0 CDABHO C[NH+](C)[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096224802 358723238 /nfs/dbraw/zinc/72/32/38/358723238.db2.gz GEQGELGXICCNNO-OAHLLOKOSA-N 1 3 275.396 1.767 40 0 CDABHO N[C@@H](c1ccccc1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225516 390622902 /nfs/dbraw/zinc/62/29/02/390622902.db2.gz DFRPKIDIUPMUER-INIZCTEOSA-N 1 3 268.364 1.539 40 0 CDABHO CC(C)N(CC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393603 356989150 /nfs/dbraw/zinc/98/91/50/356989150.db2.gz VGOUQMHKGQKVRP-MRXNPFEDSA-N 1 3 261.413 1.930 40 0 CDABHO C[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)CN ZINC000079415209 356994086 /nfs/dbraw/zinc/99/40/86/356994086.db2.gz DCCQCYZGIHGECG-OAHLLOKOSA-N 1 3 275.396 1.458 40 0 CDABHO C[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)CN ZINC000079415209 356994090 /nfs/dbraw/zinc/99/40/90/356994090.db2.gz DCCQCYZGIHGECG-OAHLLOKOSA-N 1 3 275.396 1.458 40 0 CDABHO C[C@H](N)C(=O)NC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000079415399 356995492 /nfs/dbraw/zinc/99/54/92/356995492.db2.gz AVBMFYNMCVGMCZ-JEYLPNPQSA-N 1 3 289.423 1.893 40 0 CDABHO C[C@H](N)C(=O)NC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000079415399 356995495 /nfs/dbraw/zinc/99/54/95/356995495.db2.gz AVBMFYNMCVGMCZ-JEYLPNPQSA-N 1 3 289.423 1.893 40 0 CDABHO CC[C@@H]1NC(=N)NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000001722911 355949570 /nfs/dbraw/zinc/94/95/70/355949570.db2.gz WUZZGEOZQYQDRK-SECBINFHSA-N 1 3 251.721 1.526 40 0 CDABHO CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177540 284201962 /nfs/dbraw/zinc/20/19/62/284201962.db2.gz VTNGBOCVETVMKR-MJBXVCDLSA-N 1 3 269.433 1.691 40 0 CDABHO C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000101674794 342558296 /nfs/dbraw/zinc/55/82/96/342558296.db2.gz IVYFRJJQWNLGJP-CABCVRRESA-N 1 3 275.396 1.505 40 0 CDABHO C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000101674794 342558297 /nfs/dbraw/zinc/55/82/97/342558297.db2.gz IVYFRJJQWNLGJP-CABCVRRESA-N 1 3 275.396 1.505 40 0 CDABHO CN(C)CCO[C@H]1C[N@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057458 282109752 /nfs/dbraw/zinc/10/97/52/282109752.db2.gz LYWUZFGUCGHDEK-ILXRZTDVSA-N 1 3 268.401 1.206 40 0 CDABHO CN(C)CCO[C@H]1C[N@@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057458 282109753 /nfs/dbraw/zinc/10/97/53/282109753.db2.gz LYWUZFGUCGHDEK-ILXRZTDVSA-N 1 3 268.401 1.206 40 0 CDABHO C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404412 356991270 /nfs/dbraw/zinc/99/12/70/356991270.db2.gz CDRBADUMCKUHRH-DZGCQCFKSA-N 1 3 275.396 1.457 40 0 CDABHO CC[C@@H](O)[C@H]1CCCCN1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424716 391190381 /nfs/dbraw/zinc/19/03/81/391190381.db2.gz VOJUROBBYILNPW-BRWVUGGUSA-N 1 3 298.471 1.705 40 0 CDABHO N=C1NC(=[NH2+])N(c2ccc(F)cc2)C2(CCCCC2)N1 ZINC000000203639 303359965 /nfs/dbraw/zinc/35/99/65/303359965.db2.gz LOLGTDLTPLOBDZ-UHFFFAOYSA-N 1 3 275.331 1.936 40 0 CDABHO O[C@@H]1CC[NH2+]CC12CCN(Cc1ccccc1)CC2 ZINC000096949618 185139238 /nfs/dbraw/zinc/13/92/38/185139238.db2.gz WLTDPHYLZCPVBG-OAHLLOKOSA-N 1 3 260.381 1.623 40 0 CDABHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096056481 289151659 /nfs/dbraw/zinc/15/16/59/289151659.db2.gz PQBWMHQBQAISKO-ZIAGYGMSSA-N 1 3 265.401 1.023 40 0 CDABHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096056481 289151662 /nfs/dbraw/zinc/15/16/62/289151662.db2.gz PQBWMHQBQAISKO-ZIAGYGMSSA-N 1 3 265.401 1.023 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)CN ZINC000079415275 356995261 /nfs/dbraw/zinc/99/52/61/356995261.db2.gz WILSUSYHOSOCKQ-MRXNPFEDSA-N 1 3 289.423 1.848 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)CN ZINC000079415275 356995264 /nfs/dbraw/zinc/99/52/64/356995264.db2.gz WILSUSYHOSOCKQ-MRXNPFEDSA-N 1 3 289.423 1.848 40 0 CDABHO Cc1nc(N2CC[NH2+]CC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224631 390624767 /nfs/dbraw/zinc/62/47/67/390624767.db2.gz XNRXCQRZWXWFOC-KRWDZBQOSA-N 1 3 282.391 1.848 40 0 CDABHO CC(C)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519262 358433608 /nfs/dbraw/zinc/43/36/08/358433608.db2.gz JVIPXMTUDOCJRN-UHFFFAOYSA-N 1 3 269.433 1.422 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079415248 356994637 /nfs/dbraw/zinc/99/46/37/356994637.db2.gz GMQWMYWSSNFBEC-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079415248 356994640 /nfs/dbraw/zinc/99/46/40/356994640.db2.gz GMQWMYWSSNFBEC-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCN(C)C1 ZINC000079407736 390421152 /nfs/dbraw/zinc/42/11/52/390421152.db2.gz HSYLAXVJVBRMEE-OLZOCXBDSA-N 1 3 253.390 1.055 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)C(C)C)C1 ZINC000079419579 390421683 /nfs/dbraw/zinc/42/16/83/390421683.db2.gz MJAABYHLZCPPIW-STQMWFEESA-N 1 3 255.406 1.158 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000079419579 390421686 /nfs/dbraw/zinc/42/16/86/390421686.db2.gz MJAABYHLZCPPIW-STQMWFEESA-N 1 3 255.406 1.158 40 0 CDABHO C[NH+](C)C[C@@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@H]21 ZINC000096056206 185077240 /nfs/dbraw/zinc/07/72/40/185077240.db2.gz XKAOEIOBPKMTDG-BMFZPTHFSA-N 1 3 275.396 1.480 40 0 CDABHO CC(C)C[C@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000066245084 348740720 /nfs/dbraw/zinc/74/07/20/348740720.db2.gz YHCGXUUAWAYKPO-CYBMUJFWSA-N 1 3 252.406 1.436 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)C(C)C)C1 ZINC000079419576 356995133 /nfs/dbraw/zinc/99/51/33/356995133.db2.gz MJAABYHLZCPPIW-OLZOCXBDSA-N 1 3 255.406 1.158 40 0 CDABHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)C(C)C)C1 ZINC000079419576 356995136 /nfs/dbraw/zinc/99/51/36/356995136.db2.gz MJAABYHLZCPPIW-OLZOCXBDSA-N 1 3 255.406 1.158 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)C(C)C ZINC000079419611 356995563 /nfs/dbraw/zinc/99/55/63/356995563.db2.gz SKLYRXLGFFAHCD-IHRRRGAJSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)C(C)C ZINC000079419611 356995565 /nfs/dbraw/zinc/99/55/65/356995565.db2.gz SKLYRXLGFFAHCD-IHRRRGAJSA-N 1 3 269.433 1.737 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407776 280271667 /nfs/dbraw/zinc/27/16/67/280271667.db2.gz FSLYSVPDBWEKLE-KKUMJFAQSA-N 1 3 281.444 1.834 40 0 CDABHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH2+]CC2 ZINC000306130365 374968453 /nfs/dbraw/zinc/96/84/53/374968453.db2.gz JDVZSWDXALIMCP-OAHLLOKOSA-N 1 3 275.396 1.672 40 0 CDABHO N[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000247115451 131100888 /nfs/dbraw/zinc/10/08/88/131100888.db2.gz ZRMZHXKNEGKTNI-WCVJEAGWSA-N 1 3 287.407 1.723 40 0 CDABHO NCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404305 356990590 /nfs/dbraw/zinc/99/05/90/356990590.db2.gz WPGILYVLSSJLMQ-OAHLLOKOSA-N 1 3 287.407 1.458 40 0 CDABHO NCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404305 356990595 /nfs/dbraw/zinc/99/05/95/356990595.db2.gz WPGILYVLSSJLMQ-OAHLLOKOSA-N 1 3 287.407 1.458 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN ZINC000079415309 390421174 /nfs/dbraw/zinc/42/11/74/390421174.db2.gz ITJOLDJGJYZJFD-INIZCTEOSA-N 1 3 289.423 1.847 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN ZINC000079415309 390421179 /nfs/dbraw/zinc/42/11/79/390421179.db2.gz ITJOLDJGJYZJFD-INIZCTEOSA-N 1 3 289.423 1.847 40 0 CDABHO Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@H](C)[NH3+] ZINC000072223712 390623991 /nfs/dbraw/zinc/62/39/91/390623991.db2.gz JORPIOVLSQBSBJ-ZDUSSCGKSA-N 1 3 262.401 1.940 40 0 CDABHO NCC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391044 356988634 /nfs/dbraw/zinc/98/86/34/356988634.db2.gz SXQUPPKJTQSBEQ-MRXNPFEDSA-N 1 3 287.407 1.601 40 0 CDABHO NCC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391044 356988637 /nfs/dbraw/zinc/98/86/37/356988637.db2.gz SXQUPPKJTQSBEQ-MRXNPFEDSA-N 1 3 287.407 1.601 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404645 356990512 /nfs/dbraw/zinc/99/05/12/356990512.db2.gz WBPPPFVISLBPTQ-CVEARBPZSA-N 1 3 289.423 1.703 40 0 CDABHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404606 356991094 /nfs/dbraw/zinc/99/10/94/356991094.db2.gz POTNTNYJJFONTH-HOTGVXAUSA-N 1 3 289.423 1.608 40 0 CDABHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404606 356991097 /nfs/dbraw/zinc/99/10/97/356991097.db2.gz POTNTNYJJFONTH-HOTGVXAUSA-N 1 3 289.423 1.608 40 0 CDABHO C[NH+](C)CC(C)(C)CNCCC(=O)OC(C)(C)C ZINC000047219003 357154326 /nfs/dbraw/zinc/15/43/26/357154326.db2.gz FLYMYUNKKYSENY-UHFFFAOYSA-N 1 3 258.406 1.896 40 0 CDABHO c1cnn(C[C@@H]2C[C@@H]3CNCC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC000306144542 374972439 /nfs/dbraw/zinc/97/24/39/374972439.db2.gz ZIEGDECYALJCFM-ILXRZTDVSA-N 1 3 260.385 1.346 40 0 CDABHO c1cnn(C[C@@H]2C[C@@H]3CNCC[C@@H]3[N@H+]2CC2CC2)c1 ZINC000306144542 374972448 /nfs/dbraw/zinc/97/24/48/374972448.db2.gz ZIEGDECYALJCFM-ILXRZTDVSA-N 1 3 260.385 1.346 40 0 CDABHO c1cnn(C[C@@H]2C[C@@H]3C[NH2+]CC[C@@H]3N2CC2CC2)c1 ZINC000306144542 374972457 /nfs/dbraw/zinc/97/24/57/374972457.db2.gz ZIEGDECYALJCFM-ILXRZTDVSA-N 1 3 260.385 1.346 40 0 CDABHO CCN1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216273 390621114 /nfs/dbraw/zinc/62/11/14/390621114.db2.gz GYWQMIDYYSJOCB-CQSZACIVSA-N 1 3 260.385 1.648 40 0 CDABHO CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216273 390621117 /nfs/dbraw/zinc/62/11/17/390621117.db2.gz GYWQMIDYYSJOCB-CQSZACIVSA-N 1 3 260.385 1.648 40 0 CDABHO CC[N@H+]1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216273 390621121 /nfs/dbraw/zinc/62/11/21/390621121.db2.gz GYWQMIDYYSJOCB-CQSZACIVSA-N 1 3 260.385 1.648 40 0 CDABHO C[NH2+]Cc1ccc(N2CCN(C(C)C)CC2)nc1C ZINC000072224763 390624835 /nfs/dbraw/zinc/62/48/35/390624835.db2.gz FGWRUPCXMFCITN-UHFFFAOYSA-N 1 3 262.401 1.640 40 0 CDABHO CCN1CCCC[C@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000078499881 177347534 /nfs/dbraw/zinc/34/75/34/177347534.db2.gz GSXHVJNJVVXWER-HNNXBMFYSA-N 1 3 297.443 1.088 40 0 CDABHO NC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000192546202 378200079 /nfs/dbraw/zinc/20/00/79/378200079.db2.gz ALGNQLMLAXQSGJ-HOTGVXAUSA-N 1 3 283.375 1.708 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000079407674 390421805 /nfs/dbraw/zinc/42/18/05/390421805.db2.gz QZAGKHDAUDASEO-OLZOCXBDSA-N 1 3 255.406 1.301 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+]1C)C(C)C ZINC000079407674 390421809 /nfs/dbraw/zinc/42/18/09/390421809.db2.gz QZAGKHDAUDASEO-OLZOCXBDSA-N 1 3 255.406 1.301 40 0 CDABHO C[NH+](C)C[C@H]1C[C@@H]2CN(Cc3cccs3)C[C@@H]2O1 ZINC000096100353 185097934 /nfs/dbraw/zinc/09/79/34/185097934.db2.gz OJJMXDMNLZPJHX-BZPMIXESSA-N 1 3 266.410 1.899 40 0 CDABHO CN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404167 356990146 /nfs/dbraw/zinc/99/01/46/356990146.db2.gz WMPRNLZOPOUTET-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404167 356990147 /nfs/dbraw/zinc/99/01/47/356990147.db2.gz WMPRNLZOPOUTET-HNNXBMFYSA-N 1 3 275.396 1.316 40 0 CDABHO O[C@@H](COCCN1CCCCC1)C[NH+]1CCCCC1 ZINC000005375562 170090561 /nfs/dbraw/zinc/09/05/61/170090561.db2.gz JVZJEPFLQGZCNM-OAHLLOKOSA-N 1 3 270.417 1.336 40 0 CDABHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000078499878 177347559 /nfs/dbraw/zinc/34/75/59/177347559.db2.gz GSXHVJNJVVXWER-OAHLLOKOSA-N 1 3 297.443 1.088 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000079407684 356990940 /nfs/dbraw/zinc/99/09/40/356990940.db2.gz PQAYVJPHLNGMAE-OLZOCXBDSA-N 1 3 255.406 1.158 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000079407684 356990943 /nfs/dbraw/zinc/99/09/43/356990943.db2.gz PQAYVJPHLNGMAE-OLZOCXBDSA-N 1 3 255.406 1.158 40 0 CDABHO Cc1cc(CN(C)C)cc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000225562346 375164791 /nfs/dbraw/zinc/16/47/91/375164791.db2.gz DOWRCVHKZKDWQA-UHFFFAOYSA-N 1 3 275.396 1.995 40 0 CDABHO c1cc(CN2CCOCC3(CC[NH2+]CC3)C2)ccn1 ZINC000096240065 265346222 /nfs/dbraw/zinc/34/62/22/265346222.db2.gz XAXWWRMEWBVMPM-UHFFFAOYSA-N 1 3 261.369 1.284 40 0 CDABHO C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407437 356990929 /nfs/dbraw/zinc/99/09/29/356990929.db2.gz BSWXCGPEACWUEZ-DRZSPHRISA-N 1 3 253.390 1.197 40 0 CDABHO C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407448 356991110 /nfs/dbraw/zinc/99/11/10/356991110.db2.gz BSWXCGPEACWUEZ-UHTWSYAYSA-N 1 3 253.390 1.197 40 0 CDABHO CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407646 356991426 /nfs/dbraw/zinc/99/14/26/356991426.db2.gz BFZCJDZRIBIADC-RDBSUJKOSA-N 1 3 269.433 1.691 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN)C1 ZINC000079415253 356995015 /nfs/dbraw/zinc/99/50/15/356995015.db2.gz GMQWMYWSSNFBEC-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN)C1 ZINC000079415253 356995019 /nfs/dbraw/zinc/99/50/19/356995019.db2.gz GMQWMYWSSNFBEC-OAHLLOKOSA-N 1 3 275.396 1.316 40 0 CDABHO Cc1nc(N2CC[NH2+]CC2)ccc1[C@H](N)c1ccccc1 ZINC000072224630 390625028 /nfs/dbraw/zinc/62/50/28/390625028.db2.gz XNRXCQRZWXWFOC-QGZVFWFLSA-N 1 3 282.391 1.848 40 0 CDABHO CN[C@H](CC[NH+]1CCCCC1)CN1CCCCC1 ZINC000022873544 356622635 /nfs/dbraw/zinc/62/26/35/356622635.db2.gz RUXWKZUHMGQHFE-OAHLLOKOSA-N 1 3 253.434 1.936 40 0 CDABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000079415420 356994727 /nfs/dbraw/zinc/99/47/27/356994727.db2.gz CUEGXVIPFGXYJP-NUEKZKHPSA-N 1 3 289.423 1.893 40 0 CDABHO C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415420 356994730 /nfs/dbraw/zinc/99/47/30/356994730.db2.gz CUEGXVIPFGXYJP-NUEKZKHPSA-N 1 3 289.423 1.893 40 0 CDABHO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000037028193 367279589 /nfs/dbraw/zinc/27/95/89/367279589.db2.gz XKZKAPZLJSQVNX-CABCVRRESA-N 1 3 275.396 1.360 40 0 CDABHO Cn1cccc1CN1CCOCC2(CC[NH2+]CC2)C1 ZINC000096240063 393010131 /nfs/dbraw/zinc/01/01/31/393010131.db2.gz OTRMEPZFGDVYDV-UHFFFAOYSA-N 1 3 263.385 1.227 40 0 CDABHO C[N@H+](Cc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079415188 356993134 /nfs/dbraw/zinc/99/31/34/356993134.db2.gz YPGYCYVHDNITFH-UHFFFAOYSA-N 1 3 261.369 1.068 40 0 CDABHO C[N@@H+](Cc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079415188 356993138 /nfs/dbraw/zinc/99/31/38/356993138.db2.gz YPGYCYVHDNITFH-UHFFFAOYSA-N 1 3 261.369 1.068 40 0 CDABHO C[C@H](N)C(=O)N(C1CC1)C1CCC([NH+](C)C)CC1 ZINC000079407431 278223401 /nfs/dbraw/zinc/22/34/01/278223401.db2.gz KNASPSIAHMEIJI-UNXYVOJBSA-N 1 3 253.390 1.197 40 0 CDABHO CCN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407621 285083472 /nfs/dbraw/zinc/08/34/72/285083472.db2.gz GNJXIKOTGSOKCM-STQMWFEESA-N 1 3 255.406 1.160 40 0 CDABHO CCN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](N)C(C)C ZINC000079407621 285083475 /nfs/dbraw/zinc/08/34/75/285083475.db2.gz GNJXIKOTGSOKCM-STQMWFEESA-N 1 3 255.406 1.160 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415435 276142339 /nfs/dbraw/zinc/14/23/39/276142339.db2.gz BDCXFJSOHIWZJA-ZFWWWQNUSA-N 1 3 275.396 1.457 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415435 276142340 /nfs/dbraw/zinc/14/23/40/276142340.db2.gz BDCXFJSOHIWZJA-ZFWWWQNUSA-N 1 3 275.396 1.457 40 0 CDABHO CC(C)C[C@@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000066245083 348740296 /nfs/dbraw/zinc/74/02/96/348740296.db2.gz YHCGXUUAWAYKPO-ZDUSSCGKSA-N 1 3 252.406 1.436 40 0 CDABHO CC(C)[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415509 356994655 /nfs/dbraw/zinc/99/46/55/356994655.db2.gz DKEAUQXYWFHRRV-HOCLYGCPSA-N 1 3 289.423 1.845 40 0 CDABHO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415509 356994659 /nfs/dbraw/zinc/99/46/59/356994659.db2.gz DKEAUQXYWFHRRV-HOCLYGCPSA-N 1 3 289.423 1.845 40 0 CDABHO Cc1cccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3C[NH+](C)C)C2)n1 ZINC000096187306 358715072 /nfs/dbraw/zinc/71/50/72/358715072.db2.gz NESUYBNHTHSYPB-DJIMGWMZSA-N 1 3 289.423 1.789 40 0 CDABHO C[C@H](N)C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079404435 356991213 /nfs/dbraw/zinc/99/12/13/356991213.db2.gz AXAUIOKNEDSOPZ-AWEZNQCLSA-N 1 3 289.423 1.704 40 0 CDABHO NCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404301 356991381 /nfs/dbraw/zinc/99/13/81/356991381.db2.gz WPGILYVLSSJLMQ-HNNXBMFYSA-N 1 3 287.407 1.458 40 0 CDABHO NCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404301 356991385 /nfs/dbraw/zinc/99/13/85/356991385.db2.gz WPGILYVLSSJLMQ-HNNXBMFYSA-N 1 3 287.407 1.458 40 0 CDABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000242400350 364514323 /nfs/dbraw/zinc/51/43/23/364514323.db2.gz AVBMFYNMCVGMCZ-BPUTZDHNSA-N 1 3 289.423 1.893 40 0 CDABHO C[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000242400350 364514325 /nfs/dbraw/zinc/51/43/25/364514325.db2.gz AVBMFYNMCVGMCZ-BPUTZDHNSA-N 1 3 289.423 1.893 40 0 CDABHO Cc1nn(C)cc1CN(C)CC[C@H]1CCC[NH2+]C1 ZINC000096523713 390537819 /nfs/dbraw/zinc/53/78/19/390537819.db2.gz JKYOZRDYDLWRCY-CYBMUJFWSA-N 1 3 250.390 1.550 40 0 CDABHO CCN(Cc1ccccc1)C[C@@H]1CC[N@H+](CCO)C1 ZINC000079414190 356993431 /nfs/dbraw/zinc/99/34/31/356993431.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 1 3 262.397 1.823 40 0 CDABHO CCN(Cc1ccccc1)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000079414190 356993433 /nfs/dbraw/zinc/99/34/33/356993433.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 1 3 262.397 1.823 40 0 CDABHO C[NH+](C)[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047907 185072982 /nfs/dbraw/zinc/07/29/82/185072982.db2.gz DONXMLLLEKAQLH-ZDUSSCGKSA-N 1 3 264.369 1.965 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404403 356991476 /nfs/dbraw/zinc/99/14/76/356991476.db2.gz IAHFZJAOBAGHAO-DZGCQCFKSA-N 1 3 275.396 1.457 40 0 CDABHO C[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404403 356991478 /nfs/dbraw/zinc/99/14/78/356991478.db2.gz IAHFZJAOBAGHAO-DZGCQCFKSA-N 1 3 275.396 1.457 40 0 CDABHO C[NH+](C)[C@@H]1CCO[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096206890 358719972 /nfs/dbraw/zinc/71/99/72/358719972.db2.gz KBNMEOLDUCQEMX-UKRRQHHQSA-N 1 3 264.369 1.965 40 0 CDABHO CC[N@@H+]1CC[C@@H](N[C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168954 188361600 /nfs/dbraw/zinc/36/16/00/188361600.db2.gz WMZPXJDZGQYJMN-DJIMGWMZSA-N 1 3 276.424 1.910 40 0 CDABHO CC[N@H+]1CC[C@@H](N[C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168954 188361602 /nfs/dbraw/zinc/36/16/02/188361602.db2.gz WMZPXJDZGQYJMN-DJIMGWMZSA-N 1 3 276.424 1.910 40 0 CDABHO [NH3+]CCN1C(=O)OC(c2ccccc2Cl)C1=O ZINC000039320066 356972722 /nfs/dbraw/zinc/97/27/22/356972722.db2.gz HBJNCPSXXKVPGQ-SECBINFHSA-N 1 3 254.673 1.319 40 0 CDABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415449 356994541 /nfs/dbraw/zinc/99/45/41/356994541.db2.gz UHAUMLHFWZMALZ-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079415449 356994545 /nfs/dbraw/zinc/99/45/45/356994545.db2.gz UHAUMLHFWZMALZ-HOCLYGCPSA-N 1 3 289.423 1.704 40 0 CDABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000079415425 356995466 /nfs/dbraw/zinc/99/54/66/356995466.db2.gz CUEGXVIPFGXYJP-CWRNSKLLSA-N 1 3 289.423 1.893 40 0 CDABHO C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415425 356995468 /nfs/dbraw/zinc/99/54/68/356995468.db2.gz CUEGXVIPFGXYJP-CWRNSKLLSA-N 1 3 289.423 1.893 40 0 CDABHO CN(Cc1ccccc1)C[C@@H]1CCCCN1CC[NH3+] ZINC000079414509 390421113 /nfs/dbraw/zinc/42/11/13/390421113.db2.gz FXFUTWYIESLTGP-INIZCTEOSA-N 1 3 261.413 1.932 40 0 CDABHO C[NH2+]Cc1cnc(N2CCN(C(C)C)CC2)cc1C ZINC000072223718 390623917 /nfs/dbraw/zinc/62/39/17/390623917.db2.gz KBBYKHRZMGZUTI-UHFFFAOYSA-N 1 3 262.401 1.640 40 0 CDABHO CSc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1 ZINC000001842834 274188229 /nfs/dbraw/zinc/18/82/29/274188229.db2.gz GYXWUBHCYWWAOK-UHFFFAOYSA-N 1 3 263.370 1.594 40 0 CDABHO CCN(CC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393590 356989943 /nfs/dbraw/zinc/98/99/43/356989943.db2.gz PRGIEYMFWYMHHB-INIZCTEOSA-N 1 3 261.413 1.932 40 0 CDABHO CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404461 356990963 /nfs/dbraw/zinc/99/09/63/356990963.db2.gz FUUACBIFNCNOAE-GOEBONIOSA-N 1 3 289.423 1.847 40 0 CDABHO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN)CC1 ZINC000079415287 356994846 /nfs/dbraw/zinc/99/48/46/356994846.db2.gz OGEHXQPVXHKHNA-UHFFFAOYSA-N 1 3 289.423 1.706 40 0 CDABHO CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN)CC1 ZINC000079415287 356994848 /nfs/dbraw/zinc/99/48/48/356994848.db2.gz OGEHXQPVXHKHNA-UHFFFAOYSA-N 1 3 289.423 1.706 40 0 CDABHO [NH3+]CCC1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015424003 357452466 /nfs/dbraw/zinc/45/24/66/357452466.db2.gz CEDAAUXSIKFVJY-UHFFFAOYSA-N 1 3 262.353 1.976 40 0 CDABHO CN(CCO)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000019586122 356492654 /nfs/dbraw/zinc/49/26/54/356492654.db2.gz LWPKALROSACKPT-UHFFFAOYSA-N 1 3 288.395 1.454 40 0 CDABHO CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079415232 356994303 /nfs/dbraw/zinc/99/43/03/356994303.db2.gz MNGJTWBDSLUSIZ-AWEZNQCLSA-N 1 3 261.369 1.068 40 0 CDABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079415232 356994306 /nfs/dbraw/zinc/99/43/06/356994306.db2.gz MNGJTWBDSLUSIZ-AWEZNQCLSA-N 1 3 261.369 1.068 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177633 280271925 /nfs/dbraw/zinc/27/19/25/280271925.db2.gz YVXAUXLXZNYEJP-GUTXKFCHSA-N 1 3 281.444 1.834 40 0 CDABHO CC(C)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404247 356989069 /nfs/dbraw/zinc/98/90/69/356989069.db2.gz RBWCFZVBMBVXRM-MRXNPFEDSA-N 1 3 289.423 1.704 40 0 CDABHO CC(C)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404247 356989073 /nfs/dbraw/zinc/98/90/73/356989073.db2.gz RBWCFZVBMBVXRM-MRXNPFEDSA-N 1 3 289.423 1.704 40 0 CDABHO CN(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809025 357010307 /nfs/dbraw/zinc/01/03/07/357010307.db2.gz CQHCNKFJLPHUHS-KBPBESRZSA-N 1 3 261.369 1.158 40 0 CDABHO CC(C)[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407781 280271794 /nfs/dbraw/zinc/27/17/94/280271794.db2.gz FSLYSVPDBWEKLE-KFWWJZLASA-N 1 3 281.444 1.834 40 0 CDABHO